# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-30T15:44:08+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2025 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1571675","9.189","0.0004","12.6757","0.0006","10.9694","0.0005","90","","114.013","0.002","90","","1167.1","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 N5 O4 S -","- C22 H27 N5 O4 S -","- C44 H54 N10 O8 S2 -","2","1","","Rehman, Zainab; Lubay, Jairah; Franks, W. Trent; Bartók, Albert P; Corlett, Emily K.; Nguyen, Bao; Scrivens, Garry; Samas, Brian M.; Frericks-Schmidt, Heather; Brown, Steven P.","Organic NMR crystallography: enabling progress for applications to pharmaceuticals and plant cell walls.","Faraday discussions","2025","255","0","222","243","10.1039/d4fd00088a","","","1.54178","CuKα","","0.0225","0.0217","","","0.0556","0.0561","","","","","","1.08","","","","has coordinates","298953","2025-04-05","03:26:26",""
"1571705","5.9813","0.0009","11.3702","0.0015","14.985","0.002","90","","93.681","0.008","90","","1017","0.2","100","2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","4-aminophenylalanine","","- C9 H15 N2 O3.5 -","- C9 H15 N2 O3.5 -","- C36 H60 N8 O14 -","4","2","","Ramalhete, Susana M.; Nartowski, Karol P.; Green, Hayley; Angulo, Jesús; Iuga, Dinu; Fábián, László; Lloyd, Gareth O.; Khimyak, Yaroslav Z.","Probing assembly/disassembly of ordered molecular hydrogels.","Faraday discussions","2025","255","0","495","519","10.1039/d4fd00081a","","x-ray","0.71073","MoKα","","0.069","0.0573","","","0.1576","0.1654","","","","","","1.086","","","","has coordinates,has disorder","299663","2025-05-14","10:18:00",""
"1572649","10.389","0.019","11.9401","0.003","5.201","0.004","90","","109.899","0.023","90","","606.6","1.2","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li12 Nb4 O16 -","- Li12 Nb4 O16 -","- Li24 Nb8 O32 -","2","0.25","","Ko, Sarah L.; Dorrell, Jordan A.; Morris, Andrew J.; Griffith, Kent J.","Metastable layered lithium-rich niobium and tantalum oxides <i>via</i> nearly instantaneous cation exchange.","Faraday discussions","2025","255","0","429","450","10.1039/d4fd00103f","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","298952","2025-04-05","03:26:18",""
"1572650","11.1218","0.0004","13.00203","0.00007","5.75288","0.00011","90","","109.49","0.0006","90","","784.23","0.03","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Na12 Nb4 O16 -","- Na12 Nb4 O16 -","- Na24 Nb8 O32 -","2","0.25","","Ko, Sarah L.; Dorrell, Jordan A.; Morris, Andrew J.; Griffith, Kent J.","Metastable layered lithium-rich niobium and tantalum oxides <i>via</i> nearly instantaneous cation exchange.","Faraday discussions","2025","255","0","429","450","10.1039/d4fd00103f","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","298952","2025-04-05","03:26:18",""
"1572651","11.0923","0.0005","12.97113","0.00012","5.73501","0.00016","90","","109.429","0.0007","90","","778.16","0.04","20","","20","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Na12 Nb4 O16 -","- Na12 Nb4 O16 -","- Na24 Nb8 O32 -","2","0.25","","Ko, Sarah L.; Dorrell, Jordan A.; Morris, Andrew J.; Griffith, Kent J.","Metastable layered lithium-rich niobium and tantalum oxides <i>via</i> nearly instantaneous cation exchange.","Faraday discussions","2025","255","0","429","450","10.1039/d4fd00103f","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","298952","2025-04-05","03:26:18",""
"1572652","10.362","0.015","11.9047","0.0027","5.179","0.004","90","","109.83","0.019","90","","601","1","20","","20","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li12 Nb4 O16 -","- Li12 Nb4 O16 -","- Li24 Nb8 O32 -","2","0.25","","Ko, Sarah L.; Dorrell, Jordan A.; Morris, Andrew J.; Griffith, Kent J.","Metastable layered lithium-rich niobium and tantalum oxides <i>via</i> nearly instantaneous cation exchange.","Faraday discussions","2025","255","0","429","450","10.1039/d4fd00103f","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","298952","2025-04-05","03:26:18",""
"1572854","11.2834","0.0005","13.3905","0.0005","13.4806","0.0005","113.251","0.002","105.083","0.002","98.375","0.002","1734.64","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","tetrakis(prop-2-en-1-yl) 2,2'-[thiene-2,5-diylbis(methanylylideneazanylylidene)] bis(5-aminothiophene-3,4-dicarboxylate) ethanol solvate","","- C32 H34 N4 O9 S3 -","- C32 H34 N4 O9 S3 -","- C64 H68 N8 O18 S6 -","2","1","","Mulholland, Michael E.; Filiatrault, Heather L.; Maris, Thierry; Skene, W. G.","Structural study of an electroactive allyl ester thiophenoazomethine for PDMS blending","Journal of Molecular Structure","2025","1320","","139416-1","139416-8","10.1016/j.molstruc.2024.139416","","x-ray","1.34139","GaKα","","0.0373","0.0336","","","0.0889","0.0921","","","","","","0.993","","","","has coordinates,has disorder,has Fobs","295415","2024-10-10","17:08:51",""
"1572930","14.0778","0.0003","15.5286","0.0003","31.7803","0.0004","79.873","0.001","77.515","0.001","64.584","0.002","6099.4","0.2","100","0.13","100","0.13","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C60 H72 N3 O3 Pd3 Se3 -","- C60 H72 N3 O3 Pd3 Se3 -","- C240 H288 N12 O12 Pd12 Se12 -","4","2","","Sarkar, Prasenjit; Manamel, Litty Thomas; Saha, Puranjay; Jana, Chinmay; Sarmah, Amrit; Mohanan, Kannan Udaya; Das, Bikas C.; Mukherjee, Chandan","A triradical-containing trinuclear Pd(II) complex: spin-polarized electronic transmission, analog resistive switching and neuromorphic advancements.","Materials horizons","2025","12","1","246","257","10.1039/d4mh00928b","","x-ray","0.71073","MoKα","","0.0594","0.0473","","","0.1126","0.1192","","","","","","1.045","","","","has coordinates","299160","2025-04-05","04:27:25",""
"1572973","9.2173","0.0014","9.4972","0.0011","9.5809","0.001","88.263","0.009","82.367","0.01","85.479","0.011","828.51","0.18","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C40 H42 N2 O6 -","2","1","","Fu, Shijie; Jia, Hao; Meng, Xinmiao; Wang, Chengyuan; Li, Qian; Li, Lei; Yang, Jiaxiang; Niu, Helin","Fine-tuning the molecular conformation and packing structures of coumarin-based luminogens to achieve distinct piezochromic properties upon mechanical grinding and under hydrostatic pressures.","Materials horizons","2025","12","1","293","302","10.1039/d4mh01343c","","x-ray","1.54186","CuKα","","0.0518","0.0416","","","0.1143","0.1225","","","","","","1.094","","","","has coordinates","299159","2025-04-05","04:27:09",""
"1572974","6.633","0.0006","7.5002","0.0007","17.4918","0.0016","79.488","0.007","81.308","0.007","64.528","0.007","769.83","0.13","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Fu, Shijie; Jia, Hao; Meng, Xinmiao; Wang, Chengyuan; Li, Qian; Li, Lei; Yang, Jiaxiang; Niu, Helin","Fine-tuning the molecular conformation and packing structures of coumarin-based luminogens to achieve distinct piezochromic properties upon mechanical grinding and under hydrostatic pressures.","Materials horizons","2025","12","1","293","302","10.1039/d4mh01343c","","","1.54186","CuKα","","0.0993","0.0894","","","0.284","0.288","","","","","","1.202","","","","has coordinates","299159","2025-04-05","04:27:09",""
"1572975","11.443","0.0008","13.277","0.0008","10.8931","0.0008","90","","99.297","0.006","90","","1633.24","0.19","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Fu, Shijie; Jia, Hao; Meng, Xinmiao; Wang, Chengyuan; Li, Qian; Li, Lei; Yang, Jiaxiang; Niu, Helin","Fine-tuning the molecular conformation and packing structures of coumarin-based luminogens to achieve distinct piezochromic properties upon mechanical grinding and under hydrostatic pressures.","Materials horizons","2025","12","1","293","302","10.1039/d4mh01343c","","x-ray","1.54186","CuKα","","0.0407","0.0342","","","0.092","0.0954","","","","","","1.049","","","","has coordinates","299159","2025-04-05","04:27:09",""
"1572976","6.4917","0.0018","19.911","0.006","12.759","0.004","90","","90.73","0.02","90","","1649","0.9","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Fu, Shijie; Jia, Hao; Meng, Xinmiao; Wang, Chengyuan; Li, Qian; Li, Lei; Yang, Jiaxiang; Niu, Helin","Fine-tuning the molecular conformation and packing structures of coumarin-based luminogens to achieve distinct piezochromic properties upon mechanical grinding and under hydrostatic pressures.","Materials horizons","2025","12","1","293","302","10.1039/d4mh01343c","","x-ray","1.54186","CuKα","","0.0517","0.0343","","","0.0788","0.0857","","","","","","1.017","","","","has coordinates","299159","2025-04-05","04:27:09",""
"1573032","4.8827","0.0002","10.6999","0.0004","29.5508","0.0011","90","","90","","90","","1543.86","0.1","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","0.5","","Pinson, Dana M.; Eckstrom, Francesca D.; Ostrom, Gregory S.; Randall McClain, K.; Baldwin, Lawrence C.; Harvey, Benjamin G.","[Ru]-Catalyzed olefin metathesis and ethenolysis for the synthesis and recycling of bio-based polycarbonates and polycyanurates","Polymer Chemistry","2025","16","2","133","148","10.1039/D4PY00940A","","","1.54178","CuKα","","0.0318","0.0307","","","0.0805","0.0824","","","","","","1.095","","","","has coordinates","299152","2025-04-05","04:25:08",""
"1573033","15.9421","0.0005","8.679","0.0003","13.2926","0.0004","90","","101.624","0.001","90","","1801.46","0.1","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C84 H88 O20 -","4","0.5","","Pinson, Dana M.; Eckstrom, Francesca D.; Ostrom, Gregory S.; Randall McClain, K.; Baldwin, Lawrence C.; Harvey, Benjamin G.","[Ru]-Catalyzed olefin metathesis and ethenolysis for the synthesis and recycling of bio-based polycarbonates and polycyanurates","Polymer Chemistry","2025","16","2","133","148","10.1039/D4PY00940A","","","0.71073","MoKα","","0.034","0.0287","","","0.0721","0.0787","","","","","","1.0918","","","","has coordinates","299152","2025-04-05","04:25:12",""
"1573034","13.0353","0.0005","11.7214","0.0005","20.182","0.0008","90","","107.691","0.001","90","","2937.8","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 N3 O6 -","- C33 H33 N3 O6 -","- C132 H132 N12 O24 -","4","1","","Pinson, Dana M.; Eckstrom, Francesca D.; Ostrom, Gregory S.; Randall McClain, K.; Baldwin, Lawrence C.; Harvey, Benjamin G.","[Ru]-Catalyzed olefin metathesis and ethenolysis for the synthesis and recycling of bio-based polycarbonates and polycyanurates","Polymer Chemistry","2025","16","2","133","148","10.1039/D4PY00940A","","","0.71073","MoKα","","0.0828","0.0665","","","0.1694","0.1828","","","","","","1.061","","","","has coordinates","299152","2025-04-05","04:25:12",""
"1573045","13.37","0.006","15.247","0.008","16.3","0.006","87.59","0.02","75.11","0.02","79.81","0.02","3161","2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H44 B Cl4 F20 N O P2 -","- C66 H44 B Cl4 F20 N O P2 -","- C132 H88 B2 Cl8 F40 N2 O2 P4 -","2","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0714","0.059","","","0.1533","0.1614","","","","","","1.023","","","","has coordinates,has disorder","298114","2025-03-04","19:12:16",""
"1573046","10.1018","0.0013","31.87","0.006","18.321","0.003","90","","92.637","0.015","90","","5892.1","1.7","120","2","120","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C63 H48 B Cl2 F20 N O P2 -","- C63 H48 B Cl2 F20 N O P2 -","- C252 H192 B4 Cl8 F80 N4 O4 P8 -","4","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0812","0.0422","","","0.0886","0.1055","","","","","","1.068","","","","has coordinates","298114","2025-03-04","19:12:34",""
"1573047","13.124","0.008","16.183","0.014","17.493","0.013","110.67","0.03","95.58","0.02","113.696","0.018","3057","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H42 B F20 N O P2 -","- C65 H42 B F20 N O P2 -","- C130 H84 B2 F40 N2 O2 P4 -","2","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0862","0.0512","","","0.1253","0.1461","","","","","","1.015","","","","has coordinates","298114","2025-03-04","19:12:34",""
"1573048","12.944","0.005","13.582","0.004","19.223","0.007","103.948","0.013","103.841","0.014","97.75","0.013","3117.5","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H34 Cl2 N O P2 -","- C32.5 H34 Cl2 N O P2 -","- C130 H136 Cl8 N4 O4 P8 -","4","2","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0684","0.0565","","","0.1423","0.1546","","","","","","1.089","","","","has coordinates,has disorder","298114","2025-03-04","19:12:34",""
"1573049","14.195","0.007","15.574","0.007","16.591","0.008","82.59","0.02","77.118","0.018","64.527","0.016","3226","3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H48 B Cl2 F20 N O P2 -","- C71 H48 B Cl2 F20 N O P2 -","- C142 H96 B2 Cl4 F40 N2 O2 P4 -","2","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.07","0.0494","","","0.1215","0.1345","","","","","","1.056","","","","has coordinates,has disorder","298114","2025-03-04","19:12:34",""
"1573050","13.127","0.004","16.617","0.004","17.814","0.006","114.495","0.014","98.862","0.018","91.899","0.018","3473.5","1.8","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H58 B Cl4 F20 N O P2 -","- C71 H58 B Cl4 F20 N O P2 -","- C142 H116 B2 Cl8 F40 N2 O2 P4 -","2","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0624","0.0509","","","0.1314","0.1416","","","","","","1.032","","","","has coordinates,has disorder","298114","2025-03-04","19:12:34",""
"1573051","20.836","0.013","18.713","0.009","29.74","0.014","90","","90","","90","","11596","11","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H34 Al F36 N O5 P2 -","- C48 H34 Al F36 N O5 P2 -","- C384 H272 Al8 F288 N8 O40 P16 -","8","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0659","0.0445","","","0.1137","0.1326","","","","","","1.018","","","","has coordinates,has disorder","298114","2025-03-04","19:12:34",""
"1573052","11.884","0.003","16.729","0.004","31.882","0.007","90","","96.442","0.009","90","","6298","3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H40 B F20 N O2 P2 -","- C63 H40 B F20 N O2 P2 -","- C252 H160 B4 F80 N4 O8 P8 -","4","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0432","0.0384","","","0.102","0.1066","","","","","","1.032","","","","has coordinates","298114","2025-03-04","19:12:34",""
"1573053","50.046","0.015","10.705","0.004","27.527","0.008","90","","123.266","0.007","90","","12331","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H42 B F20 N O2 P2 -","- C64 H42 B F20 N O2 P2 -","- C512 H336 B8 F160 N8 O16 P16 -","8","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0487","0.0394","","","0.0989","0.1066","","","","","","1.037","","","","has coordinates","298114","2025-03-04","19:12:34",""
"1573160","17.2516","0.0002","17.2516","0.0002","47.4743","0.0008","90","","90","","90","","14129.2","0.3","100","0.1","100","0.1","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C84 H100 Ga2 N4 -","- C84 H100 Ga2 N4 -","- C672 H800 Ga16 N32 -","8","0.5","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","0.71073","MoKα","","0.0442","0.0336","","","0.078","0.0826","","","","","","1.109","","","","has coordinates","298088","2025-03-04","18:55:54",""
"1573161","19.4377","0.0004","19.6182","0.0004","19.7964","0.0005","90","","100.679","0.002","90","","7418.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H78 F16 Ga2 N4 -","- C80 H78 F16 Ga2 N4 -","- C320 H312 F64 Ga8 N16 -","4","1","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","1.54184","CuKα","","0.0728","0.0522","","","0.1232","0.135","","","","","","1.026","","","","has coordinates","298088","2025-03-04","18:55:55",""
"1573162","10.8571","0.0002","14.302","0.0003","25.6182","0.0005","98.115","0.002","96.616","0.002","102.807","0.002","3795.66","0.14","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C82.88 H87 Fe1.97 Ga2 I0.06 N4 O7.88 -","- C82.8744 H87 Fe1.9686 Ga2 I0.0628 N4 O7.8744 -","- C165.749 H174 Fe3.9372 Ga4 I0.1256 N8 O15.7488 -","2","1","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","1.54184","CuKα","","0.0405","0.0373","","","0.0994","0.1027","","","","","","1.021","","","","has coordinates,has disorder","298088","2025-03-04","18:55:55",""
"1573163","10.3023","0.0008","18.4534","0.0013","20.0384","0.0016","90","","103.039","0.007","90","","3711.3","0.5","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H90 Cl4 Ga2 N4 -","- C66 H78 Cl4 Ga2 N4 -","- C132 H156 Cl8 Ga4 N8 -","2","0.5","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","0.71073","MoKα","","0.0577","0.0447","","","0.1139","0.1219","","","","","","1.044","","","","has coordinates","298088","2025-03-04","18:55:55",""
"1573164","12.7988","0.0007","14.6243","0.0007","18.1282","0.0009","80.487","0.004","79.632","0.004","85.811","0.004","3288.5","0.3","220","0.1","220","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C73 H86 Ga2 N4 -","- C66 H78 Ga2 N4 -","- C132 H156 Ga4 N8 -","2","1","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","0.71073","MoKα","","0.1001","0.0645","","","0.1573","0.1789","","","","","","1.031","","","","has coordinates,has disorder","298088","2025-03-04","18:55:55",""
"1573165","10.5694","0.0001","12.1801","0.0001","13.6704","0.0001","101.963","0.001","98.911","0.001","107.53","0.001","1596.52","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H78 Ga2 I4 N4 -","- C66 H78 Ga2 I4 N4 -","- C66 H78 Ga2 I4 N4 -","1","0.5","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","0.71073","MoKα","","0.0228","0.018","","","0.0365","0.0385","","","","","","1.0511","","","","has coordinates","298088","2025-03-04","18:55:55",""
"1573166","21.1589","0.0005","19.2641","0.0004","19.4975","0.0004","90","","91.377","0.002","90","","7945","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H88 F12 Ga2 N6 -","- C76 H78 F10 Ga2 N6 -","- C304 H312 F40 Ga8 N24 -","4","0.5","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","0.71073","MoKα","","0.0712","0.0675","","","0.1644","0.1664","","","","","","1.174","","","","has coordinates,has disorder","298088","2025-03-04","18:55:55",""
"1573171","24.815","0.0006","24.815","0.0006","66.157","0.003","90","","90","","120","","35281","2","140","","140","","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C144 H84 Cu16 F54 N12 P3 S25 -","- C144 H84 Cu16 F54 N12 P3 S25 -","- C864 H504 Cu96 F324 N72 P18 S150 -","6","0.333333","","Kumar, Shibaditya; Mishra, Saikat; Das, Aniruddha; Mahiya, Kuldeep; Laha, Sourav; Maji, Milan; Patra, Apurba K.","Analogous copper nanoclusters (Cu<sub>16/17</sub>) with two electron superatomic and mixed valence copper(II)/copper(I) and copper(I)/copper(0) characters.","Nanoscale","2025","17","2","982","991","10.1039/d4nr03578j","","","1.54178","CuKα","","0.1364","0.0687","","","0.1748","0.2248","","","","","","0.984","","","","has coordinates,has disorder","298973","2025-04-05","03:32:27",""
"1573172","39.487","0.009","20.216","0.003","31.428","0.005","90","","113.044","0.007","90","","23086","7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C212 H172 Cl Cu16 F36 N12 O4 S25 -","- C184 H140 Cl Cu16 F36 N12 O4 S25 -","- C736 H560 Cl4 Cu64 F144 N48 O16 S100 -","4","0.5","","Kumar, Shibaditya; Mishra, Saikat; Das, Aniruddha; Mahiya, Kuldeep; Laha, Sourav; Maji, Milan; Patra, Apurba K.","Analogous copper nanoclusters (Cu<sub>16/17</sub>) with two electron superatomic and mixed valence copper(II)/copper(I) and copper(I)/copper(0) characters.","Nanoscale","2025","17","2","982","991","10.1039/d4nr03578j","","","0.71073","MoKα","","0.2096","0.1103","","","0.2912","0.3271","","","","","","1.028","","","","has coordinates,has disorder","298973","2025-04-05","03:32:27",""
"1573173","24.8645","0.0011","24.8645","0.0011","66.598","0.006","90","","90","","120","","35658","4","150","2","150","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C163 H113 Cu17 F54 N13 O2 P3 S24 -","- C162.998 H112.997 Cu17 F54 N12.9999 O1.9998 P3 S24 -","- C977.989 H677.983 Cu102 F324 N77.9994 O11.9988 P18 S144 -","6","0.333333","","Kumar, Shibaditya; Mishra, Saikat; Das, Aniruddha; Mahiya, Kuldeep; Laha, Sourav; Maji, Milan; Patra, Apurba K.","Analogous copper nanoclusters (Cu<sub>16/17</sub>) with two electron superatomic and mixed valence copper(II)/copper(I) and copper(I)/copper(0) characters.","Nanoscale","2025","17","2","982","991","10.1039/d4nr03578j","","","0.71073","MoKα","","0.0767","0.0554","","","0.1437","0.1587","","","","","","1.103","","","","has coordinates,has disorder","298973","2025-04-05","03:32:27",""
"1573192","4.5384","0.0003","20.439","0.005","13.531","0.002","90","","97.006","0.008","90","","1245.8","0.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","1","LQ5058","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.1725","0.0598","","","0.1446","0.1958","","","","","","0.901","","","","has coordinates","296004","2024-11-20","02:47:53",""
"1573193","4.2338","0.0002","19.838","0.004","12.9059","0.001","90","","95.613","0.005","90","","1078.8","0.2","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","1","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.1103","0.0691","","","0.2176","0.2431","","","","","","0.978","","","","has coordinates","296004","2024-11-20","02:47:55",""
"1573194","3.5971","0.0001","21.658","0.009","12.7908","0.0009","90","","95.339","0.005","90","","992.2","0.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","1","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.0851","0.0519","","","0.1414","0.16","","","","","","0.959","","","","has coordinates","296004","2024-11-20","02:48:01",""
"1573195","3.4912","0.0001","12.687","0.003","21.531","0.006","91.51","0.02","90.434","0.009","95.82","0.008","948.4","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","2","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.1058","0.0628","","","0.1419","0.1645","","","","","","0.957","","","","has coordinates","296004","2024-11-20","02:48:13",""
"1573196","3.4134","0.0001","12.5674","0.0019","21.367","0.005","91.675","0.015","90.433","0.007","95.755","0.006","911.5","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","2","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.077","0.0509","","","0.1288","0.143","","","","","","0.949","","","","has coordinates","296004","2024-11-20","02:48:23",""
"1573197","3.3501","0.0001","12.453","0.002","21.244","0.005","91.709","0.018","90.417","0.008","95.599","0.007","881.6","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","2","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.0806","0.0574","","","0.1517","0.1677","","","","","","0.972","","","","has coordinates","296004","2024-11-20","02:48:36",""
"1573198","3.2931","0.0002","12.347","0.004","21.133","0.007","91.42","0.03","90.439","0.011","95.29","0.011","855.3","0.4","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","2","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.127","0.0763","","","0.1988","0.2308","","","","","","1.005","","","","has coordinates","296004","2024-11-20","02:48:41",""
"1573199","3.1883","0.0004","12.1605","0.0018","20.825","0.006","91.99","0.02","90.297","0.018","95.206","0.011","803.6","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","2","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.0869","0.0631","","","0.1837","0.2107","","","","","","0.986","","","","has coordinates","296004","2024-11-20","02:48:48",""
"1573200","3.1077","0.0004","11.995","0.002","20.571","0.008","91.56","0.03","89.92","0.03","95.171","0.013","763.4","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","2","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.1824","0.1427","","","0.324","0.364","","","","","","1.677","","","","has coordinates","296004","2024-11-20","02:49:00",""
"1573201","7.1494","0.00018","10.9139","0.0003","17.7592","0.0005","90","","102.584","0.003","90","","1352.42","0.07","109.99","0.12","109.99","0.12","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Makal, A.","Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.","IUCrJ","2025","12","1","","","10.1107/S2052252524010443","","x-ray","1.54184","CuKα","","0.0287","0.0229","","","0.0543","0.0567","","","","","","1.0543","","","","has coordinates","296005","2024-11-20","02:49:56",""
"1573202","7.17156","0.00018","10.9455","0.0003","17.7694","0.0005","90","","102.742","0.003","90","","1360.48","0.07","150.06","0.1","150.06","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Makal, A.","Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.","IUCrJ","2025","12","1","","","10.1107/S2052252524010443","","x-ray","1.54184","CuKα","","0.0318","0.0251","","","0.0499","0.0522","","","","","","1.091","","","","has coordinates","296005","2024-11-20","02:49:58",""
"1573203","7.1945","0.0002","10.9948","0.0003","17.7698","0.0005","90","","102.926","0.003","90","","1370.01","0.07","190","0.1","190","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Makal, A.","Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.","IUCrJ","2025","12","1","","","10.1107/S2052252524010443","","x-ray","1.54184","CuKα","","0.0277","0.0221","","","0.0532","0.0555","","","","","","1.0974","","","","has coordinates","296005","2024-11-20","02:50:05",""
"1573204","7.2211","0.0002","11.0779","0.0003","17.7769","0.0005","90","","103.161","0.003","90","","1384.7","0.07","250","0.1","250","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Makal, A.","Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.","IUCrJ","2025","12","1","","","10.1107/S2052252524010443","","x-ray","1.54184","CuKα","","0.0319","0.0245","","","0.0524","0.0552","","","","","","1.0489","","","","has coordinates","296005","2024-11-20","02:50:11",""
"1573205","7.2277","0.0006","11.248","0.0009","17.7562","0.0014","90","","103.578","0.008","90","","1403.2","0.2","290","0.1","290","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Makal, A.","Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.","IUCrJ","2025","12","1","","","10.1107/S2052252524010443","","x-ray","1.54184","CuKα","","0.0794","0.0373","","","0.077","0.12","","","","","","1.0195","","","","has coordinates","296005","2024-11-20","02:50:12",""
"1573206","7.2522","0.0005","11.4389","0.0008","17.705","0.0013","90","","104.385","0.007","90","","1422.71","0.18","350","0.1","350","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Makal, A.","Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.","IUCrJ","2025","12","1","","","10.1107/S2052252524010443","","x-ray","1.54184","CuKα","","0.0785","0.0418","","","0.1036","0.1345","","","","","","1.0112","","","","has coordinates","296005","2024-11-20","02:50:14",""
"1573216","10.8995","0.0005","16.7093","0.0008","13.8142","0.0006","90","","108.662","0.002","90","","2383.61","0.19","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Cu2 I3 N5 O -","- C17 H24 Cu2 I3 N5 O -","- C68 H96 Cu8 I12 N20 O4 -","4","1","","Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing","Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains.","Chemical science","2025","16","3","1106","1114","10.1039/d4sc06242f","","","0.71073","MoKα","","0.0753","0.054","","","0.1045","0.1117","","","","","","1.257","","","","has coordinates,has disorder","298166","2025-03-04","19:33:57",""
"1573217","11.453","0.0013","17.025","0.002","12.8883","0.0013","90","","94.855","0.003","90","","2504","0.5","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cu2 I3 N5 O -","- C18 H26 Cu2 I3 N5 O -","- C72 H104 Cu8 I12 N20 O4 -","4","1","","Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing","Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains.","Chemical science","2025","16","3","1106","1114","10.1039/d4sc06242f","","","0.71073","MoKα","","0.0861","0.0605","","","0.124","0.1352","","","","","","1.166","","","","has coordinates,has disorder","298166","2025-03-04","19:33:58",""
"1573218","10.1107","0.0015","11.2297","0.0018","11.9172","0.0017","73.93","0.006","67.168","0.005","71.862","0.006","1166.1","0.3","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H47 Cu4 I6 N9 O2 -","- C34 H47 Cu4 I6 N9 O2 -","- C34 H47 Cu4 I6 N9 O2 -","1","0.5","","Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing","Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains.","Chemical science","2025","16","3","1106","1114","10.1039/d4sc06242f","","","0.71073","MoKα","","0.0554","0.0436","","","0.0969","0.1023","","","","","","1.15","","","","has coordinates,has disorder","298166","2025-03-04","19:33:58",""
"1573219","11.4886","0.001","13.4361","0.001","15.0603","0.0012","90","","98.972","0.003","90","","2296.3","0.3","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Cu2 I3 N4 O2 -","- C15 H19 Cu2 I3 N4 O2 -","- C60 H76 Cu8 I12 N16 O8 -","4","1","","Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing","Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains.","Chemical science","2025","16","3","1106","1114","10.1039/d4sc06242f","","","0.71073","MoKα","","0.0721","0.0506","","","0.1209","0.1343","","","","","","1.087","","","","has coordinates,has disorder","298166","2025-03-04","19:33:58",""
"1573220","8.585","0.002","12.11","0.003","29.773","0.006","90","","90.461","0.009","90","","3095.2","1.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Pt-H_PtBu3_2-CH3CN [BF3]","","- C26 H58 B F4 N P2 Pt -","- C26 H58 B F4 N P2 Pt -","- C104 H232 B4 F16 N4 P8 Pt4 -","4","1","","Atterberry, Benjamin A.; Wimmer, Erik J.; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven P.; Rossini, Aaron J.","Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced <sup>195</sup>Pt solid state NMR spectroscopy and DFT calculations.","Chemical science","2025","16","3","1271","1287","10.1039/d4sc06450j","","","0.71073","MoKα","","0.1365","0.0863","","","0.1705","0.198","","","","","","1.046","","","","has coordinates","298164","2025-03-04","19:32:54",""
"1573221","11.5231","0.0004","16.5896","0.0004","16.5713","0.0005","90","","106.8","0.002","90","","3032.63","0.16","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Pt-H_PtBu3_2-H2O [BF3]","","- C24 H57 B F4 O P2 Pt -","- C24 H57 B F4 O P2 Pt -","- C96 H228 B4 F16 O4 P8 Pt4 -","4","1","","Atterberry, Benjamin A.; Wimmer, Erik J.; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven P.; Rossini, Aaron J.","Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced <sup>195</sup>Pt solid state NMR spectroscopy and DFT calculations.","Chemical science","2025","16","3","1271","1287","10.1039/d4sc06450j","","","0.71073","MoKα","","0.0839","0.0412","","","0.0523","0.0611","","","","","","1.014","","","","has coordinates","298164","2025-03-04","19:32:54",""
"1573222","11.1587","0.0003","19.7667","0.0005","16.9439","0.0005","90","","96.666","0.001","90","","3712.06","0.18","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Pt-H_PtBu3_2 [BF3]","","- C26 H59 B Cl4 F4 P2 Pt -","- C26 H59 B Cl4 F4 P2 Pt -","- C104 H236 B4 Cl16 F16 P8 Pt4 -","4","1","","Atterberry, Benjamin A.; Wimmer, Erik J.; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven P.; Rossini, Aaron J.","Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced <sup>195</sup>Pt solid state NMR spectroscopy and DFT calculations.","Chemical science","2025","16","3","1271","1287","10.1039/d4sc06450j","","","0.71073","MoKα","","0.0269","0.0239","","","0.0512","0.0523","","","","","","1.033","","","","has coordinates,has disorder","298164","2025-03-04","19:32:54",""
"1573223","14.0277","0.0006","31.9593","0.0012","20.8847","0.0008","90","","90","","90","","9362.9","0.6","120","","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C70 H92 Cl2 N6 O26 Zr6 -","- C58 H64 Cl2 N2 O22 Zr6 -","- C232 H256 Cl8 N8 O88 Zr24 -","4","0.5","","Morey, Merissa N.; Montone, Christine M.; Dworzak, Michael R.; Yap, Glenn P. A.; Bloch, Eric D.","Tunable synthesis of heteroleptic zirconium-based porous coordination cages.","Chemical science","2025","16","2","816","823","10.1039/d4sc06023g","","","1.54178","CuKα","","0.1161","0.1118","","","0.2385","0.2408","","","","","","1.17","","","","has coordinates,has disorder","298125","2025-03-04","19:17:40",""
"1573224","10.5045","0.0011","6.2032","0.0005","13.9819","0.0013","90","","102.093","0.01","90","","890.86","0.15","197.15","","197.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 As S2 -","- C9 H5 As S2 -","- C36 H20 As4 S8 -","4","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0422","0.0363","","","0.0963","0.1018","","","","","","1.079","","","","has coordinates","298156","2025-03-04","19:29:41",""
"1573225","13.4892","0.0012","8.5408","0.0007","23.219","0.002","90","","97.422","0.009","90","","2652.6","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H9 As S2 -","- C17 H9 As S2 -","- C136 H72 As8 S16 -","8","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.083","0.0461","","","0.0847","0.1027","","","","","","0.993","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573226","13.1348","0.0011","8.5422","0.0005","12.1986","0.001","90","","93.983","0.008","90","","1365.38","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 As S2 -","- C17 H9 As S2 -","- C68 H36 As4 S8 -","4","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.1277","0.0622","","","0.1284","0.1643","","","","","","1.112","","","","has coordinates,has disorder","298156","2025-03-04","19:29:42",""
"1573227","13.2423","0.0008","8.4253","0.0006","23.582","0.0015","90","","97.092","0.006","90","","2610.9","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H9 P S2 -","- C17 H9 P S2 -","- C136 H72 P8 S16 -","8","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0437","0.0359","","","0.0902","0.0963","","","","","","1.096","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573228","7.4187","0.0003","13.2453","0.0005","17.9755","0.0007","77.315","0.003","81.898","0.004","76.885","0.004","1670.53","0.12","180.15","","180.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 O3 P2 S4 -","- C34 H20 O3 P2 S4 -","- C68 H40 O6 P4 S8 -","2","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","","1.54184","CuKα","","0.1263","0.1064","","","0.288","0.3047","","","","","","1.048","","","","has coordinates,has disorder","298156","2025-03-04","19:29:42",""
"1573229","8.0954","0.0006","11.366","0.0007","15.4655","0.0008","87.822","0.005","85.309","0.005","80.114","0.006","1396.77","0.16","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H16 As2 S4 -","- C34 H16 As2 S4 -","- C68 H32 As4 S8 -","2","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0609","0.0421","","","0.0969","0.1076","","","","","","1.016","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573230","14.5703","0.0009","3.9421","0.0003","23.8017","0.0018","90","","99.317","0.007","90","","1349.08","0.17","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 As S2 -","- C17 H9 As S2 -","- C68 H36 As4 S8 -","4","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0685","0.0503","","","0.1254","0.1369","","","","","","1.053","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573231","10.403","0.0004","14.0494","0.0005","10.7101","0.0004","90","","99.246","0.003","90","","1545.01","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 As O4 S2 -","- C15 H11 As O4 S2 -","- C60 H44 As4 O16 S8 -","4","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0359","0.0328","","","0.0895","0.0931","","","","","","1.034","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573232","6.1248","0.0003","11.3296","0.0006","12.9122","0.0007","90","","95.535","0.006","90","","891.82","0.08","100","","100","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H5 As S2 -","- C9 H5 As S2 -","- C36 H20 As4 S8 -","4","2","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0339","0.0299","","","0.0712","0.0737","","","","","","1.037","","","","has coordinates,has disorder","298156","2025-03-04","19:29:42",""
"1573233","7.312","0.0005","10.1653","0.0008","11.2954","0.0008","92.355","0.006","106.909","0.006","100.48","0.006","785.92","0.1","256","","256","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H5 As O5 S2 W -","- C14 H5 As O5 S2 W -","- C28 H10 As2 O10 S4 W2 -","2","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.1186","0.0985","","","0.259","0.2985","","","","","","1.105","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573234","16.1897","0.0005","7.1373","0.0003","31.4478","0.0009","90","","90.732","0.003","90","","3633.5","0.2","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H13 As S2 -","- C23 H13 As S2 -","- C184 H104 As8 S16 -","8","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0359","0.0345","","","0.0909","0.0919","","","","","","1.084","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573235","17.8326","0.0012","7.736","0.0006","30.234","0.0015","90","","90","","90","","4170.9","0.5","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H15 As O4 S2 -","- C23 H15 As O4 S2 -","- C184 H120 As8 O32 S16 -","8","2","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0502","0.0412","","","0.0921","0.099","","","","","","1.056","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573239","21.868","0.003","22.557","0.003","22.892","0.003","90","","90","","90","","11292","3","273.15","","273.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H54 Ag6 F9 N5 O7 S3 -","- C36 H45 Ag6 F9 N4 O6 S3 -","- C288 H360 Ag48 F72 N32 O48 S24 -","8","1","","Nakatani, Riki; Sakai, Jin; Saha, Aishik; Kondo, Ayumu; Tomioka, Rina; Kawawaki, Tokuhisa; Das, Saikat; Negishi, Yuichi","Designed construction of two new atom-precise three-dimensional and two-dimensional Ag<sub>12</sub> cluster-assembled materials.","Nanoscale","2025","17","2","813","822","10.1039/d4nr03992k","","","0.71073","MoKα","","0.1018","0.0531","","","0.099","0.1173","","","","","","0.964","","","","has coordinates","298972","2025-04-05","03:31:43",""
"1573240","24.5604","0.0004","24.5604","0.0004","21.6065","0.0006","90","","90","","120","","11287.2","0.4","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C18 H23 Ag2 F3 N O3.5 S -","- C15 H14 Ag2 F3 N O2 S -","- C270 H252 Ag36 F54 N18 O36 S18 -","18","1","","Nakatani, Riki; Sakai, Jin; Saha, Aishik; Kondo, Ayumu; Tomioka, Rina; Kawawaki, Tokuhisa; Das, Saikat; Negishi, Yuichi","Designed construction of two new atom-precise three-dimensional and two-dimensional Ag<sub>12</sub> cluster-assembled materials.","Nanoscale","2025","17","2","813","822","10.1039/d4nr03992k","","x-ray","1.54184","CuKα","","0.0417","0.0379","","","0.1049","0.1076","","","","","","1.07","","","","has coordinates","298972","2025-04-05","03:31:55",""
"1573241","13.34263","0.0001","22.71892","0.00016","22.67074","0.00014","90","","98.27","0.0006","90","","6800.72","0.08","150","2","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H86 O9 P4 Ru2 -","- C72 H86 O9 P4 Ru2 -","- C288 H344 O36 P16 Ru8 -","4","0.5","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","1.54184","CuKα","","0.022","0.0213","","","0.0522","0.0527","","","","","","1.037","","","","has coordinates","297980","2025-03-04","18:04:30",""
"1573242","13.32259","0.00017","13.34539","0.00017","17.15744","0.00018","103.497","0.001","94.3216","0.001","118.437","0.0013","2545.56","0.07","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C59 H69 O6 P2 Ru -","- C59 H69 O6 P2 Ru -","- C118 H138 O12 P4 Ru2 -","2","1","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","1.54184","CuKα","","0.0313","0.031","","","0.0786","0.0788","","","","","","1.062","","","","has coordinates,has disorder","297980","2025-03-04","18:04:32",""
"1573243","14.82724","0.00007","14.82724","0.00007","16.45463","0.00014","90","","90","","90","","3617.5","0.04","150","2","150.01","0.1","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C42 H34 O6 P2 Ru -","- C42 H34 O6 P2 Ru -","- C168 H136 O24 P8 Ru4 -","4","0.5","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","1.54184","CuKα","","0.0207","0.0193","","","0.0451","0.0457","","","","","","1.034","","","","has coordinates,has disorder","297980","2025-03-04","18:04:32",""
"1573244","20.4141","0.0003","13.33648","0.00014","22.581","0.0003","90","","104.798","0.0012","90","","5943.81","0.14","150","2","149.9","0.6","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H38 P2 Ru -","- C34 H38 P2 Ru -","- C272 H304 P16 Ru8 -","8","1","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","0.71073","MoKα","","0.0266","0.021","","","0.0473","0.0502","","","","","","1.101","","","","has coordinates","297980","2025-03-04","18:04:32",""
"1573245","11.0204","0.0003","20.042","0.0005","18.3864","0.0005","90","","97.977","0.003","90","","4021.72","0.19","150","2","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H52 O6 P2 Ru -","- C41 H52 O6 P2 Ru -","- C164 H208 O24 P8 Ru4 -","4","1","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","0.71073","MoKα","","0.0587","0.0351","","","0.0647","0.0715","","","","","","1.011","","","","has coordinates,has disorder","297980","2025-03-04","18:04:32",""
"1573246","19.9752","0.0007","19.5957","0.0008","16.0602","0.0005","90","","96.739","0.005","90","","6243","0.4","150","2","149.9","0.7","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H52 Cl2 F12 O9 P4 Ru2 -","- C61 H52 Cl2 F12 O9 P4 Ru2 -","- C244 H208 Cl8 F48 O36 P16 Ru8 -","4","1","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","0.71073","MoKα","","0.1003","0.0643","","","0.117","0.1287","","","","","","1.092","","","","has coordinates","297980","2025-03-04","18:04:32",""
"1573247","17.3865","0.00012","18.59091","0.00014","22.10176","0.00013","90","","90","","90","","7143.97","0.08","150","2","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H36 O6 P2 Ru -","- C41 H36 O6 P2 Ru -","- C328 H288 O48 P16 Ru8 -","8","1","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","1.54184","CuKα","","0.0393","0.0358","","","0.0863","0.0887","","","","","","1.106","","","","has coordinates","297980","2025-03-04","18:04:32",""
"1573248","14.1251","0.0004","23.585","0.0006","23.8891","0.0005","88.9659","0.0018","76.443","0.002","76.138","0.002","7505.2","0.3","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C338 H309 O41 P16 Ru8 -","- C338 H309 O41 P16 Ru8 -","- C338 H309 O41 P16 Ru8 -","1","0.5","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","1.54184","CuKα","","0.0625","0.0432","","","0.1021","0.113","","","","","","1.03","","","","has coordinates,has disorder","297980","2025-03-04","18:04:32",""
"1573249","13.8453","0.0003","24.5721","0.0004","29.3748","0.0006","90","","101.926","0.002","90","","9777.8","0.3","150","2","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C99 H114 O10 P4 Ru2 -","- C99 H114 O10 P4 Ru2 -","- C396 H456 O40 P16 Ru8 -","4","1","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","1.54184","CuKα","","0.1223","0.1016","","","0.2199","0.2299","","","","","","1.131","","","","has coordinates,has disorder","297980","2025-03-04","18:04:32",""
"1573253","12.4491","0.0004","13.8403","0.0003","19.8972","0.0006","90","","97.153","0.003","90","","3401.59","0.17","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 B2 Cu F8 N10 O2 -","- C27 H40 B2 Cu F8 N10 O2 -","- C108 H160 B8 Cu4 F32 N40 O8 -","4","1","","Nowicka, Daria; Garbaczewski, Karol; Łuczak, Teresa; Forte, Giuseppe; Consiglio, Giuseppe; Kubicki, Maciej; Patroniak, Violetta; Gorczyński, Adam","Application of a simple copper(II) complex compound as an epinephrine selective voltammetric sensor in the presence of uric acid under aqueous conditions.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1000","1012","10.1039/d4dt02702g","","x-ray","0.71073","MoKα","","0.1054","0.0692","","","0.1582","0.1777","","","","","","1.042","","","","has coordinates","298937","2025-04-05","03:20:48",""
"1573257","14.6673","0.0005","17.9434","0.0003","16.4154","0.0005","90","","115.109","0.004","90","","3912","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H60 N Ni S8 -","- C32 H60 N Ni S8 -","- C128 H240 N4 Ni4 S32 -","4","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, HengBo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes.","Nanoscale","2025","17","3","1350","1361","10.1039/d4nr04048a","","","1.54184","CuKα","","0.0706","0.0619","","","0.1601","0.1677","","","","","","1.046","","","","has coordinates,has disorder","298980","2025-04-05","03:34:06",""
"1573258","14.6382","0.0002","14.6382","0.0002","20.8242","0.0004","90","","90","","90","","4462.15","0.12","150","0.3","150","0.3","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H24 Ni S8 -","- C16 H24 Ni S8 -","- C128 H192 Ni8 S64 -","8","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, HengBo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes.","Nanoscale","2025","17","3","1350","1361","10.1039/d4nr04048a","","","1.54184","CuKα","","0.042","0.039","","","0.1013","0.106","","","","","","1.046","","","","has coordinates","298980","2025-04-05","03:34:07",""
"1573259","14.2738","0.0007","14.2738","0.0007","21.703","0.0011","90","","90","","90","","4421.8","0.4","149.9","0.4","149.9","0.4","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H24 Ni S8 -","- C16 H21 Ni S8 -","- C128 H168 Ni8 S64 -","8","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, HengBo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes.","Nanoscale","2025","17","3","1350","1361","10.1039/d4nr04048a","","","1.54184","CuKα","","0.1196","0.0981","","","0.2576","0.29","","","","","","1.027","","","","has coordinates,has disorder","298980","2025-04-05","03:34:07",""
"1573260","14.313","0.0004","14.313","0.0004","21.769","0.0007","90","","90","","90","","4459.6","0.2","150","0.1","150","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H24 Pt S8 -","- C16 H24 Pt S8 -","- C128 H192 Pt8 S64 -","8","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, HengBo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes.","Nanoscale","2025","17","3","1350","1361","10.1039/d4nr04048a","","","1.54184","CuKα","","0.0648","0.0505","","","0.1253","0.1359","","","","","","1.036","","","","has coordinates,has disorder","298980","2025-04-05","03:34:07",""
"1573261","14.7208","0.0002","14.7208","0.0002","20.8598","0.0005","90","","90","","90","","4520.36","0.14","150","0.4","150","0.4","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C16 H24 Pt S8 -","- C16 H24 Pt S8 -","- C128 H192 Pt8 S64 -","8","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, HengBo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes.","Nanoscale","2025","17","3","1350","1361","10.1039/d4nr04048a","","","1.54184","CuKα","","0.0475","0.0445","","","0.1027","0.1049","","","","","","1.043","","","","has coordinates","298980","2025-04-05","03:34:07",""
"1573269","43.6143","0.0009","10.572","0.0002","25.1335","0.0007","90","","98.309","0.002","90","","11467.2","0.5","150","2","150","0.1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C166 H123 -","- C166 H123 -","- C664 H492 -","4","0.5","","Sanderson, Hugh J.; Helbig, Andreas; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Reversible formation of tetraphenylpentalene, a room temperature stable antiaromatic hydrocarbon.","Chemical science","2025","16","2","952","961","10.1039/d4sc06439a","","x-ray","1.54184","CuKα","","0.0655","0.0449","","","0.0994","0.1093","","","","","","1.012","","","","has coordinates,has disorder","298124","2025-03-04","19:17:28",""
"1573283","15.5452","0.0002","4.78961","0.00006","32.495","0.0004","90","","103.488","0.0013","90","","2352.7","0.05","100.02","0.12","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H21 N3 O -","- C35 H21 N3 O -","- C140 H84 N12 O4 -","4","1","","Singh, Hemant K.; Bodzioch, Agnieszka; Pietrzak, Anna; Kaszyński, Piotr","π-Curved Blatter radicals: Blatter helicenes.","Chemical communications (Cambridge, England)","2025","61","3","496","499","10.1039/d4cc05704j","","","1.54184","CuKα","","0.0347","0.0318","","","0.083","0.0852","","","","","","1.04","","","","has coordinates","298082","2025-03-04","18:51:33",""
"1573284","43.189","0.0005","43.189","0.0005","5.1711","0.0003","90","","90","","120","","8353.3","0.5","100.01","0.11","100.01","0.11","","","","","","","","4","R -3 :H","-R 3","148","","","","- C27 H16 N3 O -","- C27 H16 N3 O -","- C486 H288 N54 O18 -","18","1","","Singh, Hemant K.; Bodzioch, Agnieszka; Pietrzak, Anna; Kaszyński, Piotr","π-Curved Blatter radicals: Blatter helicenes.","Chemical communications (Cambridge, England)","2025","61","3","496","499","10.1039/d4cc05704j","","","1.54184","CuKα","","0.0505","0.0375","","","0.0947","0.1022","","","","","","1.029","","","","has coordinates","298082","2025-03-04","18:51:35",""
"1573285","21.3059","0.0003","11.4684","0.0002","9.6844","0.0001","90","","94.685","0.001","90","","2358.42","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H20 N3 O -","- C35 H20 N3 O -","- C140 H80 N12 O4 -","4","1","","Singh, Hemant K.; Bodzioch, Agnieszka; Pietrzak, Anna; Kaszyński, Piotr","π-Curved Blatter radicals: Blatter helicenes.","Chemical communications (Cambridge, England)","2025","61","3","496","499","10.1039/d4cc05704j","","","1.54184","CuKα","","0.0412","0.0383","","","0.0992","0.1013","","","","","","1.026","","","","has coordinates","298082","2025-03-04","18:51:35",""
"1573300","9.9067","0.0002","11.5214","0.0003","11.6032","0.0003","93.702","0.002","109.012","0.002","103.102","0.002","1205.68","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C60 H50 N2 O6 -","2","2","","He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng","Ni-catalyzed asymmetric decarboxylation for the construction of carbocycles with contiguous quaternary carbon stereocenters.","Chemical science","2025","16","2","834","839","10.1039/d4sc06849a","","x-ray","1.54184","CuKα","","0.0403","0.0392","","","0.1031","0.1045","","","","","","1.04","","","","has coordinates,has disorder","298123","2025-03-04","19:17:13",""
"1573301","7.51317","0.00015","15.2775","0.0003","21.463","0.0004","90","","90","","90","","2463.58","0.08","149.99","0.1","149.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N O3 -","- C30 H27 N O3 -","- C120 H108 N4 O12 -","4","1","","He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng","Ni-catalyzed asymmetric decarboxylation for the construction of carbocycles with contiguous quaternary carbon stereocenters.","Chemical science","2025","16","2","834","839","10.1039/d4sc06849a","","x-ray","1.54184","CuKα","","0.0367","0.0351","","","0.0884","0.0903","","","","","","1.05","","","","has coordinates","298123","2025-03-04","19:17:13",""
"1573302","6.22984","0.00013","15.4298","0.0004","22.0803","0.0005","90","","90","","90","","2122.47","0.09","170","0.1","170","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng","Ni-catalyzed asymmetric decarboxylation for the construction of carbocycles with contiguous quaternary carbon stereocenters.","Chemical science","2025","16","2","834","839","10.1039/d4sc06849a","","x-ray","1.54184","CuKα","","0.0357","0.0337","","","0.0863","0.0879","","","","","","1.04","","","","has coordinates","298123","2025-03-04","19:17:13",""
"1573303","10.3863","0.0002","13.163","0.0002","14.3802","0.0004","90.6959","0.0018","101.511","0.002","104.786","0.0018","1858.52","0.07","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","Cu(TFSI)2(bip)2","","- C22 H24 Cu F12 N10 O8 S4 -","- C22 H24 Cu F12 N10 O8 S4 -","- C44 H48 Cu2 F24 N20 O16 S8 -","2","1","","Nishiguchi, Taichi; Ohara, Yuki; Kadota, Kentaro; Zheng, Xin; Noro, Shin-Ichiro; Horike, Satoshi","Mechanically induced polyamorphism in a one-dimensional coordination polymer.","Chemical science","2025","16","2","621","626","10.1039/d4sc07058e","","","1.54187","CuKα","","0.0595","0.0577","","","0.1617","0.1636","","","","","","1.055","","","","has coordinates","298120","2025-03-04","19:16:02",""
"1573304","5.92744","0.00009","13.7395","0.0003","20.7053","0.0004","79.4971","0.0016","83.0769","0.0013","85.9397","0.0013","1643.84","0.05","139.99","0.1","139.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H39 Au3 N6 -","- C36 H39 Au3 N6 -","- C72 H78 Au6 N12 -","2","1","","Solea, Atena B.; Dermutas, Davide; Fadaei-Tirani, Farzaneh; Leanza, Luigi; Delle Piane, Massimo; Pavan, Giovanni M.; Severin, Kay","Nano onions based on an amphiphilic Au<sub>3</sub>(pyrazolate)<sub>3</sub> complex.","Nanoscale","2025","17","2","1007","1012","10.1039/d4nr03901g","","x-ray","1.54184","CuKα","","0.0372","0.0306","","","0.0789","0.0814","","","","","","1.083","","","","has coordinates","298974","2025-04-05","03:32:35",""
"1573306","21.6586","0.0011","12.8689","0.0005","9.8744","0.0003","90","","90","","90","","2752.22","0.19","169.99","0.12","169.99","0.12","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C36 H31 N2 O0.5 -","- C36 H31 N2 O0.5 -","- C144 H124 N8 O2 -","4","1","","Wei, Xuyang; Li, Dong; Liu, Xitong; Zhang, Weifeng; Li, Hao; Yang, Shuai; Luo, Hao; Yu, Gui","Magnetoresistance effect of pyridine-capped <i>s</i>-indacene-based conjugated radicals.","Materials horizons","2025","12","5","1524","1531","10.1039/d4mh01114g","","x-ray","1.54184","CuKα","","0.0787","0.0547","","","0.1315","0.152","","","","","","1.028","","","","has coordinates","299157","2025-04-05","04:26:38",""
"1573307","15.9161","0.0004","17.8282","0.0004","18.1544","0.0005","90","","90","","90","","5151.4","0.2","170","0.1","170","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C36 H30 N2 -","- C36 H30 N2 -","- C288 H240 N16 -","8","1","","Wei, Xuyang; Li, Dong; Liu, Xitong; Zhang, Weifeng; Li, Hao; Yang, Shuai; Luo, Hao; Yu, Gui","Magnetoresistance effect of pyridine-capped <i>s</i>-indacene-based conjugated radicals.","Materials horizons","2025","12","5","1524","1531","10.1039/d4mh01114g","","x-ray","0.71073","MoKα","","0.0566","0.0456","","","0.1235","0.1298","","","","","","1.046","","","","has coordinates","299157","2025-04-05","04:26:38",""
"1573308","10.6687","0.0007","15.5241","0.001","22.9366","0.0015","90","","92.854","0.001","90","","3794.1","0.4","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H55 Cl N2 O2 P2 Ru -","- C39 H55 Cl N2 O2 P2 Ru -","- C156 H220 Cl4 N8 O8 P8 Ru4 -","4","1","","Donnelly, Laurie J.; Gelfand, Benjamin S.; Piers, Warren E.","Rapid and selective formic acid dehydrogenation catalysis by molecular ruthenium hydrides supported by rigid PCcarbeneP pincer ligands","Catalysis Science & Technology","2025","15","1","100","106","10.1039/D4CY01346H","","x-ray","0.71073","MoKα","","0.0542","0.0444","","","0.1195","0.1257","","","","","","1.062","","","","has coordinates","297979","2025-03-04","18:03:47",""
"1573309","8.7161","0.0006","9.2511","0.0007","9.8844","0.0007","63.309","0.008","64.432","0.007","72.772","0.007","637.16","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H15 N3 -","- C14 H15 N3 -","- C28 H30 N6 -","2","1","","Mandal, Mrinal; Mardanya, Sukumar; Saha, Arijit; Singh, Manjeev; Ghosh, Swarnali; Chatterjee, Tanmay; Patra, Ramen; Bhunia, Surojit; Mandal, Saptarshi; Mukherjee, Soumen; Debnath, Rahul; Reddy, C. Malla; Das, Mousumi; Mandal, Prasun K.","Charge-transfer mediated J-aggregation in red emitting ultra-small-single-benzenic <i>meta</i>-fluorophore crystals.","Chemical science","2025","16","2","901","909","10.1039/d4sc06851c","","","1.54184","CuKα","","0.0942","0.0782","","","0.227","0.2367","","","","","","1.125","","","","has coordinates","298119","2025-03-04","19:15:42",""
"1573310","15.292","0.004","10.45","0.003","6.872","0.002","90","","97.614","0.01","90","","1088.5","0.5","301","2","301.05","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Mandal, Mrinal; Mardanya, Sukumar; Saha, Arijit; Singh, Manjeev; Ghosh, Swarnali; Chatterjee, Tanmay; Patra, Ramen; Bhunia, Surojit; Mandal, Saptarshi; Mukherjee, Soumen; Debnath, Rahul; Reddy, C. Malla; Das, Mousumi; Mandal, Prasun K.","Charge-transfer mediated J-aggregation in red emitting ultra-small-single-benzenic <i>meta</i>-fluorophore crystals.","Chemical science","2025","16","2","901","909","10.1039/d4sc06851c","","","0.71073","MoKα","","0.1509","0.1058","","","0.2431","0.2667","","","","","","1.126","","","","has coordinates","298119","2025-03-04","19:15:43",""
"1573311","13.644","0.002","9.9782","0.0013","15.7628","0.0019","90","","91.274","0.005","90","","2145.5","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H20 Cl N -","- C29 H20 Cl N -","- C116 H80 Cl4 N4 -","4","1","","Chaturvedi, Anjali; Sharma, Vishal; Rawal, Ravindra K.; Singh, Manpreet; Singh, Virender","Sustainable protocol for Cu-catalysed A<sup>3</sup>-coupling under solvent-free conditions.","Organic & biomolecular chemistry","2025","23","4","854","863","10.1039/d4ob01728e","","","0.71073","MoKα","","0.0862","0.0509","","","0.1318","0.1846","","","","","","1.208","","","","has coordinates","299090","2025-04-05","04:02:43",""
"1573312","7.3123","0.0003","8.6811","0.0004","22.3521","0.001","80.512","0.002","83.401","0.002","69.983","0.001","1312.31","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H32 O15 -","- C26 H32 O15 -","- C52 H64 O30 -","2","1","","Mo, Shuyuan; Huang, Zhihong; Zeng, Hanxiao; Wang, Jianping; Zhang, Yonghui; Hu, Zhengxi","Penicichrysol A: an unprecedented polyketide produced by <i>Penicillium chrysogenum</i>.","Organic & biomolecular chemistry","2025","23","3","608","613","10.1039/d4ob01742k","","","1.54178","CuKα","","0.058","0.0415","","","0.1075","0.1118","","","","","","1.073","","","","has coordinates","299144","2025-04-05","04:13:40",""
"1573313","10.8884","0.0001","13.4388","0.0001","11.5204","0.0001","90","","99.491","0.001","90","","1662.67","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O8 -","- C18 H18 O8 -","- C72 H72 O32 -","4","1","","Mo, Shuyuan; Huang, Zhihong; Zeng, Hanxiao; Wang, Jianping; Zhang, Yonghui; Hu, Zhengxi","Penicichrysol A: an unprecedented polyketide produced by <i>Penicillium chrysogenum</i>.","Organic & biomolecular chemistry","2025","23","3","608","613","10.1039/d4ob01742k","","x-ray","1.54184","CuKα","","0.0362","0.0353","","","0.096","0.0968","","","","","","1.036","","","","has coordinates","299144","2025-04-05","04:13:40",""
"1573348","8.1695","0.0004","10.658","0.003","5.0531","0.0001","90","","90","","90","","439.98","0.13","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0532","0.0487","","","0.1478","0.1778","","","","","","1.189","","","","has coordinates","296163","2024-11-29","03:01:54",""
"1573349","8.35707","0.00012","10.714","0.002","5.11006","0.00005","90","","90","","90","","457.54","0.09","293","2","293","2","","","","","","","","4","I m m 2","I 2 -2","44","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","x-ray","0.2229","synchrotron","","0.0661","0.0566","","","0.1465","0.1577","","","","","","1.019","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573350","8.1572","0.0003","10.64","0.003","5.0499","0.0001","90","","90","","90","","438.29","0.12","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0404","0.0387","","","0.0966","0.102","","","","","","1.042","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573351","8.0991","0.0003","10.54","0.005","5.0319","0.0003","90","","90","","90","","429.5","0.2","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0503","0.0414","","","0.1095","0.1152","","","","","","0.997","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573352","8.1701","0.0004","10.6651","0.0003","5.0554","0.0001","90","","90","","90","","440.5","0.03","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0289","0.0279","","","0.0779","0.0787","","","","","","1.115","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573353","8.2334","0.0007","10.717","0.006","5.0641","0.0003","90","","90","","90","","446.8","0.3","293","","293","2","","","","","","","","3","I m m 2","I 2 -2","44","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0621","0.0503","","","0.1383","0.1597","","","","","","1.034","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573354","8.1412","0.0009","10.6227","0.0008","5.0448","0.0002","90","","90","","90","","436.28","0.06","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0494","0.0449","","","0.1136","0.1162","","","","","","0.975","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573355","8.1559","0.0002","10.636","0.003","5.0475","0.0001","90","","90","","90","","437.85","0.12","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.037","0.0337","","","0.0924","0.0957","","","","","","1.036","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573356","8.1865","0.0004","10.67","0.005","5.0479","0.0002","90","","90","","90","","440.9","0.2","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0499","0.0452","","","0.1263","0.13","","","","","","1.046","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573357","8.2501","0.0002","10.694","0.003","5.06794","0.00016","90","","90","","90","","447.13","0.13","293","2","293","2","","","","","","","","3","I m m 2","I 2 -2","44","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","x-ray","0.35424","synchrotron","","0.1001","0.099","","","0.2505","0.2519","","","","","","1.029","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573358","8.2846","0.0002","10.697","0.002","5.0823","0.0001","90","","90","","90","","450.4","0.09","293","2","293","2","1500000","","","","","","","4","I m m 2","I 2 -2","44","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.0669","0.0593","","","0.1608","0.171","","","","","","1.053","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573359","8.0977","0.0006","10.5415","0.001","5.0266","0.0002","90","","90","","90","","429.08","0.05","293","","293","","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- H0 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","x-ray","0.2229","synchrotron","","0.2921","0.1875","","","0.2063","0.239","","","","9.1391","9.1391","7.7139","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573360","8.2199","0.0006","10.6921","0.0002","5.0603","0.0001","90","","90","","90","","444.74","0.03","293","2","293","2","2330000","","","","","","","4","P n n 2","P 2 -2n","34","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.0541","0.0326","","","0.1013","0.1238","","","","","","1.003","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573361","8.1356","0.0008","10.6329","0.0003","5.0386","0.0001","90","","90","","90","","435.86","0.05","293","2","293","2","3300000","","","","","","","4","P n n 2","P 2 -2n","34","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.0731","0.0634","","","0.2044","0.2107","","","","","","1.199","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573362","8.0899","0.0013","10.5425","0.0005","5.0237","0.0001","90","","90","","90","","428.46","0.07","293","2","293","2","4100000","","","","","","","4","P n n 2","P 2 -2n","34","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.215","0.1982","","","0.542","0.5621","","","","","","2.427","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573363","8.31709","0.00017","10.706","0.003","5.09489","0.00007","90","","90","","90","","453.66","0.13","293","2","293","2","","","","","","","","4","I m m 2","I 2 -2","44","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","x-ray","0.2229","synchrotron","","0.0626","0.0562","","","0.1595","0.1687","","","","","","1.084","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573364","8.2502","0.0002","10.685","0.003","5.0695","0.0001","90","","90","","90","","446.89","0.13","293","2","293","2","2100000","","","","","","","4","I m m 2","I 2 -2","44","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.0649","0.0549","","","0.1513","0.1621","","","","","","1.072","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573365","8.2161","0.0002","10.673","0.003","5.0579","0.0001","90","","90","","90","","443.53","0.13","293","2","293","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- H4 O10 Si2 Zn4 -","- H4 O10 Si2 Zn4 -","- H8 O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.0806","0.0558","","","0.1756","0.196","","","","","","1.081","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573368","23.5423","0.001","13.8181","0.0006","17.4303","0.0008","90","","96.371","0.0011","90","","5635.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H82 Ga2 N4 O P2 -","- C59 H82 Ga2 N4 O P2 -","- C236 H328 Ga8 N16 O4 P8 -","4","1","","Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene.","Chemical science","2025","16","3","1189","1196","10.1039/d4sc06371f","","","1.54178","CuKα","","0.0239","0.0238","","","0.0627","0.0628","","","","","","1.052","","","","has coordinates,has disorder","298162","2025-03-04","19:32:05",""
"1573369","26.3977","0.0009","13.4903","0.0005","40.1349","0.0013","90","","91.7723","0.0015","90","","14285.7","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H108 Ga2 N6 O P2 -","- C72 H108 Ga2 N6 O P2 -","- C576 H864 Ga16 N48 O8 P16 -","8","1","","Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene.","Chemical science","2025","16","3","1189","1196","10.1039/d4sc06371f","","","1.54178","CuKα","","0.0568","0.0479","","","0.1128","0.1188","","","","","","1.079","","","","has coordinates,has disorder","298162","2025-03-04","19:32:06",""
"1573370","15.1894","0.0006","13.1269","0.0005","34.6139","0.0013","90","","96.719","0.002","90","","6854.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H106 Ga2 N4 O P2 Si -","- C69 H106 Ga2 N4 O P2 Si -","- C276 H424 Ga8 N16 O4 P8 Si4 -","4","1","","Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene.","Chemical science","2025","16","3","1189","1196","10.1039/d4sc06371f","","","1.54178","CuKα","","0.0674","0.058","","","0.1255","0.1307","","","","","","1.187","","","","has coordinates,has disorder","298162","2025-03-04","19:32:06",""
"1573371","20.731","0.0004","18.24","0.0004","39.5206","0.0007","90","","95.9543","0.0013","90","","14863.4","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79 H111 Ga2 N6 O P2 -","- C79 H111 Ga2 N6 O P2 -","- C632 H888 Ga16 N48 O8 P16 -","8","1","","Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene.","Chemical science","2025","16","3","1189","1196","10.1039/d4sc06371f","","","1.54178","CuKα","","0.0352","0.0351","","","0.0894","0.0895","","","","","","1.109","","","","has coordinates","298162","2025-03-04","19:32:06",""
"1573374","9.1472","0.0004","9.2824","0.0004","9.3217","0.0004","97.608","0.001","94.602","0.001","101.377","0.001","764.48","0.06","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 B O4 -","- C15 H23 B O4 -","- C30 H46 B2 O8 -","2","1","","Vyas, Het; Gangani, Ashvin J.; Mini, Aiswarya; Pathil, Melissa; Ruth, Austin; Sharma, Abhishek","Strain-release enables access to carbonyl conjugated allylic diborons and alkenyl boronates having multiple contiguous stereocenters in a one-pot process.","Chemical science","2025","16","3","1205","1215","10.1039/d4sc06514j","","","1.54178","CuKα","","0.0704","0.0698","","","0.1839","0.1843","","","","","","1.089","","","","has coordinates","298168","2025-03-04","19:34:36",""
"1573375","17.4121","0.0008","10.4286","0.0005","13.1111","0.0006","90","","109.67","0.002","90","","2241.84","0.18","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 B N O7 -","- C22 H28 B N O7 -","- C88 H112 B4 N4 O28 -","4","1","","Vyas, Het; Gangani, Ashvin J.; Mini, Aiswarya; Pathil, Melissa; Ruth, Austin; Sharma, Abhishek","Strain-release enables access to carbonyl conjugated allylic diborons and alkenyl boronates having multiple contiguous stereocenters in a one-pot process.","Chemical science","2025","16","3","1205","1215","10.1039/d4sc06514j","","","1.54178","CuKα","","0.0364","0.0346","","","0.0897","0.0907","","","","","","1.034","","","","has coordinates","298168","2025-03-04","19:34:38",""
"1573376","10.0705","0.0007","18.6804","0.0012","5.758","0.0004","90","","90","","90","","1083.2","0.13","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H7 F6 N5 -","- C9 H7 F6 N5 -","- C36 H28 F24 N20 -","4","1","","Michelini, Lorenzo; Slaney, Tanya; Virk, Seerat; Rafic, Estefanía; Qie, L. Charlie; Corejova, Klara; Lepage, Mathieu L.; Musolino, Stefania F.; Oliver, Allen G.; Etchenique, Roberto; Hong, W. David; DiLabio, Gino A.; Wulff, Jeremy E.","A diazirine's central carbon is sp<sup>2</sup>-hybridized, facilitating conjugation to dye molecules.","Chemical science","2025","16","2","970","979","10.1039/d4sc06427e","","","1.54184","CuKα","","0.0228","0.0227","","","0.0586","0.0586","","","","","","1.082","","","","has coordinates","298118","2025-03-04","19:15:23",""
"1573377","32.768","0.002","13.9365","0.0009","15.0048","0.0009","90","","109.374","0.002","90","","6464.2","0.7","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 Cd Cl4 N2 -","- C24 H56 Cd Cl4 N2 -","- C192 H448 Cd8 Cl32 N16 -","8","1","","Xu, Ou; Peng, Hui; Wei, Qilin; Kong, Linghang; Wang, Xiao; Zhang, Heng; Zhao, Jialong; Zou, Bingsuo","Large-scale preparation of Sb<sup>3+</sup>-activated hybrid metal halides with efficient tunable emission from visible to near-infrared regions for advanced photonic applications.","Materials horizons","2025","12","5","1596","1608","10.1039/d4mh01197j","","","0.71073","MoKα","","0.0633","0.034","","","0.0699","0.082","","","","","","0.95","","","","has coordinates,has disorder","299158","2025-04-05","04:26:55",""
"1573378","33.373","0.007","14.437","0.003","14.999","0.003","90","","111.357","0.006","90","","6730","2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 Br4 Cd N2 -","- C24 H56 Br4 Cd N2 -","- C192 H448 Br32 Cd8 N16 -","8","1","","Xu, Ou; Peng, Hui; Wei, Qilin; Kong, Linghang; Wang, Xiao; Zhang, Heng; Zhao, Jialong; Zou, Bingsuo","Large-scale preparation of Sb<sup>3+</sup>-activated hybrid metal halides with efficient tunable emission from visible to near-infrared regions for advanced photonic applications.","Materials horizons","2025","12","5","1596","1608","10.1039/d4mh01197j","","","0.71073","MoKα","","0.1422","0.0541","","","0.105","0.1343","","","","","","0.956","","","","has coordinates,has disorder","299158","2025-04-05","04:26:55",""
"1573381","7.0781","0.0004","11.3798","0.0006","12.8321","0.0008","79.573","0.005","86.427","0.005","88.799","0.005","1014.5","0.1","93","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 Al N O4 -","- C21 H29 Al N2 O4 -","- C42 H58 Al2 N4 O8 -","2","1","","Ganta, Prasanna Kumar; Huang, Fei; Halima, Taoufik Ben; Kamaraj, Rajiv; Chu, Yu-Ting; Tseng, Hsi-Ching; Ding, Shangwu; Wu, Kuo-Hui; Chen, Hsuan-Ying","Evolution of aluminum aminophenolate complexes in the ring-opening polymerization of ε-caprolactone: electronic and amino-chelating effects.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","511","532","10.1039/d4dt02923b","","x-ray","0.71073","MoKα","","0.1029","0.0679","","","0.168","0.1935","","","","","","1.024","","","","has coordinates","298881","2025-04-05","02:54:27",""
"1573382","17.3914","0.0004","10.0911","0.0002","14.2716","0.0003","90","","104.702","0.002","90","","2422.64","0.09","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Al Br2 N2 O3 -","- C23 H31 Al Br2 N2 O3 -","- C92 H124 Al4 Br8 N8 O12 -","4","1","","Ganta, Prasanna Kumar; Huang, Fei; Halima, Taoufik Ben; Kamaraj, Rajiv; Chu, Yu-Ting; Tseng, Hsi-Ching; Ding, Shangwu; Wu, Kuo-Hui; Chen, Hsuan-Ying","Evolution of aluminum aminophenolate complexes in the ring-opening polymerization of ε-caprolactone: electronic and amino-chelating effects.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","511","532","10.1039/d4dt02923b","","x-ray","0.71073","MoKα","","0.0534","0.0379","","","0.09","0.096","","","","","","1.054","","","","has coordinates","298881","2025-04-05","02:54:27",""
"1573383","19.0286","0.0002","8.4573","0.0001","11.545","0.0001","90","","90","","90","","1857.94","0.03","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H30 Al N O2 -","- C18 H30 Al N O2 -","- C72 H120 Al4 N4 O8 -","4","1","","Ganta, Prasanna Kumar; Huang, Fei; Halima, Taoufik Ben; Kamaraj, Rajiv; Chu, Yu-Ting; Tseng, Hsi-Ching; Ding, Shangwu; Wu, Kuo-Hui; Chen, Hsuan-Ying","Evolution of aluminum aminophenolate complexes in the ring-opening polymerization of ε-caprolactone: electronic and amino-chelating effects.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","511","532","10.1039/d4dt02923b","","x-ray","0.71073","MoKα","","0.0273","0.0255","","","0.0657","0.0665","","","","","","1.049","","","","has coordinates","298881","2025-04-05","02:54:27",""
"1573384","10.6759","0.0002","17.5313","0.0003","40.2687","0.0008","90","","90","","90","","7536.8","0.2","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H56 Al Cl O3 -","- C40 H56 Al Cl O3 -","- C320 H448 Al8 Cl8 O24 -","8","1","","Ganta, Prasanna Kumar; Huang, Fei; Halima, Taoufik Ben; Kamaraj, Rajiv; Chu, Yu-Ting; Tseng, Hsi-Ching; Ding, Shangwu; Wu, Kuo-Hui; Chen, Hsuan-Ying","Evolution of aluminum aminophenolate complexes in the ring-opening polymerization of ε-caprolactone: electronic and amino-chelating effects.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","511","532","10.1039/d4dt02923b","","x-ray","0.71073","MoKα","","0.0673","0.0599","","","0.1542","0.1584","","","","","","1.072","","","","has coordinates","298881","2025-04-05","02:54:27",""
"1573385","14.5245","0.0003","19.871","0.0003","25.5065","0.0004","90","","90","","90","","7361.6","0.2","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H56 Al N O7 -","- C39 H56 Al N O7 -","- C312 H448 Al8 N8 O56 -","8","1","","Ganta, Prasanna Kumar; Huang, Fei; Halima, Taoufik Ben; Kamaraj, Rajiv; Chu, Yu-Ting; Tseng, Hsi-Ching; Ding, Shangwu; Wu, Kuo-Hui; Chen, Hsuan-Ying","Evolution of aluminum aminophenolate complexes in the ring-opening polymerization of ε-caprolactone: electronic and amino-chelating effects.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","511","532","10.1039/d4dt02923b","","x-ray","0.71073","MoKα","","0.0598","0.0456","","","0.1144","0.1217","","","","","","1.038","","","","has coordinates","298881","2025-04-05","02:54:27",""
"1573388","18.2605","0.0007","21.6169","0.0008","18.9717","0.0007","90","","96.372","0.001","90","","7442.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C74 H172 Ag16 Cl4 O24 P12 Pd S26 -","- C74 H172 Ag16 Cl4 O24 P12 Pd S26 -","- C148 H344 Ag32 Cl8 O48 P24 Pd2 S52 -","2","0.5","","Ni, Yu-Rong; Pillay, Michael N.; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Chen, Jie-Ying; Chen, Yuan-Jang; Saillard, Jean-Yves; Liu, C. W.","Sulfide-mediated growth of NIR luminescent Pd/Ag atomically precise nanoclusters.","Nanoscale","2025","17","4","1990","1996","10.1039/d4nr04136d","","","0.71073","MoKα","","0.0376","0.0314","","","0.0762","0.0806","","","","","","1.047","","","","has coordinates,has disorder","298971","2025-04-05","03:31:23",""
"1573389","26.454","0.003","27.073","0.003","23.35","0.003","90","","90","","90","","16723","3","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C96 H216 Ag16 O24 P12 Pd S26 -","- C96 H216 Ag16 O24 P12 Pd S26 -","- C384 H864 Ag64 O96 P48 Pd4 S104 -","4","0.5","","Ni, Yu-Rong; Pillay, Michael N.; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Chen, Jie-Ying; Chen, Yuan-Jang; Saillard, Jean-Yves; Liu, C. W.","Sulfide-mediated growth of NIR luminescent Pd/Ag atomically precise nanoclusters.","Nanoscale","2025","17","4","1990","1996","10.1039/d4nr04136d","","","0.71073","MoKα","","0.0892","0.0806","","","0.1645","0.17","","","","","","1.357","","","","has coordinates,has disorder","298971","2025-04-05","03:31:23",""
"1573390","15.605","0.005","18.06","0.005","18.102","0.008","119.776","0.006","93.951","0.01","103.556","0.007","4200","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H216 Ag14 O24 P12 Pd6 S25 -","- C96 H216 Ag14 O24 P12 Pd6 S25 -","- C96 H216 Ag14 O24 P12 Pd6 S25 -","1","0.5","","Ni, Yu-Rong; Pillay, Michael N.; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Chen, Jie-Ying; Chen, Yuan-Jang; Saillard, Jean-Yves; Liu, C. W.","Sulfide-mediated growth of NIR luminescent Pd/Ag atomically precise nanoclusters.","Nanoscale","2025","17","4","1990","1996","10.1039/d4nr04136d","","","0.71073","MoKα","","0.1024","0.0647","","","0.1816","0.2312","","","","","","1.068","","","","has coordinates,has disorder","298971","2025-04-05","03:31:23",""
"1573391","19.927","0.003","21.694","0.003","34.974","0.006","90","","104.466","0.005","90","","14640","4","200","2","200","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C87 H81 B Cu F4 N4 O2.5 P2 -","- C81 H66 B Cu F4 N4 O P2 -","- C648 H528 B8 Cu8 F32 N32 O8 P16 -","8","1","","Wang, Xinwei; Li, Weijun; Li, Xiao; Hou, Chenlu; Wei, Sanyue; Lei, Wenxin; Chen, Xu-Lin","TADF-emitting copper(i) and silver(i) complexes featuring intra-ligand charge transfer based on a donor–acceptor–donor ligand","New Journal of Chemistry","2025","49","3","755","760","10.1039/D4NJ04193C","","","0.71073","MoKα","","0.1146","0.0779","","","0.2148","0.2459","","","","","","1.04","","","","has coordinates,has disorder","299050","2025-04-05","03:53:52",""
"1573392","19.2498","0.0002","25.6897","0.0003","31.4864","0.0004","77.9013","0.001","78.6755","0.001","89.8003","0.0009","14916.9","0.3","113","20","113","20","","","","","","","","8","P -1","-P 1","2","","","","- C85 H76 Ag B F4 N4 O2 P2 -","- C85 H75.625 Ag B F4 N4 O2 P2 -","- C680 H605 Ag8 B8 F32 N32 O16 P16 -","8","4","","Wang, Xinwei; Li, Weijun; Li, Xiao; Hou, Chenlu; Wei, Sanyue; Lei, Wenxin; Chen, Xu-Lin","TADF-emitting copper(i) and silver(i) complexes featuring intra-ligand charge transfer based on a donor–acceptor–donor ligand","New Journal of Chemistry","2025","49","3","755","760","10.1039/D4NJ04193C","","x-ray","1.54184","CuKα","","0.0759","0.0696","","","0.1899","0.1939","","","","","","1.065","","","","has coordinates,has disorder","299050","2025-04-05","03:53:52",""
"1573393","10.556","0.002","5.7279","0.0012","21.606","0.005","90","","97.049","0.008","90","","1296.5","0.5","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N7 O5 -","- C9 H7 N7 O5 -","- C36 H28 N28 O20 -","4","1","","Cai, Ziwu; Shi, Junhao; Yu, Qian; Jiang, Tianyu; Zhang, Wenquan","4-Amino-1,2,3-triazine 2-oxide: a promising structural unit for the design and synthesis of novel energetic materials with good thermal stability and low impact sensitivity","New Journal of Chemistry","2025","49","1","302","310","10.1039/D4NJ04219K","","","0.71073","MoKα","","0.1126","0.0565","","","0.1249","0.1587","","","","","","1.018","","","","has coordinates","298994","2025-04-05","03:40:08",""
"1573394","5.8169","0.0003","10.8115","0.0005","15.0344","0.0008","90","","90","","90","","945.5","0.08","102","","102","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N7 O5 -","- C7 H5 N7 O5 -","- C28 H20 N28 O20 -","4","1","","Cai, Ziwu; Shi, Junhao; Yu, Qian; Jiang, Tianyu; Zhang, Wenquan","4-Amino-1,2,3-triazine 2-oxide: a promising structural unit for the design and synthesis of novel energetic materials with good thermal stability and low impact sensitivity","New Journal of Chemistry","2025","49","1","302","310","10.1039/D4NJ04219K","","","0.71073","MoKα","","0.0562","0.0389","","","0.0844","0.0939","","","","","","1.037","","","","has coordinates","298994","2025-04-05","03:40:09",""
"1573395","9.1158","0.001","9.8374","0.0013","25.365","0.003","90","","90","","90","","2274.6","0.5","149.99","0.1","149.99","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","","Qin, Chang-Qing; Liu, Xin-Ni; Gu, Man-Zhen; Xu, Yi-Bing; Chen, Guo-Shu; Liu, Yun-Lin","DBU-mediated synthesis of amides from carbodiimides and unstrained 1,3-diketones","New Journal of Chemistry","2025","49","2","366","370","10.1039/D4NJ04537H","","x-ray","1.54184","CuKα","","0.1071","0.0771","","","0.209","0.2623","","","","","","1.111","","","","has coordinates","299012","2025-04-05","03:43:51",""
"1573396","9.9581","0.0003","9.1704","0.0003","27.6575","0.0007","90","","90","","90","","2525.68","0.13","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C112 H104 N24 O16 -","8","1","","Maessen, Stefan J. D.; Lekanne Deprez, Siebe; Vermeeren, Pascal; van den Bersselaar, Bart W. L.; Lutz, Martin; Heuts, Johan P. A.; Fonseca Guerra, Célia; Palmans, Anja R. A.","Structure-property relationships to direct the dynamic properties of acylsemicarbazide-based materials.","Polymer chemistry","2025","16","3","290","300","10.1039/d4py01296h","","","0.71073","MoKα","","0.0683","0.0453","","","0.1023","0.113","","","","","","1.062","","","","has coordinates","299154","2025-04-05","04:25:44",""
"1573397","9.7633","0.0003","27.5437","0.0007","10.4855","0.0003","90","","98.644","0.002","90","","2787.7","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C120 H104 N24 O24 -","8","2","","Maessen, Stefan J. D.; Lekanne Deprez, Siebe; Vermeeren, Pascal; van den Bersselaar, Bart W. L.; Lutz, Martin; Heuts, Johan P. A.; Fonseca Guerra, Célia; Palmans, Anja R. A.","Structure-property relationships to direct the dynamic properties of acylsemicarbazide-based materials.","Polymer chemistry","2025","16","3","290","300","10.1039/d4py01296h","","","0.71073","MoKα","","0.0503","0.0402","","","0.1033","0.1084","","","","","","1.06","","","","has coordinates","299154","2025-04-05","04:25:45",""
"1573398","10.6143","0.0004","13.2575","0.0005","19.9774","0.0007","90","","90","","90","","2811.2","0.18","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H28 N2 O6 -","- C34 H28 N2 O6 -","- C136 H112 N8 O24 -","4","0.5","","Zhou, Huan; Zhang, Yuxuan; Zheng, Zhiye; Wan, Junhua; Zhang, Hui; Lin, Kunhua; Sessler, Jonathan L.; Wang, Hongyu","Internally diketopyrrolopyrrole-bridged bis-anthracene macrocycle: a multifunctional fluorescent platform.","Chemical science","2025","16","2","910","919","10.1039/d4sc06067a","","","1.54178","CuKα","","0.0389","0.0377","","","0.1001","0.1008","","","","","","1.181","","","","has coordinates","298122","2025-03-04","19:17:00",""
"1573399","11.1096","0.0007","11.2145","0.0006","15.2337","0.0009","68.402","0.003","79.501","0.004","69.937","0.003","1654.2","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H66 N16 O8 -","- C80 H66 N16 O8 -","- C80 H66 N16 O8 -","1","0.5","","Zhou, Huan; Zhang, Yuxuan; Zheng, Zhiye; Wan, Junhua; Zhang, Hui; Lin, Kunhua; Sessler, Jonathan L.; Wang, Hongyu","Internally diketopyrrolopyrrole-bridged bis-anthracene macrocycle: a multifunctional fluorescent platform.","Chemical science","2025","16","2","910","919","10.1039/d4sc06067a","","","1.54178","CuKα","","0.0757","0.065","","","0.1861","0.1961","","","","","","1.058","","","","has coordinates","298122","2025-03-04","19:17:01",""
"1573400","14.3247","0.0002","17.1233","0.0002","23.0646","0.0002","96.822","0.001","98.846","0.001","108.196","0.001","5226.07","0.11","100.01","0.15","100.01","0.15","","","","","","","","5","P -1","-P 1","2","","AOF-PyridineLinker","","- C100 H92 Cl3 N16 O18 -","- C100 H93 Cl3 N16 O18 -","- C200 H186 Cl6 N32 O36 -","2","1","","Wang, Shuhe; Sigl, Johannes; Allmendinger, Lars; Maurizot, Victor; Huc, Ivan","Design of an abiotic unimolecular three-helix bundle.","Chemical science","2025","16","3","1136","1146","10.1039/d4sc07336c","","x-ray","1.54184","CuKα","","0.0854","0.0761","","","0.2384","0.2489","","","","","","1.052","","","","has coordinates,has disorder","298167","2025-03-04","19:34:21",""
"1573401","13.1606","0.0001","17.3713","0.0002","24.34","0.0002","95.661","0.001","93.989","0.001","105.354","0.001","5313.14","0.09","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","AOF-isoQuinolineLinker","","- C104.52 H93.44 Cl2 N19 O17.94 -","- C104.576 H93.568 Cl2 N19 O17.952 -","- C209.152 H187.136 Cl4 N38 O35.904 -","2","1","","Wang, Shuhe; Sigl, Johannes; Allmendinger, Lars; Maurizot, Victor; Huc, Ivan","Design of an abiotic unimolecular three-helix bundle.","Chemical science","2025","16","3","1136","1146","10.1039/d4sc07336c","","x-ray","1.54184","CuKα","","0.0864","0.0806","","","0.2309","0.2368","","","","","","1.053","","","","has coordinates,has disorder","298167","2025-03-04","19:34:21",""
"1573402","6.4767","0.0001","15.7755","0.0003","7.425","0.0002","90","","100.19","0.002","90","","746.67","0.03","300.2","0.1","300.2","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 F N O2 -","- C17 H16 F N O2 -","- C34 H32 F2 N2 O4 -","2","1","","Tian, Kui; Jin, Zhuan; Liu, Xin-Lian; He, Ling; Liu, Hong-Fu; Yu, Pin-Ke; Chang, Xin; Dong, Xiu-Qin; Wang, Chun-Jiang","Stereodivergent assembly of δ-valerolactones with an azaarene-containing quaternary stereocenter enabled by Cu/Ru relay catalysis.","Chemical science","2025","16","3","1233","1240","10.1039/d4sc05852f","","x-ray","1.54184","CuKα","","0.035","0.0336","","","0.093","0.0945","","","","","","1.068","","","","has coordinates","298157","2025-03-04","19:29:53",""
"1573403","7.8385","0.0006","5.253","0.0004","16.8163","0.0013","90","","103.167","0.002","90","","674.22","0.09","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H19 N3 -","- C16 H19 N3 -","- C32 H38 N6 -","2","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.","Chemical science","2025","16","2","876","888","10.1039/d4sc07247b","","","0.71073","MoKα","","0.0867","0.0504","","","0.1069","0.1231","","","","","","1.048","","","","has coordinates","298127","2025-03-04","19:18:54",""
"1573404","10.8196","0.0011","21.236","0.002","24.229","0.003","90","","102.703","0.003","90","","5430.7","1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H67 N5 P2 -","- C65 H67 N5 P2 -","- C260 H268 N20 P8 -","4","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.","Chemical science","2025","16","2","876","888","10.1039/d4sc07247b","","","0.71073","MoKα","","0.0802","0.0523","","","0.1244","0.1427","","","","","","1.034","","","","has coordinates","298127","2025-03-04","19:18:54",""
"1573405","7.2792","0.0008","9.3758","0.001","20.838","0.002","90","","99.559","0.002","90","","1402.4","0.3","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N3 -","- C17 H17 N3 -","- C68 H68 N12 -","4","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.","Chemical science","2025","16","2","876","888","10.1039/d4sc07247b","","","0.71073","MoKα","","0.0655","0.0474","","","0.1228","0.1374","","","","","","1.053","","","","has coordinates","298127","2025-03-04","19:18:54",""
"1573406","10.8647","0.0007","21.2993","0.0015","24.1947","0.0018","90","","102.911","0.002","90","","5457.4","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H66 F N5 P2 -","- C65 H66 F N5 P2 -","- C260 H264 F4 N20 P8 -","4","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.","Chemical science","2025","16","2","876","888","10.1039/d4sc07247b","","","0.71073","MoKα","","0.1331","0.0852","","","0.1848","0.1943","","","","","","1.08","","","","has coordinates","298127","2025-03-04","19:18:55",""
"1573407","4.6237","0.0006","9.0404","0.0011","35.034","0.005","90","","90","","90","","1464.4","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C68 H76 N12 O4 -","4","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.","Chemical science","2025","16","2","876","888","10.1039/d4sc07247b","","","0.71073","MoKα","","0.0558","0.0439","","","0.107","0.1135","","","","","","1.052","","","","has coordinates","298127","2025-03-04","19:18:55",""
"1573408","18.06498","0.0001","19.02813","0.00013","39.8336","0.0002","90","","94.9425","0.0005","90","","13641.6","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Y(Cp*)(FPh)6][{Al[OC(CF3)3]3}2(F)]","","- C206 H123 Al8 F233 O24 Y2 -","- C206 H123 Al8 F233 O24 Y2 -","- C412 H246 Al16 F466 O48 Y4 -","2","0.5","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.1243","0.1186","","","0.3773","0.3889","","","","","","1.919","","","","has coordinates,has disorder","298126","2025-03-04","19:18:29",""
"1573409","15.6166","0.0003","16.3417","0.0005","21.7358","0.0005","90.725","0.002","110.278","0.002","117.066","0.003","4536","0.3","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","[Dy(Cp*)(BH4)2]","","- C74 H154 B12 Dy6 -","- C74 H154 B12 Dy6 -","- C148 H308 B24 Dy12 -","2","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.066","0.0532","","","0.1447","0.1525","","","","","","1.026","","","","has coordinates,has disorder","298126","2025-03-04","19:18:30",""
"1573410","21.7517","0.0007","20.9203","0.0007","18.7796","0.0005","90","","93.564","0.003","90","","8529.2","0.5","103","5","103","5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Dy{OC(CF3)3}2(FPh)5][{Al[OC(CF3)3]3}2(F)]","","- C62 H25 Al2 Dy F78 O8 -","- C62 H25 Al2 Dy F78 O8 -","- C248 H100 Al8 Dy4 F312 O32 -","4","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.1512","0.0807","","","0.2111","0.2544","","","","","","1.01","","","","has coordinates,has disorder","298126","2025-03-04","19:18:30",""
"1573411","8.3735","0.0003","20.8167","0.0005","8.5037","0.0003","90","","117.93","0.005","90","","1309.61","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Dy(Cp*)(BH4)2]","","- C10 H23 B2 Dy -","- C10 H23 B2 Dy -","- C40 H92 B8 Dy4 -","4","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.0518","0.0485","","","0.1319","0.1347","","","","","","1.065","","","","has coordinates","298126","2025-03-04","19:18:30",""
"1573412","16.9654","0.0002","21.7125","0.0002","14.5559","0.0001","90","","90.735","0.001","90","","5361.39","0.09","99.97","0.12","99.97","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Y(Cp*)(BH4)2]","","- C40 H92 B8 Y4 -","- C40 H92 B8 Y4 -","- C160 H368 B32 Y16 -","4","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.0475","0.0332","","","0.0852","0.0913","","","","","","1.041","","","","has coordinates","298126","2025-03-04","19:18:30",""
"1573413","16.6426","0.0005","16.7663","0.0004","18.4889","0.0003","105.461","0.002","104.692","0.002","113.53","0.003","4163.3","0.3","100","0.3","100","0.3","","","","","","","","7","P -1","-P 1","2","","[Y(Cp''')(Cp*)(FPh)2][{Al[OC(CF3)3]3}2(F)]","","- C60 H54 Al2 F57 O6 Si3 Y -","- C60 H54 Al2 F57 O6 Si3 Y -","- C120 H108 Al4 F114 O12 Si6 Y2 -","2","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.1057","0.0906","","","0.2566","0.2741","","","","","","1.062","","","","has coordinates,has disorder","298126","2025-03-04","19:18:30",""
"1573414","18.2139","0.0003","19.314","0.0004","40.1803","0.0006","90","","94.849","0.001","90","","14084.2","0.4","99.9","0.2","99.9","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Dy(Cp*)(FPh)6][{Al[OC(CF3)3]3}2(F)]","","- C206 H123 Al8 Dy2 F233 O24 -","- C206 H123 Al8 Dy2 F233 O24 -","- C412 H246 Al16 Dy4 F466 O48 -","2","0.5","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.1074","0.091","","","0.258","0.2804","","","","","","1.113","","","","has coordinates,has disorder","298126","2025-03-04","19:18:30",""
"1573415","8.6484","0.0007","14.2399","0.0012","13.3208","0.0015","90","","97.498","0.001","90","","1626.5","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N4 O4 W -","- C14 H16 N4 O4 W -","- C56 H64 N16 O16 W4 -","4","0.5","","Jankins, Tanner C.; Rubel, Camille Z.; Ho, Hang Chi; Martin-Montero, Raul; Engle, Keary M.","Tungsten-catalyzed stereodivergent isomerization of terminal olefins.","Chemical science","2025","16","5","2307","2315","10.1039/d4sc07093c","","x-ray","0.71073","MoKα","","0.0187","0.0183","","","0.045","0.0452","","","","","","1.068","","","","has coordinates","298170","2025-03-04","19:35:12",""
"1573416","8.9455","0.0007","10.6935","0.0007","12.0535","0.0008","66.56","0.002","71.07","0.002","71.049","0.002","974.88","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N2 O12 W2 -","- C38 H46 N2 O12 W2 -","- C38 H46 N2 O12 W2 -","1","0.5","","Jankins, Tanner C.; Rubel, Camille Z.; Ho, Hang Chi; Martin-Montero, Raul; Engle, Keary M.","Tungsten-catalyzed stereodivergent isomerization of terminal olefins.","Chemical science","2025","16","5","2307","2315","10.1039/d4sc07093c","","x-ray","0.71073","MoKα","K-L~3~","0.0545","0.0419","","","0.0921","0.0962","","","","","","1.028","","","","has coordinates,has disorder","298170","2025-03-04","19:35:13",""
"1573417","9.2684","0.0003","13.6019","0.0004","14.1589","0.0005","86.53","0.001","85.322","0.001","82.685","0.001","1762.29","0.1","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H20 Cl N O Pd Se -","- C18 H20 Cl N O Pd Se -","- C72 H80 Cl4 N4 O4 Pd4 Se4 -","4","2","","Singh, Sohan; Mahala, Suman; Bhuvanesh, Nattamai; Joshi, Hemant","Pd(ii) NCSe–pincer complexes for regioselective cross-dehydrogenative coupling of arylthiophenes with hetero(arenes)","Catalysis Science & Technology","2025","15","2","523","536","10.1039/D4CY01198H","","","1.54178","CuKα","","0.0197","0.0194","","","0.0513","0.0516","","","","","","1.056","","","","has coordinates","297981","2025-03-04","18:05:07",""
"1573418","6.7272","0.0005","20.8455","0.0015","15.5747","0.0011","90","","92.371","0.003","90","","2182.2","0.3","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl N O Pd Se -","- C24 H26 Cl N O Pd Se -","- C96 H104 Cl4 N4 O4 Pd4 Se4 -","4","1","","Singh, Sohan; Mahala, Suman; Bhuvanesh, Nattamai; Joshi, Hemant","Pd(ii) NCSe–pincer complexes for regioselective cross-dehydrogenative coupling of arylthiophenes with hetero(arenes)","Catalysis Science & Technology","2025","15","2","523","536","10.1039/D4CY01198H","","","1.54178","CuKα","","0.0212","0.021","","","0.0512","0.0513","","","","","","1.17","","","","has coordinates","297981","2025-03-04","18:05:10",""
"1573419","14.924","0.003","15.705","0.003","17.535","0.004","89.652","0.013","88.476","0.013","78.232","0.012","4022.1","1.5","193","","193","","","","","","","","","5","P 1","P 1","1","","","","- C92 H94 Cl4 N5 O12 -","- C83 H73 Cl4 N5 O9 -","- C166 H146 Cl8 N10 O18 -","2","2","","Gao, Ke; Lee, Sang Hyuk; Zhao, Wenkai; Ahn, Jaeyong; Kim, Tae Woo; Li, Zhenping; Zhuo, Huagui; Wang, Zhiwei; Zheng, Xinglong; Yan, Yang; Chang, Gang; Ma, Wei; Zhang, Mingming; Long, Guankui; Oh, Joon Hak; Shang, Xiaobo","Reversal of chirality in solutions and aggregates of chiral tetrachlorinated diperylene diimides towards efficient circularly polarized light detection.","Materials horizons","2025","12","6","1903","1912","10.1039/d4mh01435a","","","0.71073","MoKα","","0.1209","0.0924","","","0.2346","0.2646","","","","","","1.055","","","","has coordinates","299161","2025-04-05","04:27:48",""
"1573430","12.0996","0.0005","10.9016","0.0005","29.2496","0.0012","90","","96.378","0.004","90","","3834.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H43 N3 -","- C51 H43 N3 -","- C204 H172 N12 -","4","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.","Chemical science","2025","16","3","1155","1160","10.1039/d4sc07199a","","x-ray","1.54184","CuKα","","0.0889","0.0575","","","0.1249","0.1414","","","","","","1.047","","","","has coordinates","298158","2025-03-04","19:30:12",""
"1573431","13.211","0.002","20.856","0.002","15.732","0.003","90","","114.86","0.02","90","","3933","1.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H39 B N2 O2 -","- C49 H39 B N2 O2 -","- C196 H156 B4 N8 O8 -","4","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.","Chemical science","2025","16","3","1155","1160","10.1039/d4sc07199a","","x-ray","1.54184","CuKα","","0.1272","0.0543","","","0.1082","0.1332","","","","","","0.778","","","","has coordinates","298158","2025-03-04","19:30:13",""
"1573432","12.2357","0.0004","13.4613","0.0005","14.9649","0.0005","78.284","0.003","77.397","0.003","76.902","0.003","2312.08","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C55 H43 B N2 -","- C55 H43 B N2 -","- C110 H86 B2 N4 -","2","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.","Chemical science","2025","16","3","1155","1160","10.1039/d4sc07199a","","x-ray","1.54184","CuKα","","0.046","0.0406","","","0.0999","0.1039","","","","","","1.036","","","","has coordinates","298158","2025-03-04","19:30:13",""
"1573433","14.4553","0.0006","15.13","0.0006","21.027","0.0007","92.22","0.003","94.235","0.003","98.658","0.004","4528.2","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H41 B N2 O2 -","- C50 H41 B N2 O2 -","- C200 H164 B4 N8 O8 -","4","2","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.","Chemical science","2025","16","3","1155","1160","10.1039/d4sc07199a","","x-ray","1.54184","CuKα","","0.0881","0.0622","","","0.1525","0.1684","","","","","","1.029","","","","has coordinates","298158","2025-03-04","19:30:13",""
"1573434","11.919","0.0012","12.5825","0.0011","14.8081","0.0016","104.186","0.008","110.328","0.009","96.071","0.008","1974","0.4","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C49 H39 B N2 O -","- C49 H39 B N2 O -","- C98 H78 B2 N4 O2 -","2","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.","Chemical science","2025","16","3","1155","1160","10.1039/d4sc07199a","","x-ray","1.54184","CuKα","","0.1507","0.0818","","","0.1879","0.2274","","","","","","1.027","","","","has coordinates","298158","2025-03-04","19:30:13",""
"1573435","11.6677","0.0012","12.7694","0.0011","14.5328","0.0008","103.399","0.007","109.908","0.008","94.935","0.007","1948","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C49 H39 B N2 -","- C49 H39 B N2 -","- C98 H78 B2 N4 -","2","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.","Chemical science","2025","16","3","1155","1160","10.1039/d4sc07199a","","x-ray","1.54184","CuKα","","0.1166","0.0815","","","0.216","0.2447","","","","","","1.047","","","","has coordinates,has disorder","298158","2025-03-04","19:30:13",""
"1573436","9.5864","0.0018","13.892","0.002","17.545","0.004","90","","100.802","0.009","90","","2295.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Br Co N3 O5 -","- C20 H27 Br Co N3 O5 -","- C80 H108 Br4 Co4 N12 O20 -","4","1","","Sahoo, Sangita; Pandey, Vipin K.; Barik, Jogendrananda; Rit, Arnab","Cobalt–NHC promoted selective functionalization of alkynes via auxiliary-ligand modulation","Catalysis Science & Technology","2025","15","3","734","740","10.1039/D4CY01375A","","","0.71073","MoKα","","0.0972","0.0558","","","0.1491","0.1723","","","","","","1.046","","","","has coordinates","297984","2025-03-04","18:06:38",""
"1573437","23.4316","0.0003","20.2535","0.0003","24.6419","0.0003","90","","104.086","0.001","90","","11342.7","0.3","157","10","157","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C126 H170 Mo12 N26 O74 -","- C126 H170 Mo12 N26 O74 -","- C252 H340 Mo24 N52 O148 -","2","0.5","","Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.","Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.","Chemical science","2025","16","6","2589","2599","10.1039/d4sc05037a","","x-ray","1.54184","CuKα","","0.0978","0.0865","","","0.2315","0.2405","","","","","","0.89","","","","has coordinates","298128","2025-03-04","19:19:49",""
"1573438","20.6212","0.0003","20.6212","0.0003","15.9529","0.0003","90","","90","","120","","5874.87","0.16","149.98","0.1","149.98","0.1","","","","","","","","5","P 6/m","-P 6","175","","","","- C108 H108 Mo12 N18 O72 -","- C108 H114 Mo12 N18 O72 -","- C108 H114 Mo12 N18 O72 -","1","0.0833333","","Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.","Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.","Chemical science","2025","16","6","2589","2599","10.1039/d4sc05037a","","x-ray","1.54184","CuKα","","0.1377","0.134","","","0.3398","0.3421","","","","","","1.069","","","","has coordinates,has disorder","298128","2025-03-04","19:19:51",""
"1573439","18.9295","0.0007","20.8274","0.0003","31.777","0.0008","84.01","0.002","86.075","0.003","80.923","0.002","12286.5","0.6","151","1","151","1","","","","","","","","5","P -1","-P 1","2","","","","- C120 H132 Mo12 N18 O72 -","- C120 H132 Mo12 N18 O72 -","- C240 H264 Mo24 N36 O144 -","2","1","","Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.","Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.","Chemical science","2025","16","6","2589","2599","10.1039/d4sc05037a","","x-ray","1.54184","CuKα","","0.2006","0.1516","","","0.3612","0.4018","","","","","","1.023","","","","has coordinates","298128","2025-03-04","19:20:19",""
"1573440","23.4926","0.0003","21.0361","0.0002","24.7119","0.0003","90","","103.643","0.001","90","","11867.9","0.2","156","9","156","9","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144 H204 Mo12 N24 O72 -","- C144 H204 Mo12 N24 O72 -","- C288 H408 Mo24 N48 O144 -","2","0.5","","Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.","Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.","Chemical science","2025","16","6","2589","2599","10.1039/d4sc05037a","","x-ray","1.54184","CuKα","","0.0834","0.0686","","","0.1625","0.1739","","","","","","1.045","","","","has coordinates","298128","2025-03-04","19:20:19",""
"1573441","37.4589","0.0018","29.3487","0.0009","20.1896","0.0006","90","","90","","90","","22195.8","1.4","150.5","0.9","150.5","0.9","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C112 H122 Mo12 N20 O72 -","- C112 H120 Mo12 N20 O72 -","- C448 H480 Mo48 N80 O288 -","4","0.25","","Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.","Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.","Chemical science","2025","16","6","2589","2599","10.1039/d4sc05037a","","x-ray","1.54184","CuKα","","0.104","0.0809","","","0.2115","0.2293","","","","","","0.944","","","","has coordinates,has disorder","298128","2025-03-04","19:20:19",""
"1573442","8.0413","0.0005","14.3206","0.0008","21.6156","0.0008","78.691","0.004","88.151","0.004","87.222","0.005","2437.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","2,5-bis(4-(2,1,3-benzoxadiazolyl))-1,4-bis(4-dodecylphenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole","","- C54.83 H67.65 Cl1.65 N6 O2 -","- C54.824 H67.648 Cl1.648 N6 O2 -","- C109.648 H135.296 Cl3.296 N12 O4 -","2","1","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","x-ray","1.54184","CuKα","","0.0999","0.0732","","","0.1985","0.226","","","","","","1.049","","","","has coordinates,has disorder","298109","2025-03-04","19:08:59",""
"1573443","6.81179","0.00012","8.26449","0.00016","20.8251","0.0004","92.8453","0.0016","96.3218","0.0015","95.0155","0.0015","1158.7","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 N6 S2 -","- C54 H66 N6 S2 -","- C54 H66 N6 S2 -","1","0.5","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","","1.54184","CuKα","","0.0386","0.0345","","","0.0966","0.1064","","","","","","1.115","","","","has coordinates","298109","2025-03-04","19:09:00",""
"1573444","47.3727","0.0018","10.9462","0.0005","9.5717","0.0004","90","","90.519","0.004","90","","4963.2","0.4","120","","120.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H64 N8 O6 -","- C54 H64 N8 O6 -","- C216 H256 N32 O24 -","4","0.5","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","","1.54184","CuKα","","0.1034","0.0561","","","0.134","0.1579","","","","","","1.037","","","","has coordinates","298109","2025-03-04","19:09:00",""
"1573445","6.73075","0.00018","13.0685","0.0004","14.6429","0.0004","90","","91.099","0.003","90","","1287.76","0.06","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N6 S2 -","- C32 H22 N6 S2 -","- C64 H44 N12 S4 -","2","0.5","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","","1.54184","CuKα","","0.0552","0.0472","","","0.1272","0.1329","","","","","","1.126","","","","has coordinates","298109","2025-03-04","19:09:00",""
"1573446","23.4345","0.0004","7.9786","0.0002","13.6019","0.0002","90","","105.599","0.002","90","","2449.54","0.09","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 N6 O2 -","- C32 H22 N6 O2 -","- C128 H88 N24 O8 -","4","0.5","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","x-ray","1.54184","CuKα","","0.0392","0.0358","","","0.0948","0.0969","","","","","","1.05","","","","has coordinates","298109","2025-03-04","19:09:00",""
"1573447","26.3539","0.0014","5.7949","0.0002","16.2792","0.0011","90","","106.857","0.007","90","","2379.3","0.2","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H66 N6 S2 -","- C54 H66 N6 S2 -","- C108 H132 N12 S4 -","2","0.5","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","","1.54184","CuKα","","0.097","0.0634","","","0.1691","0.1972","","","","","","1.067","","","","has coordinates","298109","2025-03-04","19:09:00",""
"1573448","12.653","0.0002","17.7756","0.0003","18.8818","0.0004","90","","102.848","0.002","90","","4140.47","0.13","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H50 N6 O4 -","- C46 H50 N6 O4 -","- C184 H200 N24 O16 -","4","1","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","","1.54184","CuKα","","0.0846","0.0548","","","0.1347","0.1591","","","","","","1.022","","","","has coordinates,has disorder","298109","2025-03-04","19:09:00",""
"1573449","15.31573","0.00019","15.31573","0.00019","56.9773","0.0007","90","","90","","120","","11574.7","0.2","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C60 H59 N24 O29.5 Zn9 -","- C60 H48 N24 O24 Zn9 -","- C360 H288 N144 O144 Zn54 -","6","0.166667","","Tao, Ye; Dong, Qiubing; Wan, Jingmeng; Huang, Fu-Ping; Duan, Jingui; Zeng, Ming-Hua","Evolution from [Zn<sub>9</sub>] to a record-high [Zn<sub>54</sub>] subblock and engineering a hierarchical supramolecular framework for enhanced iodine uptake.","Chemical science","2025","16","4","1730","1736","10.1039/d4sc04474f","","x-ray","0.71073","MoKα","","0.042","0.0355","","","0.0976","0.103","","","","","","1.036","","","","has coordinates","298116","2025-03-04","19:14:24",""
"1573450","58.9792","0.0003","58.9792","0.0003","58.9792","0.0003","90","","90","","90","","205162","1.8","100","0.1","100","0.1","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- C348 H288 I56.6 N156 O118.8 Zn54 -","- C348 H288 I9.5984 N156 O118.8 Zn54 -","- C2784 H2304 I76.7872 N1248 O950.4 Zn432 -","8","0.0833333","","Tao, Ye; Dong, Qiubing; Wan, Jingmeng; Huang, Fu-Ping; Duan, Jingui; Zeng, Ming-Hua","Evolution from [Zn<sub>9</sub>] to a record-high [Zn<sub>54</sub>] subblock and engineering a hierarchical supramolecular framework for enhanced iodine uptake.","Chemical science","2025","16","4","1730","1736","10.1039/d4sc04474f","","x-ray","1.54184","CuKα","","0.0865","0.0672","","","0.2132","0.2336","","","","","","1.001","","","","has coordinates,has disorder","298116","2025-03-04","19:14:24",""
"1573451","58.3017","0.0002","58.3017","0.0002","58.3017","0.0002","90","","90","","90","","198173","1.2","100","0.1","100","0.1","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C523.2 H705.2 N195.61 O170 Zn54 -","- C385.2 H367.2 N165.6 O108 Zn54 -","- C3081.6 H2937.6 N1324.8 O864 Zn432 -","8","0.0833333","","Tao, Ye; Dong, Qiubing; Wan, Jingmeng; Huang, Fu-Ping; Duan, Jingui; Zeng, Ming-Hua","Evolution from [Zn<sub>9</sub>] to a record-high [Zn<sub>54</sub>] subblock and engineering a hierarchical supramolecular framework for enhanced iodine uptake.","Chemical science","2025","16","4","1730","1736","10.1039/d4sc04474f","","x-ray","1.54184","CuKα","","0.0434","0.039","","","0.1259","0.1288","","","","","","1.012","","","","has coordinates,has disorder","298116","2025-03-04","19:14:24",""
"1573452","15.5814","0.0007","16.4046","0.0008","17.843","0.0008","90","","90","","90","","4560.8","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H30 Co2 Mo8 N14 O34 -","- C18 H30 Co2 Mo8 N14 O34 -","- C72 H120 Co8 Mo32 N56 O136 -","4","0.5","","Xie, Tinghui; Wang, Xinfang; Cao, Tingting; Huang, Zuogang; Yu, Huaguang","A series of isostructural polyoxometalate-based metal-organic frameworks of 3,5-bis(1',2',4'-triazol-1'-yl)pyridine: synthesis, structures and electrocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","903","907","10.1039/d4dt02945c","","","0.71073","MoKα","","0.0193","0.0183","","","0.0458","0.0462","","","","","","1.191","","","","has coordinates","298944","2025-04-05","03:23:18",""
"1573453","15.5823","0.0006","16.4405","0.0007","17.8841","0.0007","90","","90","","90","","4581.6","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H30 Mo8 N14 O34 Zn2 -","- C18 H30 Mo8 N14 O34 Zn2 -","- C72 H120 Mo32 N56 O136 Zn8 -","4","0.5","","Xie, Tinghui; Wang, Xinfang; Cao, Tingting; Huang, Zuogang; Yu, Huaguang","A series of isostructural polyoxometalate-based metal-organic frameworks of 3,5-bis(1',2',4'-triazol-1'-yl)pyridine: synthesis, structures and electrocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","903","907","10.1039/d4dt02945c","","","0.71073","MoKα","","0.0319","0.0225","","","0.0453","0.048","","","","","","1.046","","","","has coordinates","298944","2025-04-05","03:23:18",""
"1573454","15.7082","0.0012","16.2936","0.0012","17.7195","0.0013","90","","90","","90","","4535.2","0.6","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H30 Mo8 N14 Ni2 O34 -","- C18 H30 Mo8 N14 Ni2 O34 -","- C72 H120 Mo32 N56 Ni8 O136 -","4","0.5","","Xie, Tinghui; Wang, Xinfang; Cao, Tingting; Huang, Zuogang; Yu, Huaguang","A series of isostructural polyoxometalate-based metal-organic frameworks of 3,5-bis(1',2',4'-triazol-1'-yl)pyridine: synthesis, structures and electrocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","903","907","10.1039/d4dt02945c","","","0.71073","MoKα","","0.0179","0.017","","","0.0419","0.0422","","","","","","1.238","","","","has coordinates","298944","2025-04-05","03:23:18",""
"1573455","13.8725","0.0009","29.1188","0.0018","9.362","0.0006","90","","127.298","0.002","90","","3008.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Br2 F2 N4 O2 -","- C34 H22 Br2 F2 N4 O2 -","- C136 H88 Br8 F8 N16 O8 -","4","0.5","","Qi, Liang-Wen; Twumasi, Emmanuella Bema; Li, Xiao-Wei; Li, Rui; Lu, Yixin","Reductive coupling of azonaphthalenes for the synthesis of BINAMs <i>via</i> a diboron-enabled [5,5]-sigmatropic rearrangement.","Chemical science","2025","16","3","1441","1446","10.1039/d4sc06273f","","","0.71073","MoKα","","0.0313","0.0266","","","0.064","0.0665","","","","","","1.034","","","","has coordinates,has disorder","298160","2025-03-04","19:30:44",""
"1573456","20.812","0.007","7.486","0.003","13.413","0.004","90","","105.313","0.007","90","","2015.5","1.2","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N O S -","- C28 H19 N O S -","- C112 H76 N4 O4 S4 -","4","1","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.1384","0.0915","","","0.2075","0.2539","","","","","","1.024","","","","has coordinates","298121","2025-03-04","19:16:46",""
"1573457","23.545","0.002","7.4959","0.0007","24.005","0.002","90","","117.294","0.004","90","","3765","0.6","140","2","140","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 N O S -","- C25 N O S -","- C200 N8 O8 S8 -","8","2","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.1572","0.0912","","","0.2367","0.2903","","","","","","1.039","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573458","11.7018","0.0007","13.6726","0.0008","21.985","0.0014","90","","91.133","0.003","90","","3516.8","0.4","139","2","139","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O S -","- C24 H17 N O S -","- C192 H136 N8 O8 S8 -","8","2","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.0656","0.0458","","","0.1164","0.131","","","","","","1.032","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573459","8.381","0.002","20.496","0.007","11.336","0.004","90","","105.075","0.007","90","","1880.3","1","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N O S -","- C25 H19 N O S -","- C100 H76 N4 O4 S4 -","4","1","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.0447","0.0397","","","0.0973","0.1008","","","","","","1.043","","","","has coordinates","298121","2025-03-04","19:16:46",""
"1573460","32.1279","0.0014","32.1279","0.0014","9.3505","0.0005","90","","90","","120","","8358.5","0.7","140","2","140","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H19 N O S -","- C24 H19 N O S -","- C432 H342 N18 O18 S18 -","18","1","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","1.54178","CuKα","","0.0895","0.0713","","","0.2071","0.2249","","","","","","1.146","","","","has coordinates","298121","2025-03-04","19:16:46",""
"1573461","5.9514","0.0019","16.6","0.005","22.163","0.007","90","","90.368","0.014","90","","2189.5","1.2","120","2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H21 N O S -","- C30 H21 N O S -","- C120 H84 N4 O4 S4 -","4","2","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.235","0.1177","","","0.2794","0.3453","","","","","","1.024","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573462","12.2581","0.0006","25.0852","0.0011","12.7705","0.0006","90","","95.524","0.002","90","","3908.7","0.3","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N O S -","- C26 H19 N O S -","- C208 H152 N8 O8 S8 -","8","2","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.0447","0.0389","","","0.1032","0.1088","","","","","","1.022","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573463","7.3105","0.0008","9.5818","0.001","26.479","0.003","90","","90","","90","","1854.8","0.4","140","2","140","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N O2 S -","- C24 H17 N O2 S -","- C96 H68 N4 O8 S4 -","4","1","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.1755","0.0689","","","0.1323","0.1729","","","","","","0.9935","","","","has coordinates","298121","2025-03-04","19:16:46",""
"1573464","7.2891","0.0001","9.7884","0.0002","15.6447","0.0003","88.064","0.001","84.589","0.001","80.174","0.001","1094.77","0.03","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 F O6 -","- C26 H25 F O6 -","- C52 H50 F2 O12 -","2","1","","Zhang, Kuan; Gao, Zhengyang; Xia, Yan; Li, Pengfei; Gao, Pin; Duan, Xin-Hua; Guo, Li-Na","Synthesis of fluorine-containing bicyclo[4.1.1]octenes <i>via</i> photocatalyzed defluorinative (4 + 3) annulation of bicyclo[1.1.0]butanes with <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","3","1411","1416","10.1039/d4sc07243j","","","1.54184","CuKα","","0.0491","0.0474","","","0.1264","0.1282","","","","","","1.03","","","","has coordinates","298165","2025-03-04","19:33:24",""
"1573465","11.4103","0.0002","16.6264","0.0003","9.2337","0.0001","90","","90","","90","","1751.75","0.05","301","","301","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H19 F O2 -","- C22 H19 F O2 -","- C88 H76 F4 O8 -","4","1","","Zhang, Kuan; Gao, Zhengyang; Xia, Yan; Li, Pengfei; Gao, Pin; Duan, Xin-Hua; Guo, Li-Na","Synthesis of fluorine-containing bicyclo[4.1.1]octenes <i>via</i> photocatalyzed defluorinative (4 + 3) annulation of bicyclo[1.1.0]butanes with <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","3","1411","1416","10.1039/d4sc07243j","","","1.54178","CuKα","","0.0376","0.0355","","","0.0949","0.0972","","","","","","1.027","","","","has coordinates","298165","2025-03-04","19:33:34",""
"1573466","9.5134","0.0015","9.874","0.0015","24.656","0.004","90","","90","","90","","2316.1","0.6","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 F3 Fe N O2 S -","- C27 H22 F3 Fe N O2 S -","- C108 H88 F12 Fe4 N4 O8 S4 -","4","1","","Parganiha, Devendra; Thorat, Raviraj Ananda; Dhumale, Ashwini Dilip; Upadhyay, Yagya Dutt; Jha, Raushan Kumar; Raju, Saravanan; Kumar, Sangit","Substrate NOBINAc ligand affinity for Pd<sup>II</sup>-catalyzed enantioselective C-H activation over reactive β-C-H bonds in ferrocenyl amines.","Chemical science","2025","16","2","700","708","10.1039/d4sc06867j","","","1.54178","CuKα","","0.1008","0.094","","","0.2625","0.268","","","","","","1.115","","","","has coordinates,has disorder","298117","2025-03-04","19:15:05",""
"1573467","9.65","0.0006","10.5668","0.0006","11.6109","0.0008","89.893","0.002","69.144","0.002","67.203","0.002","1007.15","0.11","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20 F3 Fe N O2 S -","- C22 H20 F3 Fe N O2 S -","- C44 H40 F6 Fe2 N2 O4 S2 -","2","1","","Parganiha, Devendra; Thorat, Raviraj Ananda; Dhumale, Ashwini Dilip; Upadhyay, Yagya Dutt; Jha, Raushan Kumar; Raju, Saravanan; Kumar, Sangit","Substrate NOBINAc ligand affinity for Pd<sup>II</sup>-catalyzed enantioselective C-H activation over reactive β-C-H bonds in ferrocenyl amines.","Chemical science","2025","16","2","700","708","10.1039/d4sc06867j","","","0.71073","MoKα","","0.0346","0.0296","","","0.0749","0.0788","","","","","","1.028","","","","has coordinates","301209","2025-07-10","11:18:53",""
"1573468","9.5665","0.0014","9.829","0.0017","25.415","0.004","90","","90","","90","","2389.8","0.7","303","","303","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 F3 Fe N O2 S -","- C27 H22 F3 Fe N O2 S -","- C108 H88 F12 Fe4 N4 O8 S4 -","4","1","","Parganiha, Devendra; Thorat, Raviraj Ananda; Dhumale, Ashwini Dilip; Upadhyay, Yagya Dutt; Jha, Raushan Kumar; Raju, Saravanan; Kumar, Sangit","Substrate NOBINAc ligand affinity for Pd<sup>II</sup>-catalyzed enantioselective C-H activation over reactive β-C-H bonds in ferrocenyl amines.","Chemical science","2025","16","2","700","708","10.1039/d4sc06867j","","","0.71073","MoKα","","0.0507","0.0388","","","0.0892","0.0959","","","","","","1.049","","","","has coordinates","298117","2025-03-04","19:15:07",""
"1573469","8.0608","0.0002","14.5789","0.0003","16.1846","0.0004","72.495","0.002","82.655","0.002","74.413","0.002","1744.9","0.08","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C24 H21 Ag2 Cl3 F12 N12 P2 -","- C24 H21 Ag2 Cl3 F12 N12 P2 -","- C48 H42 Ag4 Cl6 F24 N24 P4 -","2","1","","Panda, Subhra Jyoti; Khator, Kanha Ram; Deswal, Priyanka; Nayak, Shashwat; Pandey, Durgesh; Patel, Suraj K.; Agrawalla, Suraj Kumar; Ghosh, Dibyajyoti; Senanayak, Satyaprasad P.; Purohit, Chandra Shekhar","Silver-purine MOFs for high-performance multi-terminal neuromorphic memory.","Materials horizons","2025","12","7","2208","2222","10.1039/d4mh01425a","","x-ray","0.71073","MoKα","","0.0505","0.0389","","","0.0762","0.0799","","","","","","1.056","","","","has coordinates,has disorder","299162","2025-04-05","04:28:07",""
"1573470","12.0279","0.0006","8.6719","0.0004","12.8186","0.0006","90","","108.416","0.005","90","","1268.57","0.11","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Ag Cl F6 N4 Sb -","- C6 H5 Ag Cl F6 N4 Sb -","- C24 H20 Ag4 Cl4 F24 N16 Sb4 -","4","1","","Panda, Subhra Jyoti; Khator, Kanha Ram; Deswal, Priyanka; Nayak, Shashwat; Pandey, Durgesh; Patel, Suraj K.; Agrawalla, Suraj Kumar; Ghosh, Dibyajyoti; Senanayak, Satyaprasad P.; Purohit, Chandra Shekhar","Silver-purine MOFs for high-performance multi-terminal neuromorphic memory.","Materials horizons","2025","12","7","2208","2222","10.1039/d4mh01425a","","x-ray","0.71073","MoKα","","0.0422","0.0383","","","0.0952","0.0969","","","","","","1.098","","","","has coordinates,has disorder","299162","2025-04-05","04:28:07",""
"1573471","11.9676","0.0006","8.4366","0.0004","12.5599","0.0005","90","","108.484","0.005","90","","1202.7","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Ag Cl F6 N4 P -","- C6 H5 Ag Cl F6 N4 P -","- C24 H20 Ag4 Cl4 F24 N16 P4 -","4","1","","Panda, Subhra Jyoti; Khator, Kanha Ram; Deswal, Priyanka; Nayak, Shashwat; Pandey, Durgesh; Patel, Suraj K.; Agrawalla, Suraj Kumar; Ghosh, Dibyajyoti; Senanayak, Satyaprasad P.; Purohit, Chandra Shekhar","Silver-purine MOFs for high-performance multi-terminal neuromorphic memory.","Materials horizons","2025","12","7","2208","2222","10.1039/d4mh01425a","","x-ray","0.71073","MoKα","","0.0394","0.0338","","","0.079","0.0817","","","","","","1.07","","","","has coordinates,has disorder","299162","2025-04-05","04:28:07",""
"1573472","16.2142","0.0006","17.5601","0.0005","13.5028","0.0005","90","","106.381","0.004","90","","3688.5","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Ag2 Cl3 F12 N12 Sb2 -","- C24 H21 Ag2 Cl3 F12 N12 Sb2 -","- C96 H84 Ag8 Cl12 F48 N48 Sb8 -","4","1","","Panda, Subhra Jyoti; Khator, Kanha Ram; Deswal, Priyanka; Nayak, Shashwat; Pandey, Durgesh; Patel, Suraj K.; Agrawalla, Suraj Kumar; Ghosh, Dibyajyoti; Senanayak, Satyaprasad P.; Purohit, Chandra Shekhar","Silver-purine MOFs for high-performance multi-terminal neuromorphic memory.","Materials horizons","2025","12","7","2208","2222","10.1039/d4mh01425a","","x-ray","0.71073","MoKα","","0.0612","0.0373","","","0.0786","0.0858","","","","","","1.04","","","","has coordinates,has disorder","299162","2025-04-05","04:28:07",""
"1573473","19.6202","0.0003","9.6407","0.0002","14.9332","0.0003","90","","91.131","0.002","90","","2824.1","0.09","173","0.1","173","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C11 H11 Cl2 N3 O2 Pd -","- C11 H11 Cl2 N3 O2 Pd -","- C88 H88 Cl16 N24 O16 Pd8 -","8","1","","Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin","Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands.","Catalysis science & technology","2025","15","3","867","877","10.1039/d4cy01337a","","x-ray","0.71073","MoKα","","0.0252","0.0222","","","0.0584","0.0595","","","","","","1.107","","","","has coordinates","297983","2025-03-04","18:06:23",""
"1573474","11.62997","0.00006","14.78476","0.00007","11.92053","0.00006","90","","105.047","0.0005","90","","1979.42","0.018","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl2 N4 O Pd -","- C19 H20 Cl2 N4 O Pd -","- C76 H80 Cl8 N16 O4 Pd4 -","4","1","","Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin","Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands.","Catalysis science & technology","2025","15","3","867","877","10.1039/d4cy01337a","","x-ray","1.54184","CuKα","","0.0238","0.0237","","","0.0615","0.0615","","","","","","1.17","","","","has coordinates,has disorder","297983","2025-03-04","18:06:23",""
"1573475","8.91557","0.00012","10.26115","0.00013","18.9836","0.0002","90","","90","","90","","1736.7","0.04","173","0.1","173","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl2 N4 O Pd -","- C14 H18 Cl2 N4 O Pd -","- C56 H72 Cl8 N16 O4 Pd4 -","4","1","","Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin","Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands.","Catalysis science & technology","2025","15","3","867","877","10.1039/d4cy01337a","","x-ray","0.71073","MoKα","","0.0374","0.033","","","0.0763","0.0781","","","","","","1.109","","","","has coordinates,has disorder","297983","2025-03-04","18:06:23",""
"1573476","10.9705","0.00013","23.0363","0.0002","14.0725","0.00015","90","","90","","90","","3556.4","0.06","173","0.1","173","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H14 Cl2 N4 O Pd -","- C12 H14 Cl2 N4 O Pd -","- C96 H112 Cl16 N32 O8 Pd8 -","8","1","","Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin","Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands.","Catalysis science & technology","2025","15","3","867","877","10.1039/d4cy01337a","","x-ray","0.71073","MoKα","","0.0247","0.0227","","","0.0603","0.0611","","","","","","1.11","","","","has coordinates","297983","2025-03-04","18:06:23",""
"1573477","16.6633","0.0006","4.7294","0.0002","19.6488","0.0007","90","","110.091","0.004","90","","1454.24","0.1","99.9","0.3","99.9","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","YC5049","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0389","0.0321","","","0.0817","0.0867","","","","","","1.039","","","","has coordinates","296941","2024-12-21","02:46:56",""
"1573478","16.6728","0.0005","4.7388","0.0001","19.668","0.0006","90","","110.024","0.003","90","","1460.01","0.08","130","0.3","130","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0422","0.0351","","","0.0895","0.0967","","","","","","1.036","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573479","16.6842","0.0006","4.7293","0.0001","19.692","0.0007","90","","110.036","0.004","90","","1459.75","0.09","140","0.14","140","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0428","0.0402","","","0.1115","0.1152","","","","","","1.035","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573480","16.6876","0.0007","4.7329","0.0002","19.6859","0.0009","90","","110.002","0.005","90","","1461.02","0.12","145.05","0.1","145.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0435","0.0407","","","0.1134","0.1176","","","","","","1.048","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573481","16.6834","0.0008","4.7362","0.0002","19.6927","0.001","90","","109.981","0.006","90","","1462.37","0.13","150.05","0.1","150.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0433","0.0407","","","0.1139","0.1175","","","","","","1.04","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573482","16.6852","0.0007","4.7457","0.0002","19.6763","0.0007","90","","109.949","0.004","90","","1464.54","0.11","150.1","0.2","150.1","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0428","0.0352","","","0.0922","0.1001","","","","","","1.045","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573483","16.6821","0.0008","4.7392","0.0002","19.6849","0.0009","90","","109.948","0.005","90","","1462.91","0.12","155.05","0.1","155.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0443","0.0415","","","0.1182","0.1217","","","","","","1.058","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573484","16.6868","0.0006","4.7394","0.0001","19.6945","0.0007","90","","109.936","0.004","90","","1464.21","0.09","160.05","0.1","160.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0438","0.0407","","","0.1122","0.1165","","","","","","1.052","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573485","16.6819","0.0006","4.7422","0.0002","19.6945","0.0008","90","","109.915","0.004","90","","1464.84","0.11","165.05","0.1","165.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0435","0.0402","","","0.1112","0.116","","","","","","1.052","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573486","16.6847","0.0007","4.7475","0.0002","19.6847","0.0009","90","","109.844","0.005","90","","1466.65","0.12","170","0.14","170","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0447","0.0414","","","0.1151","0.1196","","","","","","1.065","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573487","16.6837","0.0007","4.75","0.0002","19.6845","0.0008","90","","109.814","0.005","90","","1467.6","0.12","175.1","0.2","175.1","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.044","0.0411","","","0.1137","0.1185","","","","","","1.05","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573488","16.6837","0.0006","4.7513","0.0002","19.6812","0.0008","90","","109.784","0.004","90","","1468.03","0.11","180.1","0.2","180.1","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0442","0.0411","","","0.1137","0.1181","","","","","","1.05","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573489","16.68","0.0007","4.7547","0.0002","19.6846","0.0008","90","","109.773","0.005","90","","1469.11","0.12","185.1","0.14","185.1","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.045","0.042","","","0.1167","0.1208","","","","","","1.049","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573490","16.6841","0.0007","4.7564","0.0002","19.6818","0.0008","90","","109.74","0.005","90","","1470.09","0.12","190","0.14","190","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0446","0.0412","","","0.1132","0.1181","","","","","","1.035","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573491","16.6798","0.0005","4.7618","0.0001","19.6808","0.0007","90","","109.657","0.004","90","","1472.07","0.08","200.05","0.1","200.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0439","0.0406","","","0.1131","0.1173","","","","","","1.045","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573492","16.684","0.0007","4.7634","0.0002","19.6972","0.0007","90","","109.674","0.004","90","","1474.01","0.11","200.1","0.3","200.1","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0418","0.0338","","","0.0862","0.093","","","","","","1.046","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573493","16.6906","0.0009","4.7903","0.0002","19.6824","0.0009","90","","109.367","0.005","90","","1484.62","0.13","249.9","0.2","249.9","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0472","0.0349","","","0.0889","0.0986","","","","","","1.059","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573494","16.692","0.0004","4.8145","0.0001","19.6756","0.0005","90","","109.059","0.003","90","","1494.53","0.07","299.95","0.1","299.95","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0488","0.0433","","","0.1207","0.1282","","","","","","1.059","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573495","16.6911","0.001","4.8164","0.0003","19.6669","0.001","90","","109.032","0.006","90","","1494.62","0.16","299.6","0.8","299.6","0.8","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0512","0.0371","","","0.0967","0.1083","","","","","","1.024","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573496","16.6","0.04","4.7781","0.0004","19.218","0.009","90","","110.32","0.13","90","","1429","4","295","2","295","2","","","640000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.143","0.0799","","","0.1933","0.2267","","","","","","1.067","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573497","16.56","0.03","4.7226","0.0003","19.187","0.007","90","","110.99","0.11","90","","1401","3","295","2","295","2","","","940000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1748","0.0869","","","0.2034","0.2645","","","","","","1.123","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573498","16.6147","0.0011","4.8463","0.0004","19.3274","0.0011","90","","109.551","0.007","90","","1466.51","0.19","99.9","0.3","99.9","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0901","0.0649","","","0.1613","0.1868","","","","","","1.035","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573499","16.6128","0.0004","4.8607","0.0001","19.3367","0.0005","90","","109.37","0.003","90","","1473.05","0.07","140.05","0.1","140.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0428","0.0407","","","0.1108","0.1134","","","","","","1.038","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573500","16.55","0.03","4.6266","0.0003","19.089","0.006","90","","111.96","0.09","90","","1356","3","295","2","295","2","","","1410000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1394","0.091","","","0.2251","0.2743","","","","","","1.097","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573501","16.6153","0.0005","4.8619","0.0001","19.34","0.0005","90","","109.35","0.003","90","","1474.07","0.07","145.05","0.1","145.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0428","0.0408","","","0.1115","0.1141","","","","","","1.039","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573502","16.6155","0.0004","4.8646","0.0001","19.3384","0.0005","90","","109.321","0.003","90","","1475.05","0.07","150.05","0.1","150.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0433","0.0415","","","0.1144","0.1168","","","","","","1.07","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573503","16.6252","0.0013","4.8647","0.0004","19.3379","0.0011","90","","109.278","0.008","90","","1476.3","0.2","150.1","0.14","150.1","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0902","0.0597","","","0.1546","0.1899","","","","","","1.044","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573504","16.6176","0.0004","4.8671","0.0001","19.3394","0.0005","90","","109.301","0.003","90","","1476.25","0.07","155.05","0.1","155.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0439","0.0416","","","0.1154","0.1184","","","","","","1.077","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573505","16.6174","0.0003","4.8695","0.0001","19.3375","0.0004","90","","109.268","0.002","90","","1477.11","0.05","160.05","0.1","160.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0435","0.0411","","","0.1138","0.1176","","","","","","1.064","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573506","16.6187","0.0003","4.872","0.0001","19.3377","0.0004","90","","109.242","0.002","90","","1478.23","0.05","165.05","0.1","165.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0445","0.0422","","","0.116","0.1191","","","","","","1.05","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573507","16.6197","0.0003","4.8747","0.0001","19.3362","0.0004","90","","109.217","0.002","90","","1479.25","0.05","170","0.14","170","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0448","0.042","","","0.1149","0.1196","","","","","","1.041","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573508","16.6216","0.0004","4.877","0.0001","19.3388","0.0004","90","","109.193","0.002","90","","1480.54","0.06","175","0.14","175","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0456","0.0432","","","0.1182","0.1218","","","","","","1.057","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573509","16.6256","0.0003","4.8792","0.0001","19.3393","0.0004","90","","109.164","0.002","90","","1481.86","0.05","180","0.14","180","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0459","0.0436","","","0.1191","0.1229","","","","","","1.059","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573510","16.6268","0.0003","4.881","0.0001","19.3397","0.0004","90","","109.141","0.002","90","","1482.75","0.05","185.05","0.1","185.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0453","0.043","","","0.1176","0.1211","","","","","","1.052","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573511","16.6279","0.0003","4.8825","0.0001","19.3411","0.0004","90","","109.105","0.002","90","","1483.73","0.05","190","0.1","190","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0458","0.0437","","","0.1203","0.1235","","","","","","1.068","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573512","16.53","0.02","4.5612","0.0003","19.065","0.007","90","","112.63","0.1","90","","1326.8","1.9","295","2","295","2","","","1930000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1668","0.0889","","","0.217","0.2908","","","","","","1.071","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573513","16.6313","0.0005","4.8871","0.0001","19.3441","0.0006","90","","109.05","0.003","90","","1486.16","0.08","199.95","0.1","199.95","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0461","0.0436","","","0.1199","0.1251","","","","","","1.062","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573514","16.6408","0.001","4.8878","0.0003","19.3501","0.001","90","","109.048","0.006","90","","1487.7","0.16","200.1","0.3","200.1","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0898","0.0588","","","0.1475","0.1883","","","","","","1.087","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573515","16.48","0.04","4.5205","0.0004","19.083","0.012","90","","113.24","0.16","90","","1306","4","295","2","295","2","","","2460000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1127","0.0583","","","0.1512","0.1868","","","","","","1.106","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573516","16.6494","0.0014","4.9069","0.0004","19.3575","0.0013","90","","108.812","0.009","90","","1497","0.2","250","0.14","250","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0824","0.0528","","","0.1372","0.1652","","","","","","1.021","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573517","16.469","0.014","4.4857","0.0002","19.042","0.004","90","","113.63","0.05","90","","1288.8","1.2","295","2","295","2","","","2760000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1295","0.0878","","","0.2301","0.2812","","","","","","1.128","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573518","16.462","0.012","4.4828","0.0002","19.038","0.003","90","","113.66","0.05","90","","1286.8","1.1","295","2","295","2","","","2870000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1303","0.0857","","","0.2175","0.2702","","","","","","1.018","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573519","16.446","0.01","4.46879","0.00018","19.038","0.003","90","","113.81","0.04","90","","1280.1","0.9","295","2","295","2","","","2900000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","","0.71073","MoKα","","0.0966","0.0602","","","0.1447","0.1738","","","","","","1.049","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573520","16.33","0.07","4.4824","0.0009","19.06","0.02","90","","113.4","0.3","90","","1280","6","295","2","295","2","","","2970000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1125","0.0727","","","0.1827","0.2271","","","","","","1.037","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573521","16.6688","0.0005","4.9269","0.0001","19.3733","0.0006","90","","108.522","0.003","90","","1508.63","0.08","300","0.14","300","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0521","0.0483","","","0.1349","0.1416","","","","","","1.067","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573522","16.661","0.0013","4.9284","0.0004","19.3767","0.0013","90","","108.52","0.008","90","","1508.7","0.2","300.1","0.8","300.1","0.8","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0834","0.0515","","","0.1275","0.1536","","","","","","1.013","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573523","16.429","0.012","4.4214","0.0003","19.02","0.004","90","","114.32","0.05","90","","1259","1.1","295","2","295","2","","","3290000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.0977","0.0616","","","0.1393","0.1618","","","","","","1.069","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573524","16.44","0.09","4.4104","0.0011","18.97","0.03","90","","114","0.4","90","","1257","8","295","2","295","2","","","3470000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1214","0.0663","","","0.1559","0.1866","","","","","","1.111","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573525","16.46","0.06","4.3839","0.0007","18.94","0.02","90","","114.3","0.3","90","","1246","6","295","2","295","2","","","3730000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1379","0.0904","","","0.2204","0.2711","","","","","","1.037","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573526","16.6711","0.0003","4.9272","0.0001","19.3744","0.0004","90","","108.512","0.002","90","","1509.1","0.05","295","2","295","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0441","0.0368","","","0.0984","0.1049","","","","","","1.031","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573527","6.6911","0.0002","21.7491","0.0008","12.1069","0.0005","90","","103.068","0.002","90","","1716.23","0.11","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Cl2 O2 P S -","- C16 H21 Cl2 O2 P S -","- C64 H84 Cl8 O8 P4 S4 -","4","1","","Bouzid, Moad; Poinsot, Didier; Mboyi, Clève D; Ochmann, Lukas; Domenichini, Bruno; Schreiner, Peter R.; Hierso, Jean-Cyrille","Sulfur functionalized diamondoid phosphines enable building nanocomposites interfacing sp<sup>3</sup>-carbon and gold nanolayers.","Nanoscale","2025","17","7","4123","4131","10.1039/d4nr03511a","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0556","0.0363","","","0.0754","0.0834","","","","","","1.08","","","","has coordinates","298975","2025-04-05","03:32:47",""
"1573528","7.7405","0.0004","13.6302","0.0007","12.6387","0.0006","90","","104.82","0.003","90","","1289.08","0.11","110","0.1","110","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 P S -","- C14 H21 P S -","- C56 H84 P4 S4 -","4","1","","Bouzid, Moad; Poinsot, Didier; Mboyi, Clève D; Ochmann, Lukas; Domenichini, Bruno; Schreiner, Peter R.; Hierso, Jean-Cyrille","Sulfur functionalized diamondoid phosphines enable building nanocomposites interfacing sp<sup>3</sup>-carbon and gold nanolayers.","Nanoscale","2025","17","7","4123","4131","10.1039/d4nr03511a","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0613","0.0375","","","0.0913","0.1051","","","","","","1.021","","","","has coordinates,has disorder","298975","2025-04-05","03:32:47",""
"1573529","6.5252","0.0001","18.9769","0.0003","9.7779","0.0002","90","","108.857","0.0006","90","","1145.79","0.03","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- Al2 Ca H6 O13 Si3 -","- Al2 Ca H6 O13 Si3 -","- Al8 Ca4 H24 O52 Si12 -","4","1","","Tajiri, Hiroo; Kohara, Shinji; Kimura, Koji; Halubai, Sekhar; Morimoto, Haruto; Happo, Naohisa; Stellhorn, Jens R.; Onodera, Yohei; Qiao, Xvsheng; Urushihara, Daisuke; Hu, Peidong; Wakihara, Toru; Kinoshita, Toyohiko; Hayashi, Koichi","Diffractometer for element-specific analysis on local structures using a combination of X-ray fluorescence holography and anomalous X-ray scattering.","Journal of synchrotron radiation","2025","32","1","125","132","10.1107/S1600577524011366","","x-ray","0.71073","MoKα","","0.0266","0.024","","","0.0619","0.073","","","","1.95","1.95","2.26","","","","has coordinates","296959","2024-12-24","03:00:09",""
"1573535","11.117","0.0011","17.8366","0.0019","11.8094","0.0012","90","","114.213","0.003","90","","2135.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-acetato-κ^4^<i>O</i>:<i>O'</i>-bis{(acetato-κ^2^<i>O</i>,<i>O</i>')tetraaqua[1-(pyridin-2-ylmethylidene-κ<i>N</i>)-2-(pyridin-2-yl-κ<i>N</i>)hydrazine-κ<i>N</i>^1^]lanthanum(III)} dinitrate hemihydrate","","- C30 H41 La2 N10 O18.5 -","- C30 H41 La2 N10 O18.5 -","- C60 H82 La4 N20 O37 -","2","0.5","PK2715","Ndiaye-Gueye, Mbossé; Traoré, Bocar; Thiam, Ibrahima Elhadji; Diouf, Ousmane; Wenger, Emmanuel; Sall, Abdou Salam; Lecomte, Claude; Gaye, Mohamed","","Acta Crystallographica, Section E: Crystallographic Communications","2025","81","1","85","89","10.1107/S2056989024012349","","","0.71073","MoKα","","0.0774","0.0387","","","0.0572","0.0638","","","","","","1.041","","","","has coordinates,has disorder","300305","2025-07-03","09:19:23",""
"1573538","3.7638","0.0001","9.286","0.003","26.194","0.002","90","","93.786","0.002","90","","913.5","0.3","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[(<i>E</i>)-(4-Hydroxyphenyl)methylidene]-1<i>H</i>-1,2,4-triazol-3-amine","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C36 H40 N16 O8 -","4","1","ZN2040","Boutheina, Boualia; Zakaria, Bouhidel; Cherouana, Aouatef; El-Eulmi, Bendeif","","Acta Crystallographica, Section E: Crystallographic Communications","2025","81","1","80","84","10.1107/S205698902401209X","","x-ray","0.71073","MoKα","","0.0761","0.0476","","","0.1193","0.1385","","","","","","1.098","","","","has coordinates","300305","2025-07-03","09:19:26",""
"1573541","12.6672","0.0014","6.1624","0.0006","18.016","0.002","90","","106.967","0.012","90","","1345.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Na4 O10 P2 -","- C22 H28 Na4 O10 P2 -","- C44 H56 Na8 O20 P4 -","2","0.5","","Zhang, Yan; Apostol, Petru; Rambabu, Darsi; Guo, Xiaolong; Liu, Xuelian; Lin, Xiaodong; Xie, Haijiao; Chen, Xiaohua; Robeyns, Koen; Wang, Jiande; Wang, Junzhong; Vlad, Alexandru","Ionically conducting Li- and Na-phosphonates as organic electrode materials for rechargeable batteries.","Chemical science","2025","16","4","1819","1825","10.1039/d4sc07732f","","","0.71073","MoKα","","0.1318","0.0878","","","0.1694","0.1881","","","","","","1.116","","","","has coordinates","298115","2025-03-04","19:13:04",""
"1573542","15.8224","0.0005","21.9763","0.0006","28.7119","0.0012","90","","93.501","0.003","90","","9965","0.6","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C86 H44 N2 -","- C86 H44 N2 -","- C688 H352 N16 -","8","1","","Nakamura, Tomoya; Nagai, Takabumi; Miyake, Yuki; Yamada, Takumi; Miura, Makoto; Yoshida, Hiroyuki; Kanemitsu, Yoshihiko; Truong, Minh Anh; Murdey, Richard; Wakamiya, Atsushi","Single-isomer bis(pyrrolidino)fullerenes as electron-transporting materials for tin halide perovskite solar cells.","Chemical science","2025","16","5","2265","2272","10.1039/d4sc07031c","","","0.71073","MoKα","","0.1709","0.1094","","","0.2079","0.2343","","","","","","1.134","","","","has coordinates,has disorder","298090","2025-03-04","18:57:31",""
"1573543","9.86943","0.00017","17.5275","0.0003","26.1199","0.0005","95.7908","0.0014","99.8803","0.0015","106.339","0.0016","4218.1","0.14","131","19","131","19","","","","","","","","4","P -1","-P 1","2","","","","- C27 H20 F2 O3 -","- C27 H20 F2 O3 -","- C216 H160 F16 O24 -","8","4","","Li, Na; Li, Chenghui; Zhou, Qianying; Zhang, Xin; Deng, Zhouming; Jiang, Zhong-Xing; Yang, Zhigang","General access to furan-substituted <i>gem</i>-difluoroalkenes enabled by PFTB-promoted cross-coupling of ene-yne-ketones and difluorocarbene.","Chemical science","2025","16","3","1455","1464","10.1039/d4sc08247h","","x-ray","1.54184","CuKα","","0.0927","0.0645","","","0.2025","0.2588","","","","","","1.128","","","","has coordinates,has disorder","298161","2025-03-04","19:30:53",""
"1573544","13.0315","0.0018","6.515","0.0009","15.334","0.0019","90","","98.689","0.004","90","","1286.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 B O3 S -","- C11 H21 B O3 S -","- C44 H84 B4 O12 S4 -","4","1","","Kumar, Ashok; Gupta, Rohit; Subramaniyan, Vasudevan; Mani, Ganesan","DMSO-catalyzed CO2 reduction with 9-BBN: selective formation of either formoxy- or methoxyborane under mild conditions and C-methylenation of indoles","Catalysis Science & Technology","2025","15","3","678","688","10.1039/D4CY01327A","","","0.71073","MoKα","","0.097","0.0548","","","0.1094","0.1264","","","","","","1.026","","","","has coordinates","297985","2025-03-04","18:06:54",""
"1573545","9.804","0.005","16.35","0.011","13.564","0.007","90","","108.989","0.015","90","","2056","2","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 B N4 O -","- C26 H21 B N4 O -","- C104 H84 B4 N16 O4 -","4","1","","Watson, Alexander E. R.; Boyle, Paul D.; Ragogna, Paul J.; Gilroy, Joe B.","Ligand protonation leads to highly fluorescent boronium cations.","Chemical science","2025","16","5","2258","2264","10.1039/d4sc06392a","","","0.71073","MoKα","","0.076","0.0489","","","0.1202","0.1367","","","","","","1.021","","","","has coordinates","298169","2025-03-04","19:34:55",""
"1573546","9.673","0.004","16.008","0.008","20.119","0.009","90","","90","","90","","3115","2","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 B Cl3 N4 O -","- C34 H32 B Cl3 N4 O -","- C136 H128 B4 Cl12 N16 O4 -","4","1","","Watson, Alexander E. R.; Boyle, Paul D.; Ragogna, Paul J.; Gilroy, Joe B.","Ligand protonation leads to highly fluorescent boronium cations.","Chemical science","2025","16","5","2258","2264","10.1039/d4sc06392a","","","0.71073","MoKα","","0.0407","0.0331","","","0.0819","0.0862","","","","","","1.024","","","","has coordinates","298169","2025-03-04","19:34:56",""
"1573547","8.8668","0.0004","8.8668","0.0004","8.7669","0.0004","90","","90","","90","","689.25","0.05","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- B2 Ba Ca Cs F O5 -","- B2 Ba Ca Cs F O5 -","- B8 Ba4 Ca4 Cs4 F4 O20 -","4","0.5","","Chen, Fuqiang; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei","Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides.","Chemical science","2025","16","4","2015","2023","10.1039/d4sc05747c","","","0.71073","MoKα","","0.0504","0.0455","","","0.1382","0.1491","","","","","","1.085","","","","has coordinates","298112","2025-03-04","19:09:56",""
"1573548","8.7713","0.0003","8.7713","0.0003","4.3173","0.0003","90","","90","","90","","332.15","0.03","304","2","304","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- B2 Ba Ca F O5 Rb -","- B2 Ba Ca F O5 Rb -","- B4 Ba2 Ca2 F2 O10 Rb2 -","2","0.25","","Chen, Fuqiang; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei","Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides.","Chemical science","2025","16","4","2015","2023","10.1039/d4sc05747c","","","0.71073","MoKα","","0.0434","0.0375","","","0.1016","0.1082","","","","","","1.088","","","","has coordinates","298112","2025-03-04","19:09:57",""
"1573549","8.7276","0.0011","8.7276","0.0011","4.284","0.001","90","","90","","90","","326.32","0.1","304","2","304","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- B2 Ba Ca F K O5 -","- B2 Ba Ca F K O5 -","- B4 Ba2 Ca2 F2 K2 O10 -","2","0.25","","Chen, Fuqiang; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei","Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides.","Chemical science","2025","16","4","2015","2023","10.1039/d4sc05747c","","","0.71073","MoKα","","0.0924","0.0661","","","0.1723","0.1952","","","","","","1.144","","","","has coordinates","298112","2025-03-04","19:09:57",""
"1573550","7.2089","0.0007","9.3281","0.0009","11.0857","0.0013","97.148","0.009","92.22","0.009","96.254","0.008","734.23","0.13","150","","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H32 N4 O2 -","- C38 H32 N4 O2 -","- C38 H32 N4 O2 -","1","0.5","","Mandal, Debasish; Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli","pH-responsive supramolecular switch of a rationally designed dipyrroethene-based chromophore.","Chemical science","2025","16","4","1772","1782","10.1039/d4sc07016j","","","0.71073","MoKα","","0.1033","0.0874","","","0.2197","0.2307","","","","","","1.071","","","","has coordinates","298110","2025-03-04","19:09:27",""
"1573551","13.3398","0.0008","12.3038","0.0007","25.4069","0.0013","90","","97.608","0.005","90","","4133.3","0.4","150","0.1","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 F6 N4 O6 -","- C42 H34 F6 N4 O6 -","- C168 H136 F24 N16 O24 -","4","0.5","","Mandal, Debasish; Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli","pH-responsive supramolecular switch of a rationally designed dipyrroethene-based chromophore.","Chemical science","2025","16","4","1772","1782","10.1039/d4sc07016j","","","0.71073","MoKα","","0.1174","0.074","","","0.1819","0.2075","","","","","","1.059","","","","has coordinates","298110","2025-03-04","19:09:27",""
"1573552","9.295","0.002","9.499","0.002","10.348","0.002","79.673","0.01","65.183","0.008","63.713","0.009","743.5","0.3","105","","105","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H17 N3 -","- C19 H17 N3 -","- C38 H34 N6 -","2","1","","Mandal, Debasish; Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli","pH-responsive supramolecular switch of a rationally designed dipyrroethene-based chromophore.","Chemical science","2025","16","4","1772","1782","10.1039/d4sc07016j","","","0.71073","MoKα","","0.1127","0.0586","","","0.1376","0.1736","","","","","","1.0988","","","","has coordinates","298110","2025-03-04","19:09:27",""
"1573553","30.8903","0.00015","10.27991","0.00006","18.11204","0.00009","90","","90","","90","","5751.47","0.05","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C64 H92 N4 Tb2 -","- C64 H92 N4 Tb2 -","- C256 H368 N16 Tb8 -","4","1","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","","1.54184","CuKα","","0.0346","0.0328","","","0.0893","0.0901","","","","","","1.055","","","","has coordinates","298113","2025-03-04","19:10:33",""
"1573554","23.9612","0.0013","10.5893","0.0004","22.5423","0.0013","90","","112.235","0.006","90","","5294.4","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10.09 H14.96 Cl0.17 Dy0.17 N0.7 -","- C10.087 H14.9565 Cl0.173913 Dy0.173913 N0.695652 -","- C232 H344 Cl4 Dy4 N16 -","23","2.875","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","x-ray","0.71073","MoKα","","0.0604","0.0498","","","0.1084","0.1165","","","","","","1.015","","","","has coordinates","298113","2025-03-04","19:10:34",""
"1573555","25.2282","0.0011","10.9625","0.0003","23.8393","0.0009","90","","116.041","0.005","90","","5923.8","0.5","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C65 H94 I N4 Y -","- C65 H94 I N4 Y -","- C260 H376 I4 N16 Y4 -","4","0.5","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","x-ray","0.71073","MoKα","","0.0477","0.0343","","","0.0772","0.0852","","","","","","0.923","","","","has coordinates,has disorder","298113","2025-03-04","19:10:34",""
"1573556","23.9599","0.0008","10.5837","0.0002","22.4979","0.0008","90","","112.183","0.004","90","","5282.8","0.3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H86 Cl N4 Tb -","- C58 H86 Cl N4 Tb -","- C232 H344 Cl4 N16 Tb4 -","4","0.5","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","","0.71073","MoKα","","0.048","0.04","","","0.0735","0.0788","","","","","","1.045","","","","has coordinates","298113","2025-03-04","19:10:34",""
"1573557","10.8382","0.0001","38.9439","0.0005","15.0078","0.0003","90","","105.063","0.002","90","","6116.87","0.17","100","0.7","100","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H99 Dy2 N4 -","- C67 H99 Dy2 N4 -","- C268 H396 Dy8 N16 -","4","1","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","x-ray","1.54184","CuKα","","0.0855","0.0822","","","0.2224","0.2241","","","","","","1.134","","","","has coordinates","298113","2025-03-04","19:10:34",""
"1573558","10.8398","0.0001","38.9679","0.0002","15.0051","0.0001","90","","105.029","0.001","90","","6121.42","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H99 N4 Y2 -","- C67 H99 N4 Y2 -","- C268 H396 N16 Y8 -","4","1","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","","1.54184","CuKα","","0.0417","0.0392","","","0.1019","0.1052","","","","","","1.05","","","","has coordinates","298113","2025-03-04","19:10:34",""
"1573559","14.4004","0.0003","15.4059","0.0003","18.05","0.0004","97.598","0.002","103.094","0.002","112.008","0.002","3510.01","0.15","104","6","104","6","","","","","","","","4","P -1","-P 1","2","","","","- C75 H120 N4 Tb2 -","- C75 H120 N4 Tb2 -","- C150 H240 N8 Tb4 -","2","1","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","x-ray","1.54184","CuKα","","0.0436","0.0408","","","0.1051","0.107","","","","","","1.033","","","","has coordinates,has disorder","298113","2025-03-04","19:10:34",""
"1573560","26.171","0.002","11.0443","0.001","23.94","0.003","90","","119.762","0.003","90","","6006.9","1.1","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H94 Gd I N4 -","- C65 H94 Gd I N4 -","- C260 H376 Gd4 I4 N16 -","4","0.5","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","","0.71073","MoKα","","0.0288","0.0254","","","0.0584","0.0607","","","","","","1.038","","","","has coordinates,has disorder","298113","2025-03-04","19:10:34",""
"1573561","18.1193","0.0011","35.666","0.002","36.498","0.003","90","","90","","90","","23587","3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H92 Gd2 N4 -","- C64 H92 Gd2 N4 -","- C1024 H1472 Gd32 N64 -","16","2","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","","0.71073","MoKα","","0.0361","0.0261","","","0.0554","0.0604","","","","","","1.039","","","","has coordinates","298113","2025-03-04","19:10:34",""
"1573562","12.67284","0.00007","9.17962","0.00005","22.43254","0.00013","90","","96.7556","0.0005","90","","2591.5","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 B N3 O -","- C27 H36 B N3 O -","- C108 H144 B4 N12 O4 -","4","1","","Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon","Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.","Chemical science","2025","16","5","2231","2237","10.1039/d4sc07487d","","x-ray","1.54184","CuKα","","0.0417","0.0399","","","0.1008","0.1021","","","","","","1.026","","","","has coordinates","298171","2025-03-04","19:37:35",""
"1573563","12.8968","0.0001","19.8442","0.0002","40.8371","0.0005","90","","96.999","0.001","90","","10373.4","0.18","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H74 B N5 P2 -","- C53 H74 B N5 P2 -","- C424 H592 B8 N40 P16 -","8","2","","Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon","Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.","Chemical science","2025","16","5","2231","2237","10.1039/d4sc07487d","","x-ray","1.54184","CuKα","","0.0767","0.0581","","","0.1446","0.1516","","","","","","1.084","","","","has coordinates,has disorder","298171","2025-03-04","19:37:36",""
"1573564","22.7178","0.0007","22.7178","0.0007","15.9414","0.0008","90","","90","","90","","8227.3","0.5","100","0.1","100","0.1","","","","","","","","6","I -4","I -4","82","","","","- C45 H52.4 B2 K N3 O2 -","- C33 H40.4 B2 K N3 O2 -","- C264 H323.2 B16 K8 N24 O16 -","8","1","","Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon","Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.","Chemical science","2025","16","5","2231","2237","10.1039/d4sc07487d","","x-ray","1.54184","CuKα","","0.0595","0.0551","","","0.1556","0.16","","","","","","1.016","","","","has coordinates,has disorder","298171","2025-03-04","19:37:36",""
"1573565","9.7098","0.0001","16.9985","0.0002","17.7195","0.0002","90","","93.843","0.001","90","","2918.06","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 B N3 -","- C33 H42 B N3 -","- C132 H168 B4 N12 -","4","1","","Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon","Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.","Chemical science","2025","16","5","2231","2237","10.1039/d4sc07487d","","x-ray","1.54184","CuKα","","0.0541","0.0501","","","0.1745","0.1774","","","","","","1.055","","","","has coordinates","298171","2025-03-04","19:37:36",""
"1573566","22.2498","0.0001","13.5031","0.0001","37.4373","0.0002","90","","99.081","0.001","90","","11106.7","0.12","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H81 B3 N6 O -","- C60 H81 B3 N6 O -","- C480 H648 B24 N48 O8 -","8","1","","Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon","Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.","Chemical science","2025","16","5","2231","2237","10.1039/d4sc07487d","","x-ray","1.54184","CuKα","","0.046","0.0406","","","0.1037","0.1074","","","","","","1.029","","","","has coordinates,has disorder","298171","2025-03-04","19:37:36",""
"1573567","16.90996","0.00006","9.55705","0.00003","33.35081","0.0001","90","","94.9584","0.0003","90","","5369.63","0.03","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C27 H36 B N3 S -","- C27 H36 B N3 S -","- C216 H288 B8 N24 S8 -","8","1","","Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon","Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.","Chemical science","2025","16","5","2231","2237","10.1039/d4sc07487d","","x-ray","1.54184","CuKα","","0.0359","0.0353","","","0.0895","0.09","","","","","","1.027","","","","has coordinates,has disorder","298171","2025-03-04","19:37:36",""
"1573570","9.6234","0.0001","10.4927","0.0001","14.0802","0.0002","99.31","0.001","98.054","0.001","100.619","0.001","1357.67","0.03","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 F2 O4 P -","- C31 H29 F2 O4 P -","- C62 H58 F4 O8 P2 -","2","1","","Huang, Mao-Gui; Fu, Yue-Liu-Ting; Li, Jia-Wei; Liu, Yue-Jin","Ruthenium-catalyzed three-component tandem remote C-H functionalization of naphthalenes: modular and concise synthesis of multifunctional naphthalenes.","Chemical science","2025","16","4","1957","1965","10.1039/d4sc06846g","","x-ray","1.54184","CuKα","","0.0413","0.0366","","","0.0989","0.105","","","","","","1.117","","","","has coordinates","298111","2025-03-04","19:09:43",""
"1573571","14.4927","0.0008","9.522","0.0002","24.7089","0.0014","90","","137.895","0.011","90","","2286.3","0.5","123.01","0.1","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 Br4 N12 Ni2 O6 -","- C42 H40 Br4 N12 Ni2 O6 -","- C84 H80 Br8 N24 Ni4 O12 -","2","0.5","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","","1.54184","CuKα","","0.0383","0.0356","","","0.099","0.101","","","","","","1.048","","","","has coordinates","298132","2025-03-04","19:22:20",""
"1573572","13.4368","0.0003","9.1144","0.0002","20.483","0.0004","90","","108.664","0.002","90","","2376.6","0.09","123","0.1","123.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Br4 Cl4 N12 Ni2 O4 -","- C40 H38 Br4 Cl4 N10 Ni2 O6 -","- C80 H76 Br8 Cl8 N20 Ni4 O12 -","2","0.5","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","","1.54184","CuKα","","0.0378","0.0331","","","0.0922","0.0948","","","","","","0.999","","","","has coordinates","298132","2025-03-04","19:22:21",""
"1573573","13.0278","0.0002","14.7154","0.0002","34.4476","0.0005","90","","99.152","0.001","90","","6519.86","0.16","123","0.1","123","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C20.57 H18.49 N6.86 O2.39 -","- C20.5714 H18.4949 N6.85714 O2.39029 -","- C288 H258.928 N96 O33.464 -","14","1.75","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","x-ray","1.54184","CuKα","","0.038","0.0361","","","0.0901","0.0913","","","","","","1.081","","","","has coordinates,has disorder","298132","2025-03-04","19:22:21",""
"1573574","17.1742","0.0001","13.6415","0.0001","17.8507","0.0001","90","","103.715","0.001","90","","4062.85","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13.82 H12.36 Br0.73 N5.09 Ni0.36 O1.45 -","- C13.8182 H12.3636 Br0.727273 N5.09091 Ni0.363636 O1.45455 -","- C152 H136 Br8 N56 Ni4 O16 -","11","2.75","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","x-ray","1.54184","CuKα","","0.0426","0.039","","","0.1112","0.1133","","","","","","1.104","","","","has coordinates","298132","2025-03-04","19:22:21",""
"1573575","6.6161","0.0004","11.0537","0.0006","11.1219","0.0006","84.188","0.004","74.575","0.005","88.159","0.004","780.03","0.08","123.01","0.1","123.15","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N6 O2 -","- C17 H14 N6 O2 -","- C34 H28 N12 O4 -","2","1","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","","1.54184","CuKα","","0.0776","0.0704","","","0.1998","0.2104","","","","","","1.08","","","","has coordinates","298132","2025-03-04","19:22:21",""
"1573576","9.8012","0.0002","8.1826","0.0002","27.1202","0.0006","90","","94.448","0.002","90","","2168.47","0.08","123.01","0.1","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11.5 H12.5 N2.5 O2 -","- C11.5 H12.5 N2.5 O2 -","- C92 H100 N20 O16 -","8","2","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","","1.54184","CuKα","","0.0584","0.054","","","0.1476","0.1545","","","","","","1.032","","","","has coordinates","298132","2025-03-04","19:22:21",""
"1573577","33.3183","0.0003","9.9346","0.0001","21.7721","0.0002","90","","91.007","0.001","90","","7205.54","0.12","100","0.1","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H52 N5 Ni O4.5 -","- C39 H52 N5 Ni O4.5 -","- C312 H416 N40 Ni8 O36 -","8","1","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","","1.54184","CuKα","","0.069","0.0652","","","0.1635","0.1653","","","","","","1.262","","","","has coordinates,has disorder","298132","2025-03-04","19:22:21",""
"1573578","19.3695","0.0002","17.6564","0.0002","19.5992","0.0003","90","","93.297","0.001","90","","6691.75","0.15","123.01","0.1","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 Br N5 Ni O3 P -","- C37 H32 Br N5 Ni O3 P -","- C296 H256 Br8 N40 Ni8 O24 P8 -","8","2","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","","1.54184","CuKα","","0.0668","0.045","","","0.118","0.1276","","","","","","1.051","","","","has coordinates","298132","2025-03-04","19:22:21",""
"1573579","11.2439","0.0002","11.2772","0.0002","13.4027","0.0002","65.901","0.002","87.254","0.001","79.439","0.001","1524.37","0.05","100","0.1","100","0.1","","","","","","","Meloxicam was purchased from ABCR","5","P -1","-P 1","2","meloxicam","4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide","","- C14 H13 N3 O4 S2 -","- C14 H13 N3 O4 S2 -","- C56 H52 N12 O16 S8 -","4","2","ED5031","Jeziorna, Agata; Malinska, Maura; Sugden, Isaac; Paluch, Piotr; Dolot, Rafał; Dudek, Marta K.","SCXRD, CSP-NMRX and microED in the quest for three elusive polymorphs of meloxicam.","IUCrJ","2025","12","1","","","10.1107/S2052252524011898","","x-ray","1.54184","CuKα","","0.0356","0.0328","","","0.0901","0.0915","","","","","","1.074","","","","has coordinates","297061","2025-01-04","02:45:19",""
"1573580","16.752","0.0003","7.27831","0.00016","15.9369","0.0003","90","","100.013","0.0017","90","","1913.53","0.07","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Chlorocurcumin","4-Chloro-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one","","- C21 H19 Cl O6 -","- C21 H19 Cl O6 -","- C84 H76 Cl4 O24 -","4","1","HB4501","Pham, Phuong-Truc T.; Bader, Mamoun M.","4-Chlorocurcumin","IUCrData","2025","10","1","x241243","","10.1107/S2414314624012434","","x-ray","1.54184","CuKα","","0.0403","0.0362","","","0.1036","0.1075","","","","","","1.068","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573581","5.6911","0.0004","7.9862","0.0004","24.9303","0.0014","90","","91.008","0.003","90","","1132.91","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pyridin-1-ium carboxyformate–2-chloroacetic acid (1/1)","","- C9 H10 Cl N O6 -","- C9 H10 Cl N O6 -","- C36 H40 Cl4 N4 O24 -","4","1","TK4114","Sadikhova, Nurlana D.; Muradova, Farida M.; Guliyeva, Narmina A.; Hasanov, Khudayar I.; Javadzade, Tahir A.; Zangrando, Ennio; Belay, Alebel N.","Pyridin-1-ium carboxyformate–2-chloroacetic acid (1/1)","IUCrData","2025","10","1","x241242","","10.1107/S2414314624012422","","","0.71073","MoKα","","0.0337","0.0308","","","0.0802","0.0819","","","","","","1.104","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573582","8.31031","0.00008","20.0084","0.0002","44.3627","0.0005","90","","90","","90","","7376.45","0.13","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H40 Cl2 N2 O Ru S2 -","- C41 H40 Cl2 N2 O Ru S2 -","- C328 H320 Cl16 N16 O8 Ru8 S16 -","8","1","","Matveeva, Maria; Trzaskowski, Bartosz; Kajetanowicz, Anna","Modifications of substituents on the chelating oxygen atom in stereoretentive Hoveyda–Grubbs-type complexes and their influence on catalytic properties","Catalysis Science & Technology","2025","15","3","783","793","10.1039/D4CY01357C","","x-ray","1.54184","CuKα","","0.0437","0.0343","","","0.0833","0.0899","","","","","","1.025","","","","has coordinates","297982","2025-03-04","18:05:58",""
"1573583","10.9738","0.0012","12.7041","0.0012","18.1148","0.0019","85.417","0.003","85.746","0.003","80.856","0.003","2480.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H69 Mg N4 P Si -","- C49 H69 Mg N4 P Si -","- C98 H138 Mg2 N8 P2 Si2 -","2","1","","Nath, Priyanku; Sagar, Shweta; Ray, Aranya; Karmakar, Himadri; Sarkar, Alok; Chandrasekhar, Vadapalli; Panda, Tarun K.","Crafting tailored, well-defined block copolymers of cyclic esters with an organomagnesium initiator.","Chemical communications (Cambridge, England)","2025","61","11","2341","2344","10.1039/d4cc05070c","","","0.71073","MoKα","","0.1122","0.055","","","0.1232","0.1468","","","","","","1.019","","","","has coordinates,has disorder","298074","2025-03-04","18:49:25",""
"1573584","25.415","0.0009","25.415","0.0009","25.415","0.0009","90","","90","","90","","16416.1","1","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C24 O13 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.0416667","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.1213","0.0913","","","0.2925","0.317","","","","","","1.142","","","","has coordinates","298089","2025-03-04","18:57:14",""
"1573585","12.8235","0.0012","12.8235","0.0012","12.8235","0.0012","90","","90","","90","","2108.7","0.3","100","2","100","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C24 O13 Zn4 -","- C24 O13 Zn4.0008 -","- C24 O13 Zn4.0008 -","1","0.0208333","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.1106","0.0707","","","0.2126","0.2534","","","","","","1.082","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573586","25.6171","0.0009","25.6171","0.0009","25.6171","0.0009","90","","90","","90","","16810.9","1","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.0835","0.0589","","","0.1925","0.2234","","","","","","1.125","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573587","25.6455","0.0007","25.6455","0.0007","25.6455","0.0007","90","","90","","90","","16866.8","0.8","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.0735","0.0559","","","0.1774","0.2042","","","","","","1.161","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573588","25.6396","0.0007","25.6396","0.0007","25.6396","0.0007","90","","90","","90","","16855.2","0.8","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.1","0.0687","","","0.2118","0.2867","","","","","","1.237","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573589","25.6309","0.0009","25.6309","0.0009","25.6309","0.0009","90","","90","","90","","16838","1","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.0858","0.0519","","","0.1701","0.2188","","","","","","1.224","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573590","13.6279","0.0013","16.9199","0.0017","19.7799","0.0019","90","","91.635","0.003","90","","4559","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 N O5 Zn -","- C14 N O5 Zn -","- C112 N8 O40 Zn8 -","8","1","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.0838","0.068","","","0.1837","0.1907","","","","","","1.087","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573591","25.6731","0.0008","25.6731","0.0008","25.6731","0.0008","90","","90","","90","","16921.3","0.9","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.0903","0.055","","","0.1717","0.2272","","","","","","1.226","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573592","25.6846","0.0008","25.6846","0.0008","25.6846","0.0008","90","","90","","90","","16944.1","0.9","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.097","0.0663","","","0.2059","0.2786","","","","","","1.249","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573593","25.6483","0.0006","25.6483","0.0006","25.6483","0.0006","90","","90","","90","","16872.4","0.7","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.0897","0.0649","","","0.208","0.2512","","","","","","1.171","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573594","7.2038","0.0005","11.3027","0.0007","26.8583","0.0017","90","","92.223","0.002","90","","2185.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'1-benzyl-4-phenyl-5-(phenylethynyl)-1H-isobenzofuro[4,5-d][1,2,3]triazole-6,8-dione'","","- C29 H17 N3 O3 -","- C29 H17 N3 O3 -","- C116 H68 N12 O12 -","4","1","","Sneddon, Dorian S.; Kevorkian, Paul V.; Hoye, Thomas R.","Rapid (≤25 °C) cycloisomerization of anhydride-tethered triynes to benzynes - origin of a remarkable anhydride linker-induced rate enhancement.","Chemical science","2025","16","6","2898","2906","10.1039/d4sc07232d","","","0.71073","MoKα","","0.0586","0.0397","","","0.0944","0.1032","","","","","","1.026","","","","has coordinates","298131","2025-03-04","19:21:56",""
"1573595","13.0754","0.0015","19.067","0.002","15.68","0.002","90","","104.258","0.004","90","","3788.7","0.8","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H41 N5 O5 -","- C40 H33 N5 O5 -","- C160 H132 N20 O20 -","4","1","","Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan","Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.","Chemical science","2025","16","8","3459","3469","10.1039/d4sc07655a","","","0.71073","MoKα","","0.1369","0.0787","","","0.2005","0.2743","","","","","","1.084","","","","has coordinates","298104","2025-03-04","19:06:28",""
"1573596","8.418","0.0017","12.809","0.003","40.083","0.008","91.42","0.03","92.29","0.03","106.79","0.03","4131.5","1.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H42 N6 O5 -","- C56 H42 N6 O5 -","- C224 H168 N24 O20 -","4","2","","Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan","Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.","Chemical science","2025","16","8","3459","3469","10.1039/d4sc07655a","","","0.7","synchrotron","","0.1474","0.1025","","","0.2804","0.3123","","","","","","1.046","","","","has coordinates","298104","2025-03-04","19:06:29",""
"1573597","15.283","0.003","14.723","0.003","30.471","0.006","90","","90","","90","","6856","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H36 N4 O3 -","- C44 H36 N4 O3 -","- C352 H288 N32 O24 -","8","1","","Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan","Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.","Chemical science","2025","16","8","3459","3469","10.1039/d4sc07655a","","","0.7","synchrotron","","0.0922","0.0564","","","0.1427","0.1562","","","","","","1.02","","","","has coordinates","298104","2025-03-04","19:06:29",""
"1573598","14.434","0.003","15.041","0.003","30.493","0.006","90","","90","","90","","6620","2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C84 H69 N9 O8 -","- C84 H69 N9 O8 -","- C336 H276 N36 O32 -","4","1","","Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan","Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.","Chemical science","2025","16","8","3459","3469","10.1039/d4sc07655a","","","0.7","synchrotron","","0.104","0.0682","","","0.1569","0.1789","","","","","","1.036","","","","has coordinates,has disorder","298104","2025-03-04","19:06:29",""
"1573599","5.4287","0.0007","8.9764","0.0012","13.4695","0.0016","96.706","0.011","95.087","0.01","90.122","0.011","649.26","0.14","190","2","190","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C13 H16 I N O2 -","- C13 H16 I N O2 -","- C26 H32 I2 N2 O4 -","2","1","","Shiels, Oisin J.; Brydon, Samuel C.; Poad, Berwyck L. J.; Marshall, David L.; Houston, Sevan D.; Xing, Hui; Bernhardt, Paul V.; Savage, G. Paul; Williams, Craig M.; Harman, David G.; Kirk, Benjamin B.; da Silva, Gabriel; Blanksby, Stephen J.; Trevitt, Adam J.","Electrostatically tuning radical addition and atom abstraction reactions with distonic radical ions.","Chemical science","2025","16","6","2861","2878","10.1039/d4sc06333c","","x-ray","0.71073","MoKα","","0.0775","0.0646","","","0.1372","0.1444","","","","","","1.173","","","","has coordinates","298134","2025-03-04","19:22:40",""
"1573600","6.5625","0.0004","13.4728","0.0009","14.2734","0.0008","75.183","0.002","78.29","0.002","80.854","0.002","1186.97","0.13","146","2","146.55","","","","","","","","","4","P -1","-P 1","2","","ADP-2AMN","","- C26 H44 N2 O4 -","- C26 H44 N2 O4 -","- C52 H88 N4 O8 -","2","1","","Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi","Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.","Faraday discussions","2025","260","0","283","309","10.1039/d4fd00154k","","","0.56086","AgKα","","0.0799","0.0578","","","0.1435","0.1675","","","","","","1.028","","","","has coordinates","302699","2025-10-06","09:58:32",""
"1573601","11.4038","0.0008","12.7819","0.0007","13.6007","0.0008","88.897","0.002","70.005","0.002","65.733","0.002","1681.25","0.18","145","2","145.01","","","","","","","","","4","P -1","-P 1","2","","ADIPIC-2TYRAMINE","","- C33 H48 N3 O9 -","- C33 H48 N3 O9 -","- C66 H96 N6 O18 -","2","1","","Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi","Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.","Faraday discussions","2025","260","0","283","309","10.1039/d4fd00154k","","","0.71073","MoKα","","0.0746","0.0438","","","0.093","0.1086","","","","","","1.012","","","","has coordinates","302699","2025-10-06","09:58:33",""
"1573602","10.4623","0.0003","5.916","0.0002","20.1437","0.0006","90","","104.968","0.001","90","","1204.49","0.06","148","2","147.9","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ADP-2MAFSALT","","- C20 H22 N4 O8 S2 -","- C20 H22 N4 O8 S2 -","- C40 H44 N8 O16 S4 -","2","0.5","","Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi","Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.","Faraday discussions","2025","260","0","283","309","10.1039/d4fd00154k","","","0.71073","MoKα","","0.065","0.054","","","0.1553","0.1671","","","","","","1.036","","","","has coordinates,has disorder","302699","2025-10-06","09:58:33",""
"1573603","5.8262","0.0016","9.25","0.003","24.521","0.007","79.998","0.008","88.376","0.009","80.227","0.009","1282.5","0.7","295.75","","295.75","","","","","","","","","5","P -1","-P 1","2","","C16MAF","","- C23 H40 N2 O6 S -","- C23 H40 N2 O6 S -","- C46 H80 N4 O12 S2 -","2","1","","Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi","Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.","Faraday discussions","2025","260","0","283","309","10.1039/d4fd00154k","","x-ray","0.71073","MoKα","","0.1417","0.1055","","","0.2621","0.2829","","","","","","1.108","","","","has coordinates,has disorder","302699","2025-10-06","09:58:33",""
"1573604","21.69","0.03","6.077","0.008","22.48","0.03","90","","90","","90","","2963","7","298.66","","298.66","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C28 H44 N2 O6 -","- C28 H44 N2 O6 -","- C112 H176 N8 O24 -","4","1","","Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi","Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.","Faraday discussions","2025","260","0","283","309","10.1039/d4fd00154k","","x-ray","0.71073","MoKα","","0.1345","0.0682","","","0.1531","0.1884","","","","","","1.046","","","","has coordinates,has disorder","302699","2025-10-06","09:58:33",""
"1573605","6.657","0.004","13.21","0.007","13.286","0.007","106.992","0.008","91.051","0.008","96.242","0.008","1109.2","1.1","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","ddaamn","","- C22 H39 N O4 -","- C22 H39 N O4 -","- C44 H78 N2 O8 -","2","1","","Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi","Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.","Faraday discussions","2025","260","0","283","309","10.1039/d4fd00154k","","x-ray","0.71073","MoKα","","0.0873","0.0494","","","0.123","0.1445","","","","","","1.037","","","","has coordinates","302699","2025-10-06","09:58:33",""
"1573606","6.4847","0.0019","7.741","0.002","16.693","0.005","91.501","0.004","98.704","0.004","108.733","0.004","781.9","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","DDA-2TRYPT","","- C32 H46 N4 O4 -","- C32 H46 N4 O4 -","- C32 H46 N4 O4 -","1","0.5","","Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi","Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.","Faraday discussions","2025","260","0","283","309","10.1039/d4fd00154k","","","0.71073","MoKα","","0.1053","0.0506","","","0.1078","0.1312","","","","","","1","","","","has coordinates","302699","2025-10-06","09:58:33",""
"1573607","9.788","0.006","6.098","0.004","21.09","0.014","90","","96.993","0.009","90","","1249.4","1.4","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ADP-2TRYPTSALT","","- C26 H34 N4 O4 -","- C26 H34 N4 O4 -","- C52 H68 N8 O8 -","2","0.5","","Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi","Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.","Faraday discussions","2025","260","0","283","309","10.1039/d4fd00154k","","","0.71073","MoKα","","0.0439","0.0362","","","0.0909","0.0964","","","","","","1.063","","","","has coordinates","302699","2025-10-06","09:58:33",""
"1573608","20.775","0.019","6.448","0.006","21.727","0.019","90","","97.79","0.03","90","","2884","5","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","AZELAIC-2AMN","","- C29 H50 N2 O4 -","- C29 H50 N2 O4 -","- C116 H200 N8 O16 -","4","1","","Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi","Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.","Faraday discussions","2025","260","0","283","309","10.1039/d4fd00154k","","x-ray","0.71073","MoKα","","0.1213","0.0617","","","0.1541","0.186","","","","","","1.009","","","","has coordinates","302699","2025-10-06","09:58:33",""
"1573609","15.244","0.0003","15.3069","0.0003","21.3108","0.0004","90","","90","","90","","4972.63","0.17","120.01","0.15","120.01","0.15","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H58.58 Br5.42 Ce2 Mn O14.58 -","- C28 H58.581 Br5.419 Ce2 Mn O14.581 -","- C112 H234.324 Br21.676 Ce8 Mn4 O58.324 -","4","1","","Liu, Huanyu; Yu, Gang; Huo, Peihao; Guo, Ruoyao; Li, Yujia; Qi, Hao; Zheng, Jiayin; Jin, Tong; Zhao, Zifeng; Bian, Zuqiang; Liu, Zhiwei","Structural relaxation chirality transfer enhanced circularly polarized luminescence in heteronuclear Ce<sup>III</sup>-Mn<sup>II</sup> complexes.","Materials horizons","2025","12","8","2650","2655","10.1039/d4mh01760a","","x-ray","0.71073","MoKα","","0.0591","0.0446","","","0.1122","0.1186","","","","","","1.066","","","","has coordinates,has disorder","301192","2025-07-06","18:05:11",""
"1573610","15.5414","0.0004","15.5635","0.0004","21.415","0.0006","90","","90","","90","","5179.8","0.2","180.01","0.11","180.01","0.11","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H58.39 Br5.61 La2 Mn O14.39 -","- C28 H58.392 Br5.608 La2 Mn O14.392 -","- C112 H233.568 Br22.432 La8 Mn4 O57.568 -","4","1","","Liu, Huanyu; Yu, Gang; Huo, Peihao; Guo, Ruoyao; Li, Yujia; Qi, Hao; Zheng, Jiayin; Jin, Tong; Zhao, Zifeng; Bian, Zuqiang; Liu, Zhiwei","Structural relaxation chirality transfer enhanced circularly polarized luminescence in heteronuclear Ce<sup>III</sup>-Mn<sup>II</sup> complexes.","Materials horizons","2025","12","8","2650","2655","10.1039/d4mh01760a","","x-ray","0.71073","MoKα","","0.064","0.0514","","","0.1328","0.1391","","","","","","1.047","","","","has coordinates,has disorder","301192","2025-07-06","18:05:21",""
"1573611","15.3088","0.0004","15.3451","0.0003","21.3976","0.0004","90","","90","","90","","5026.62","0.19","180","0.1","180","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H58.52 Br5.48 Ce2 Mn O14.52 -","- C28 H58.524 Br5.476 Ce2 Mn O14.524 -","- C112 H234.096 Br21.904 Ce8 Mn4 O58.096 -","4","1","","Liu, Huanyu; Yu, Gang; Huo, Peihao; Guo, Ruoyao; Li, Yujia; Qi, Hao; Zheng, Jiayin; Jin, Tong; Zhao, Zifeng; Bian, Zuqiang; Liu, Zhiwei","Structural relaxation chirality transfer enhanced circularly polarized luminescence in heteronuclear Ce<sup>III</sup>-Mn<sup>II</sup> complexes.","Materials horizons","2025","12","8","2650","2655","10.1039/d4mh01760a","","x-ray","0.71073","MoKα","","0.076","0.0616","","","0.1638","0.17","","","","","","1.046","","","","has coordinates,has disorder","301192","2025-07-06","18:05:22",""
"1573612","10.2108","0.00016","10.2108","0.00016","58.9846","0.0014","90","","90","","90","","6149.8","0.2","179.99","0.1","179.99","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C16 H36 Br5 Ce O8 Zn -","- C16 H36 Br5 Ce O8 Zn -","- C128 H288 Br40 Ce8 O64 Zn8 -","8","1","","Liu, Huanyu; Yu, Gang; Huo, Peihao; Guo, Ruoyao; Li, Yujia; Qi, Hao; Zheng, Jiayin; Jin, Tong; Zhao, Zifeng; Bian, Zuqiang; Liu, Zhiwei","Structural relaxation chirality transfer enhanced circularly polarized luminescence in heteronuclear Ce<sup>III</sup>-Mn<sup>II</sup> complexes.","Materials horizons","2025","12","8","2650","2655","10.1039/d4mh01760a","","x-ray","0.71073","MoKα","","0.0557","0.0431","","","0.0933","0.0978","","","","","","1.023","","","","has coordinates","301192","2025-07-06","18:05:23",""
"1573613","8.4191","0.0003","23.1476","0.0009","9.9079","0.0003","90","","94.709","0.003","90","","1924.35","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(η^6^-Benzene)chlorido[2-(pyridin-2-yl)quinoline-κ^2^<i>N</i>,<i>N</i>']\ ruthenium(II) tetrafluoridoborate","","- C20 H16 B Cl F4 N2 Ru -","- C20 H16 B Cl F4 N2 Ru -","- C80 H64 B4 Cl4 F16 N8 Ru4 -","4","1","WM4225","Varadhan, Manikandan; Passi, Ibanpynhunlang; Chinnathangavel, Thangaraja; Rajendiran, Venugopal","(η6-Benzene)chlorido[2-(pyridin-2-yl)quinoline-κ2 N,N′]ruthenium(II) tetrafluoridoborate","IUCrData","2025","10","1","x241240","","10.1107/S2414314624012409","","","0.71073","MoKα","","0.0464","0.0396","","","0.0896","0.0931","","","","","","1.129","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573614","9.5725","0.0003","9.5725","0.0003","27.576","0.0011","90","","90","","90","","2526.86","0.15","200","2","200","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","Tetraphenylglycolide tetrahydrofuran monosolvate","3,3,6,6-Tetraphenyl-1,4-dioxane-2,5-dione tetrahydrofuran monosolvate","","- C32 H24 O5 -","- C32 H24 O5 -","- C128 H96 O20 -","4","0.5","BV4054","Ndima, Lubabalo; Hosten, Eric Cyriel; Betz, Richard","Tetraphenylglycolide tetrahydrofuran monosolvate","IUCrData","2025","10","1","x241241","","10.1107/S2414314624012410","","","0.71073","MoKα","","0.0616","0.0564","","","0.1711","0.1759","","","","","","1.091","","","","has coordinates,has disorder","300370","2025-07-05","10:15:07",""
"1573615","9.6669","0.0003","11.944","0.0004","36.0164","0.0009","90","","90","","90","","4158.5","0.2","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Di-<i>tert</i>-butyldiisothiocyanatotin(IV)","","- C10 H18 N2 S2 Sn -","- C10 H18 N2 S2 Sn -","- C120 H216 N24 S24 Sn12 -","12","1.5","HB4502","Kamrowski, Anne; Reuter, Hans","Di-tert-butyldiisothiocyanatotin(IV)","IUCrData","2025","10","1","x241244","","10.1107/S2414314624012446","","","0.71073","MoKα","","0.0492","0.0333","","","0.0618","0.0672","","","","","","1.117","","","","has coordinates","300370","2025-07-05","10:15:08",""
"1573616","17.5937","0.0005","17.5937","0.0005","7.3368","0.0002","90","","90","","120","","1966.76","0.1","113","19","113","19","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C2 H5 Cu I N -","- C2 H5 Cu I N -","- C24 H60 Cu12 I12 N12 -","12","1","","Panda, Sankalpa N.; Pradhan, Prabhanjan; Nath, Satyapriya; Mohapatra, Jeebanjyoti; Patra, Biplab K.; Biswal, Bishnu P.","Inducing piezoelectric behavior in a copper iodide cubane cluster-based metal-organic framework <i>via</i> linker engineering.","Chemical communications (Cambridge, England)","2025","61","12","2536","2539","10.1039/d4cc05965d","","x-ray","1.54184","CuKα","","0.0551","0.0539","","","0.1601","0.1631","","","","","","1.0015","","","","has coordinates","298076","2025-03-04","18:49:49",""
"1573617","26.9512","0.001","9.4305","0.0003","17.329","0.0006","90","","111.921","0.001","90","","4086","0.2","273.15","","273.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(anthracen-9-yl)-9,9-dimethyl-9H-xanthene","","- C29 H22 O -","- C29 H22 O -","- C232 H176 O8 -","8","1","","Wang, Shiyin; Liu, Haichao; Zhao, Shuaiqiang; Wu, Qiaolin; Yang, Zhiqiang; Yang, Daojie; Lv, Yingbo; Su, Qing; Zhang, Shi-Tong; Yang, Bing","A comparative investigation on excimer fluorescence toward its bright future.","Chemical science","2025","16","7","3275","3284","10.1039/d4sc08001g","","","0.71073","MoKα","","0.098","0.0573","","","0.152","0.2013","","","","","","1.2878","","","","has coordinates","298136","2025-03-04","19:23:19",""
"1573618","9.1255","0.0005","17.9972","0.0011","18.3091","0.0011","90.153","0.002","90.817","0.002","94.909","0.002","2995.6","0.3","302","","302","","","","","","","","","3","P -1","-P 1","2","","4,5-di(anthracen-9-yl)-9,9-dimethyl-9H-xanthene","","- C43 H30 O -","- C43 H30 O -","- C172 H120 O4 -","4","2","","Wang, Shiyin; Liu, Haichao; Zhao, Shuaiqiang; Wu, Qiaolin; Yang, Zhiqiang; Yang, Daojie; Lv, Yingbo; Su, Qing; Zhang, Shi-Tong; Yang, Bing","A comparative investigation on excimer fluorescence toward its bright future.","Chemical science","2025","16","7","3275","3284","10.1039/d4sc08001g","","","0.71073","MoKα","","0.0709","0.0517","","","0.1282","0.152","","","","","","1.056","","","","has coordinates","299663","2025-05-14","10:18:01",""
"1573619","9.431","0.003","16.704","0.006","19.162","0.007","64.511","0.015","81.957","0.016","85.757","0.016","2697.8","1.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H38 Cl3 N8 O6 Zn -","- C61 H38 Cl3 N8 O6 Zn -","- C122 H76 Cl6 N16 O12 Zn2 -","2","1","","Bulbul, Amir Sohel; Mogilipuri, Jhansi; Soma, Venugopal Rao; Sankar, Muniappan","<i>Meso</i>-β, β-β' trifused porphyrins: synthesis, spectral, electrochemical and DFT studies and their femtosecond third-order nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3679","3694","10.1039/d4dt02930e","","","0.71073","MoKα","","0.112","0.0543","","","0.1351","0.1782","","","","","","0.997","","","","has coordinates,has disorder","298926","2025-04-05","03:18:00",""
"1573620","9.0901","0.0002","13.3962","0.0002","22.3177","0.0003","77.196","0.001","86.431","0.001","82.887","0.001","2628.01","0.08","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","CuNDPA","","- C54 H67 Cu K N6 O9 -","- C54 H67 Cu K N6 O9 -","- C108 H134 Cu2 K2 N12 O18 -","2","1","","Das, Soumadip; Roy, Aritra; Chakrabarti, Navonil; Mukhopadhyay, Narottam; Sarkar, Aniruddha; Sen Gupta, Sayam","Self-sensitized Cu(ii)-complex catalyzed solar driven CO<sub>2</sub> reduction.","Chemical science","2025","16","7","3114","3123","10.1039/d4sc06354f","","","1.54184","CuKα","","0.0409","0.0373","","","0.101","0.1038","","","","","","1.073","","","","has coordinates","298140","2025-03-04","19:24:52",""
"1573621","9.6787","0.0003","10.7885","0.0004","20.4415","0.0008","96.743","0.003","90.805","0.003","99.865","0.003","2087.09","0.13","100","0.2","100.15","","","","","","","","","6","P -1","-P 1","2","","CuNDPA-Cl_N2O2","","- C44 H48 Cl Cu N7 O3 -","- C40 H42 Cl Cu N5 O3 -","- C80 H84 Cl2 Cu2 N10 O6 -","2","1","","Das, Soumadip; Roy, Aritra; Chakrabarti, Navonil; Mukhopadhyay, Narottam; Sarkar, Aniruddha; Sen Gupta, Sayam","Self-sensitized Cu(ii)-complex catalyzed solar driven CO<sub>2</sub> reduction.","Chemical science","2025","16","7","3114","3123","10.1039/d4sc06354f","","","1.54184","CuKα","","0.1406","0.1256","","","0.3404","0.3535","","","","","","1.4","","","","has coordinates,has disorder","298140","2025-03-04","19:24:53",""
"1573622","25.2111","0.0008","22.7564","0.0008","33.5239","0.0011","90","","108.292","0.0011","90","","18261.3","1.1","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C98 H118 F6 N6 O2 S4 -","- C98 H118 F6 N6 O2 S4 -","- C784 H944 F48 N48 O16 S32 -","8","1","","Wang, Yan-Bo; Tsai, Chia-Lin; Xue, Yung-Jing; Jiang, Bing-Huang; Lu, Han-Cheng; Hong, Jun-Cheng; Huang, Yu-Chi; Huang, Kuo-Hsiu; Chien, Su-Ying; Chen, Chih-Ping; Cheng, Yen-Ju","Fluorinated and methylated <i>ortho</i>-benzodipyrrole-based acceptors suppressing charge recombination and minimizing energy loss in organic photovoltaics.","Chemical science","2025","16","7","3259","3274","10.1039/d4sc07146h","","","0.71073","MoKα","","0.3081","0.1997","","","0.4729","0.5593","","","","","","1.141","","","","has coordinates,has disorder","298141","2025-03-04","19:25:28",""
"1573623","21.223","0.0004","21.3687","0.0005","32.1128","0.0006","91.951","0.001","91.3666","0.0008","103.586","0.001","14140.1","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","CMB","","- C100 H124 F4 N6 O2 S4 -","- C100 H124 F4 N6 O2 S4 -","- C600 H744 F24 N36 O12 S24 -","6","3","","Wang, Yan-Bo; Tsai, Chia-Lin; Xue, Yung-Jing; Jiang, Bing-Huang; Lu, Han-Cheng; Hong, Jun-Cheng; Huang, Yu-Chi; Huang, Kuo-Hsiu; Chien, Su-Ying; Chen, Chih-Ping; Cheng, Yen-Ju","Fluorinated and methylated <i>ortho</i>-benzodipyrrole-based acceptors suppressing charge recombination and minimizing energy loss in organic photovoltaics.","Chemical science","2025","16","7","3259","3274","10.1039/d4sc07146h","","","1.54178","CuKα","","0.2203","0.1717","","","0.4293","0.4806","","","","","","1.675","","","","has coordinates","298141","2025-03-04","19:25:29",""
"1573624","17.021","0.0005","9.85683","0.00019","16.7157","0.0003","90","","90","","90","","2804.44","0.11","293","2","293","2","","","1620000","","","Pressurized to 1.62 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0584","0.0412","","","0.1017","0.1116","","","","","","0.982","","","","has coordinates","298255","2025-03-04","20:12:50",""
"1573625","16.5751","0.0003","9.7432","0.0002","16.0297","0.0003","90","","90","","90","","2588.71","0.09","293","2","293","2","","","3300000","","","Pressurized to 3.30 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0397","0.0321","","","0.0946","0.101","","","","","","1.093","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573626","16.8809","0.0004","9.84471","0.00012","16.2781","0.0008","90","","90","","90","","2705.22","0.15","293","2","293","2","","","2160000","","","Pressurized to 2.16 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0367","0.0309","","","0.087","0.09","","","","","","1.103","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573627","16.758","0.002","9.8015","0.0002","16.1729","0.0003","90","","90","","90","","2656.5","0.3","293","2","293","2","","","2660000","","","Pressurized to 2.66 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0923","0.0718","","","0.1814","0.1944","","","","","","1.065","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573628","17.0148","0.0015","9.8534","0.00019","16.7117","0.0003","90","","90","","90","","2801.8","0.3","293","2","293","2","","","1620000","","","Pressurized to 1.62 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0557","0.0335","","","0.0757","0.0845","","","","","","0.921","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573629","17.0137","0.0003","9.85586","0.00008","16.7032","0.0005","90","","90","","90","","2800.87","0.1","293","2","293","2","","","1620000","","","Pressurized to 1.62 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0325","0.0299","","","0.0802","0.0819","","","","","","0.99","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573630","16.9319","0.0003","9.83974","0.00008","16.6583","0.0005","90","","90","","90","","2775.36","0.1","293","2","293","2","","","1800000","","","Pressurized to 1.80 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0329","0.0301","","","0.0802","0.0821","","","","","","0.995","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573631","16.9299","0.0003","9.84107","0.00014","16.663","0.0003","90","","90","","90","","2776.19","0.08","293","2","293","2","","","1800000","","","Pressurized to 1.80 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0366","0.0322","","","0.0811","0.084","","","","","","0.988","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573632","16.9414","0.0008","9.8439","0.0002","16.6593","0.0005","90","","90","","90","","2778.26","0.17","293","2","293","2","","","1800000","","","Pressurized to 1.80 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.1044","0.0728","","","0.1895","0.2095","","","","","","1.046","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573633","16.3373","0.0007","11.3081","0.0005","17.9484","0.0008","90","","90","","90","","3315.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.13","0.0464","","","0.0761","0.1036","","","","","","1.017","","","","has coordinates,has disorder","298255","2025-03-04","20:12:51",""
"1573634","17.0066","0.0003","9.85656","0.00013","16.7104","0.0003","90","","90","","90","","2801.11","0.08","293","2","293","2","","","1620000","","","Pressurized to 1.62 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0365","0.0326","","","0.0832","0.0863","","","","","","0.995","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573635","16.9382","0.0013","9.83503","0.00015","16.6637","0.0002","90","","90","","90","","2776","0.2","293","2","293","2","","","1800000","","","Pressurized to 1.80 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.05","0.0368","","","0.0873","0.0928","","","","","","1.056","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573636","16.9414","0.0008","9.8439","0.0002","16.6593","0.0005","90","","90","","90","","2778.26","0.17","293","2","293","2","","","1800000","","","Pressurized to 1.80 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","","0.41","synchrotron","","0.0482","0.0357","","","0.0769","0.0842","","","","","","1.051","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573637","17.014","0.0004","9.85573","0.00008","16.71022","0.00018","90","","90","","90","","2802.06","0.08","293","2","293","2","","","1620000","","","Pressurized to 1.62 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","","0.41","synchrotron","","0.0429","0.0307","","","0.0722","0.0756","","","","","","0.988","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573638","16.7535","0.0005","9.80417","0.00016","16.1656","0.0003","90","","90","","90","","2655.27","0.1","293","2","293","2","","","2660000","","","Pressurized to 2.66 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.045","0.0313","","","0.0825","0.0896","","","","","","0.922","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573639","16.883","0.0003","9.85238","0.00017","16.2916","0.0004","90","","90","","90","","2709.91","0.09","293","2","293","2","","","2160000","","","Pressurized to 2.16 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.052","0.0419","","","0.1153","0.1217","","","","","","1.067","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573640","16.7442","0.0003","9.80349","0.0001","16.1545","0.0006","90","","90","","90","","2651.79","0.11","293","2","293","2","","","2660000","","","Pressurized to 2.66 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.054","0.0466","","","0.1193","0.1256","","","","","","1.13","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573641","16.7395","0.0003","9.79915","0.00017","16.1723","0.0003","90","","90","","90","","2652.79","0.08","293","2","293","2","","","2660000","","","Pressurized to 2.66 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0495","0.042","","","0.134","0.1417","","","","","","1.043","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573642","16.8614","0.0015","9.8359","0.0004","16.3043","0.0009","90","","90","","90","","2704","0.3","293","2","293","2","","","2160000","","","Pressurized to 2.16 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.1884","0.1214","","","0.3105","0.3593","","","","","","1.045","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573643","16.7395","0.0003","9.79915","0.00017","16.1723","0.0003","90","","90","","90","","2652.79","0.08","293","2","293","2","","","2660000","","","Pressurized to 2.66 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0606","0.0509","","","0.1082","0.1135","","","","","","1.255","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573644","16.5856","0.0007","9.7494","0.0002","16.0285","0.0004","90","","90","","90","","2591.8","0.14","293","2","293","2","","","3300000","","","Pressurized to 3.30 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0566","0.0406","","","0.0955","0.1039","","","","","","1.191","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573645","16.5789","0.0003","9.75229","0.00009","16.0089","0.0005","90","","90","","90","","2588.35","0.1","293","2","293","2","","","3300000","","","Pressurized to 3.30 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0264","0.0234","","","0.0627","0.0645","","","","","","1.101","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573646","16.883","0.0003","9.85238","0.00017","16.2916","0.0004","90","","90","","90","","2709.91","0.09","293","2","293","2","","","2160000","","","Pressurized to 2.16 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0597","0.0508","","","0.1241","0.1308","","","","","","1.243","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573647","16.5856","0.0007","9.7494","0.0002","16.0285","0.0004","90","","90","","90","","2591.8","0.14","293","2","293","2","","","3300000","","","Pressurized to 3.30 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0638","0.0363","","","0.0784","0.0862","","","","","","0.826","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573648","16.786","0.0017","9.8051","0.00019","16.5696","0.0003","90","","90","","90","","2727.2","0.3","293","2","293","2","","","2160000","","","Pressurized to 2.16 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0721","0.0488","","","0.124","0.1351","","","","","","1.059","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573649","17.17","0.0018","9.9744","0.0005","17.6072","0.0015","90","","90","","90","","3015.4","0.4","295.8","0.2","295.8","0.2","","","570000","","","Pressurized to 0.57 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.0821","0.0476","","","0.0779","0.091","","","","","","1.004","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573650","17.2929","0.0005","9.9154","0.0004","16.8744","0.0007","90","","90","","90","","2893.39","0.19","293","2","293","2","","","940000","","","Pressurized to 0.94 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.083","0.0395","","","0.0447","0.0524","","","","","","1.039","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573651","17.1407","0.001","9.8864","0.0004","16.8388","0.0012","90","","90","","90","","2853.5","0.3","295.5","0.5","295.5","0.5","","","1120000","","","Pressurized to 1.12 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.0691","0.044","","","0.0864","0.0982","","","","","","1","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573652","16.9003","0.0005","9.837","0.0004","16.6364","0.001","90","","90","","90","","2765.8","0.2","293","2","293","2","","","1940000","","","Pressurized to 1.94 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.107","0.0477","","","0.0524","0.0626","","","","","","0.993","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573653","17.3429","0.0004","9.9201","0.0002","16.9287","0.0005","90","","90","","90","","2912.47","0.12","295.65","0.16","295.65","0.16","","","890000","","","Pressurized to 0.89 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.0882","0.0382","","","0.0475","0.0564","","","","","","0.975","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573654","16.0628","0.0009","11.0945","0.0004","17.707","0.0006","90","","90","","90","","3155.5","0.2","295.5","0.3","295.5","0.3","","","330000","","","Pressurized to 0.33 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.1092","0.0522","","","0.1311","0.1734","","","","","","1.04","","","","has coordinates,has disorder","298255","2025-03-04","20:12:51",""
"1573655","16.7021","0.0006","9.883","0.0003","16.8029","0.0004","90","","90","","93.865","0.003","2767.29","0.15","294.7","0.3","294.7","0.3","","","2130000","","","Pressurized to 2.13 GPa and left to stabilize over ? hours.","","5","P 1 1 a","P -2a","7","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","4","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.0749","0.0432","","","0.063","0.0711","","","","","","1.01","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573656","17.6564","0.0008","9.9742","0.0004","17.1118","0.0005","90","","90","","90","","3013.5","0.2","294.3","0.6","294.3","0.6","","","640000","","","Pressurized to 0.64 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.1365","0.0472","","","0.0505","0.064","","","","","","0.977","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573657","16.527","0.003","11.2886","0.0014","17.901","0.013","90","","90","","90","","3340","3","295.1","0.4","295.1","0.4","","","160000","","","Pressurized to 0.16 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.1751","0.044","","","0.0712","0.1075","","","","","","0.954","","","","has coordinates,has disorder","298255","2025-03-04","20:12:51",""
"1573658","16.178","0.0006","11.1922","0.0003","17.8018","0.0008","90","","90","","90","","3223.3","0.2","295.3","1","295.3","1","","","260000","","","Pressurized to 0.26 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.0915","0.0328","","","0.0452","0.0572","","","","","","1.026","","","","has coordinates,has disorder","298255","2025-03-04","20:12:52",""
"1573659","16.9596","0.0008","9.881","0.0003","16.6423","0.0012","90","","90","","90","","2788.9","0.3","295.2","0.6","295.2","0.6","","","1890000","","","Pressurized to 1.89 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.1038","0.045","","","0.0571","0.0682","","","","","","1.013","","","","has coordinates","298255","2025-03-04","20:12:52",""
"1573660","16.168","0.002","10.9575","0.0012","17.526","0.004","90","","90","","90","","3104.9","0.9","295.3","0.4","295.3","0.4","","","450000","","","Pressurized to 0.45 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.2449","0.0537","","","0.0892","0.1402","","","","","","0.923","","","","has coordinates,has disorder","298255","2025-03-04","20:12:52",""
"1573661","17.0578","0.0005","9.8693","0.0002","16.7532","0.0006","90","","90","","90","","2820.38","0.14","295.6","0.3","295.6","0.3","","","1430000","","","Pressurized to 1.43 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.0816","0.0381","","","0.0488","0.0571","","","","","","0.998","","","","has coordinates","298255","2025-03-04","20:12:52",""
"1573662","16.9137","0.0006","9.8518","0.0005","16.3267","0.0011","90","","90","","90","","2720.5","0.2","293","2","293","2","","","2310000","","","Pressurized to 2.31 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.1346","0.083","","","0.164","0.1808","","","","","","1.175","","","","has coordinates","298255","2025-03-04","20:12:52",""
"1573663","16.7686","0.0006","9.8173","0.0002","16.1828","0.0017","90","","90","","90","","2664.1","0.3","293","2","293","2","","","2590000","","","Pressurized to 2.59 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.1155","0.0464","","","0.0601","0.0747","","","","","","1.034","","","","has coordinates","298255","2025-03-04","20:12:52",""
"1573664","17.5579","0.0005","9.9652","0.0004","17.0487","0.0009","90","","90","","90","","2983","0.2","293","2","293","2","","","580000","","","Pressurized to 0.58 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","","0.56087","AgKα","","0.0871","0.0359","","","0.0508","0.064","","","","","","1.01","","","","has coordinates","298255","2025-03-04","20:12:52",""
"1573665","17.0308","0.0006","9.858","0.0005","16.7203","0.0011","90","","90","","90","","2807.2","0.3","293","2","293","2","","","1640000","","","Pressurized to 1.64 GPa and left to stabilize over ? hours.","","5","P b 21 a","P -2a -2ab","29","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","2","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.1401","0.0536","","","0.0988","0.1343","","","","","","1.025","","","","has coordinates","298255","2025-03-04","20:12:52",""
"1573666","16.215","0.003","11.0942","0.0012","17.732","0.004","90","","90","","90","","3189.9","1","295.4","0.16","295.4","0.16","","","320000","","","Pressurized to 0.32 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.1764","0.0525","","","0.0657","0.0953","","","","","","0.923","","","","has coordinates,has disorder","298255","2025-03-04","20:12:52",""
"1573667","8.7742","0.0009","22.4893","0.0019","7.9927","0.0008","90","","103.148","0.003","90","","1535.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 B10 N O -","- C10 H19 B10 N O -","- C40 H76 B40 N4 O4 -","4","1","","Crujeiras, Pablo; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Application of the aza-Wittig reaction for the synthesis of carboranyl Schiff bases, benzothiazoles and benzoselenazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2819","2832","10.1039/d4dt03378g","","","0.71073","MoKα","","0.1093","0.064","","","0.1505","0.1686","","","","","","1.052","","","","has coordinates","298913","2025-04-05","03:11:27",""
"1573668","10.2765","0.0006","21.3974","0.0016","13.8904","0.001","90","","108.8","0.003","90","","2891.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 B10 N O -","- C9 H17 B10 N O -","- C72 H136 B80 N8 O8 -","8","2","","Crujeiras, Pablo; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Application of the aza-Wittig reaction for the synthesis of carboranyl Schiff bases, benzothiazoles and benzoselenazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2819","2832","10.1039/d4dt03378g","","","0.71073","MoKα","","0.0822","0.056","","","0.1273","0.1398","","","","","","1.039","","","","has coordinates","298913","2025-04-05","03:11:31",""
"1573669","10.2795","0.0009","15.2051","0.0013","17.1951","0.0014","90.72","0.004","100.394","0.004","105.753","0.004","2538.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H31 B10 N2 O2 S -","- C19 H31 B10 N2 O2 S -","- C76 H124 B40 N8 O8 S4 -","4","2","","Crujeiras, Pablo; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Application of the aza-Wittig reaction for the synthesis of carboranyl Schiff bases, benzothiazoles and benzoselenazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2819","2832","10.1039/d4dt03378g","","","0.71073","MoKα","","0.1007","0.0716","","","0.1812","0.2029","","","","","","1.018","","","","has coordinates","299663","2025-05-14","10:18:01",""
"1573670","15.1375","0.0001","16.6265","0.0001","16.7014","0.0001","79.222","0.001","67.177","0.001","63.665","0.001","3471.7","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 B10 N P -","- C20 H26 B10 N P -","- C120 H156 B60 N6 P6 -","6","3","","Crujeiras, Pablo; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Application of the aza-Wittig reaction for the synthesis of carboranyl Schiff bases, benzothiazoles and benzoselenazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2819","2832","10.1039/d4dt03378g","","","1.54184","CuKα","","0.105","0.1031","","","0.2696","0.2735","","","","","","1.327","","","","has coordinates","298913","2025-04-05","03:11:48",""
"1573671","6.7117","0.0013","17.891","0.003","13.374","0.003","90","","92.059","0.003","90","","1604.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H19 B10 N Se -","- C10 H19 B10 N Se -","- C40 H76 B40 N4 Se4 -","4","1","","Crujeiras, Pablo; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Application of the aza-Wittig reaction for the synthesis of carboranyl Schiff bases, benzothiazoles and benzoselenazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2819","2832","10.1039/d4dt03378g","","","0.71073","MoKα","","0.0348","0.0262","","","0.0621","0.0661","","","","","","1.047","","","","has coordinates","298913","2025-04-05","03:11:51",""
"1573672","10.231","0.002","11.712","0.003","13.304","0.003","90","","90","","90","","1594.2","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H19 B10 N S -","- C10 H19 B10 N S -","- C40 H76 B40 N4 S4 -","4","1","","Crujeiras, Pablo; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Application of the aza-Wittig reaction for the synthesis of carboranyl Schiff bases, benzothiazoles and benzoselenazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2819","2832","10.1039/d4dt03378g","","","0.71073","MoKα","","0.0397","0.0349","","","0.0887","0.0924","","","","","","1.062","","","","has coordinates","298913","2025-04-05","03:12:00",""
"1573673","9.9493","0.0005","11.5647","0.0006","13.7718","0.0007","90","","93.242","0.002","90","","1582.06","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 B9 N S -","- C10 H20 B9 N S -","- C40 H80 B36 N4 S4 -","4","1","","Crujeiras, Pablo; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Application of the aza-Wittig reaction for the synthesis of carboranyl Schiff bases, benzothiazoles and benzoselenazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2819","2832","10.1039/d4dt03378g","","","0.71073","MoKα","","0.105","0.0613","","","0.138","0.1612","","","","","","1.033","","","","has coordinates","298913","2025-04-05","03:12:03",""
"1573674","11.1107","0.0011","11.3129","0.0011","26.083","0.002","90","","90","","90","","3278.5","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H21 B10 N S -","- C10 H21 B10 N S -","- C80 H168 B80 N8 S8 -","8","1","","Crujeiras, Pablo; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Application of the aza-Wittig reaction for the synthesis of carboranyl Schiff bases, benzothiazoles and benzoselenazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2819","2832","10.1039/d4dt03378g","","","0.71073","MoKα","","0.0745","0.0554","","","0.1403","0.1561","","","","","","1.03","","","","has coordinates,has disorder","298913","2025-04-05","03:12:08",""
"1573675","12.0591","0.0009","10.8146","0.0009","45.473","0.003","90","","90","","90","","5930.3","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H32 B20 N2 S2 -","- C18 H32 B20 N2 S2 -","- C144 H256 B160 N16 S16 -","8","1","","Crujeiras, Pablo; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Application of the aza-Wittig reaction for the synthesis of carboranyl Schiff bases, benzothiazoles and benzoselenazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2819","2832","10.1039/d4dt03378g","","","0.71073","MoKα","","0.1227","0.0695","","","0.1413","0.1673","","","","","","1.034","","","","has coordinates","298913","2025-04-05","03:12:10",""
"1573676","7.0558","0.0008","10.3528","0.0011","11.3035","0.0018","69.599","0.003","87.608","0.005","88.14","0.003","773.08","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 B9 N O S -","- C10 H20 B9 N O S -","- C20 H40 B18 N2 O2 S2 -","2","1","","Crujeiras, Pablo; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Application of the aza-Wittig reaction for the synthesis of carboranyl Schiff bases, benzothiazoles and benzoselenazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2819","2832","10.1039/d4dt03378g","","","0.71073","MoKα","","0.123","0.0638","","","0.1391","0.1648","","","","","","0.994","","","","has coordinates,has disorder","298913","2025-04-05","03:12:20",""
"1573677","51.208","0.005","7.1184","0.0007","31.56","0.004","90","","126.597","0.007","90","","9236.1","1.9","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 B F2 I N O6 -","- C11 H15 B F2 I N O6 -","- C264 H360 B24 F48 I24 N24 O144 -","24","3","","Wu, Hengbo; Luo, Ruitong; Peng, Jingjing; Han, Zijian; Zhang, Renjie; Xu, Zhijian; Zhu, Weiliang; Liu, Hong; Li, Chunpu","B(MIDA)-directed site-selective intermolecular halofluoroalkylation of alkenes: synthesis of diversely functionalized building blocks.","Chemical science","2025","16","6","2710","2717","10.1039/d4sc07900k","","","0.71073","MoKα","","0.0662","0.0421","","","0.0845","0.0963","","","","","","1.025","","","","has coordinates","298130","2025-03-04","19:21:47",""
"1573678","10.2609","0.0001","10.2609","0.0001","10.2609","0.0001","90","","90","","90","","1080.33","0.018","293","2","293","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Cu10 S13 Te4 -","- Cu10.002 S13 Te4 -","- Cu20.004 S26 Te8 -","2","0.0416667","","Zhang, Bo; Zhou, Sheng-Hua; Li, Bing-Xuan; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long","Exploring new horizons in mid-to-far infrared nonlinear optical crystals: the significant potential of trigonal pyramidal [TeS<sub>3</sub>]<sup>2-</sup> functional units.","Chemical science","2025","16","7","3218","3227","10.1039/d4sc07322c","","x-ray","0.71073","MoKα","","0.0141","0.0141","","","0.0306","0.0306","","","","","","1.229","","","","has coordinates","298135","2025-03-04","19:22:49",""
"1573679","9.1009","0.0003","11.0914","0.0006","18.5952","0.0009","81.381","0.004","83.221","0.003","86.838","0.003","1841.52","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,5-Diphenyl-2-[2-(propan-2-ylidene)hydrazin-1-yl]-4,5-dihydro-1<i>H</i>-imidazol-4-one <i>N</i>,<i>N</i>-dimethylformamide hemisolvate","","- C19.5 H21.5 N4.5 O1.5 -","- C19.5 H21.5 N4.5 O1.5 -","- C78 H86 N18 O6 -","4","2","ZN2041","El Moutaouakil Ala Allah, Abderrazzak; M. Kariuki, Benson; Guerrab, Walid; Alsubari, Abdulsalam; A. Said, Musa; Mague, Joel T.; Ramli, Youssef","","Acta Crystallographica, Section E: Crystallographic Communications","2025","81","2","109","113","10.1107/S2056989025000076","","","0.71073","MoKα","","0.0905","0.0604","","","0.1489","0.1734","","","","","","1.056","","","","has coordinates","300305","2025-07-03","09:19:27",""
"1573680","6.8424","0.0001","6.9984","0.0001","8.7888","0.0002","110.448","0.002","90.099","0.002","107.307","0.002","373.851","0.014","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Poly[μ~3~-acetato-diaqua-μ~3~-sulfato-cerium(III)]","","- C2 H7 Ce O8 S -","- C2 H7 Ce O8 S -","- C4 H14 Ce2 O16 S2 -","2","1","HB8117","Ruser, Niklas; Näther, Christian; Stock, Norbert","","Acta Crystallographica, Section E: Crystallographic Communications","2025","81","2","104","108","10.1107/S2056989024012313","","x-ray","0.71073","MoKα","","0.01","0.0099","","","0.0252","0.0252","","","","","","1.084","","","","has coordinates","300305","2025-07-03","09:19:27",""
"1573681","12.8971","0.0001","11.9414","0.0001","13.0718","0.0001","90","","92.374","0.001","90","","2011.45","0.03","298.7","0.3","299.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Triphenylsulfonium triiodide","","- C18 H15 I3 S -","- C18 H15 I3 S -","- C72 H60 I12 S4 -","4","1","EJ2011","Artis, Rylan; Callaway, Waylan; Heyward, Elizabeth; Reyes, Naomi; Roberts, Gavin; Van Ostenbridge, Kaitlyn; Padgett, Clifford W.; Lynch, Will E.","","Acta Crystallographica, Section E: Crystallographic Communications","2025","81","2","114","119","10.1107/S2056989025000118","","","1.54184","CuKα","","0.0374","0.0306","","","0.0733","0.0771","","","","","","1.055","","","","has coordinates","300305","2025-07-03","09:19:28",""
"1573682","9.1289","0.0002","19.1565","0.0004","9.3314","0.0002","90","","90.611","0.002","90","","1631.76","0.06","99.99","0.17","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Triphenylsulfonium perchlorate","","- C18 H15 Cl O4 S -","- C18 H15 Cl O4 S -","- C72 H60 Cl4 O16 S4 -","4","2","EJ2011","Artis, Rylan; Callaway, Waylan; Heyward, Elizabeth; Reyes, Naomi; Roberts, Gavin; Van Ostenbridge, Kaitlyn; Padgett, Clifford W.; Lynch, Will E.","","Acta Crystallographica, Section E: Crystallographic Communications","2025","81","2","114","119","10.1107/S2056989025000118","","","1.54184","CuKα","","0.0506","0.0487","","","0.136","0.1377","","","","","","1.069","","","","has coordinates","300305","2025-07-03","09:19:29",""
"1573683","8.4524","0.0002","18.1483","0.0005","11.4344","0.0003","90","","98.251","0.002","90","","1735.84","0.08","100","0.1","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Triphenylsulfonium hexafluorophosphate","","- C18 H15 F6 P S -","- C18 H15 F6 P S -","- C72 H60 F24 P4 S4 -","4","1","EJ2011","Artis, Rylan; Callaway, Waylan; Heyward, Elizabeth; Reyes, Naomi; Roberts, Gavin; Van Ostenbridge, Kaitlyn; Padgett, Clifford W.; Lynch, Will E.","","Acta Crystallographica, Section E: Crystallographic Communications","2025","81","2","114","119","10.1107/S2056989025000118","","","1.54184","CuKα","","0.0636","0.0566","","","0.1516","0.158","","","","","","1.105","","","","has coordinates","300305","2025-07-03","09:19:29",""
"1573684","8.1174","0.0003","9.5597","0.0004","10.258","0.0004","90","","109.734","0.0014","90","","749.27","0.05","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Acetyl α-<i>D</i>-2,3,4-triacetyllyxopyranoside","","- C13 H18 O9 -","- C13 H18 O9 -","- C26 H36 O18 -","2","1","HB4504","Culver, Shawn; Rhoad, Jonathan S.","","IUCrData","2025","10","1","x250016","","10.1107/S2414314625000161","","","1.54178","CuKα","","0.032","0.0317","","","0.0755","0.0757","","","","","","1.113","","","","has coordinates","300305","2025-07-03","09:19:29",""
"1573685","12.47742","0.00016","15.1037","0.0002","15.7031","0.0002","75.3037","0.0014","72.5571","0.0013","71.7565","0.0013","2639.28","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Methyl 2-amino-4-(morpholin-4-yl)benzo[<i>d</i>]thiazole-6-carboxylate tetartohydrate","","- C13 H15.5 N3 O3.25 S -","- C13 H15.5 N3 O3.25 S -","- C104 H124 N24 O26 S8 -","8","4","HB4503","Uran, Erik; Cotman, Andrej Emanuel; Lozinšek, Matic","","IUCrData","2025","10","1","x241249","","10.1107/S2414314624012495","","x-ray","1.54184","CuKα","","0.0325","0.0307","","","0.0855","0.0872","","","","","","1.065","","","","has coordinates","300305","2025-07-03","09:19:29",""
"1573686","26.623","0.002","12.2818","0.0009","36.081","0.003","90","","90","","90","","11797.7","1.6","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C126 H160 K O6 -","- C114 H132 K O6 -","- C456 H528 K4 O24 -","4","0.5","","Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.","Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion.","Chemical science","2025","16","7","3211","3217","10.1039/d4sc08255a","","x-ray","0.41328","Synchrotron","","0.0732","0.0663","","","0.1843","0.1943","","","","","","1.035","","","","has coordinates,has disorder","298143","2025-03-04","19:26:20",""
"1573687","14.192","0.002","23.883","0.004","28.136","0.005","88.137","0.002","80.21","0.003","77.124","0.002","9161","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C186 H270 N6 O25.5 Rb3 -","- C156 H210 N6 O18 Rb3 -","- C312 H420 N12 O36 Rb6 -","2","1","","Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.","Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion.","Chemical science","2025","16","7","3211","3217","10.1039/d4sc08255a","","x-ray","0.41329","Synchrotron","","0.1852","0.0918","","","0.2525","0.3132","","","","","","1.004","","","","has coordinates,has disorder","298143","2025-03-04","19:26:21",""
"1573688","27.4995","0.0001","27.4995","0.0001","70.8136","0.0005","90","","90","","90","","53550.8","0.5","100","1","100","1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C136 H170 O14.5 Rb2 -","- C126 H150 O12 Rb2 -","- C2016 H2400 O192 Rb32 -","16","1","","Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.","Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion.","Chemical science","2025","16","7","3211","3217","10.1039/d4sc08255a","","x-ray","1.54178","CuKα","","0.0623","0.0485","","","0.1325","0.1452","","","","","","1.031","","","","has coordinates,has disorder","298143","2025-03-04","19:26:21",""
"1573689","11.04999","0.00019","23.491","0.0006","22.4123","0.0004","90","","100.772","0.0017","90","","5715.2","0.2","286","3","286","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 B N2 O3 -","- C30 H29 B N2 O3 -","- C240 H232 B8 N16 O24 -","8","2","","Qin, Hao-Ni; Jiang, Hao-Wen; Zhao, Yi; Qurban, Saira; Wang, Ke-Chun; Xu, Peng-Fei","Photocatalytic [3 + 2]-annulation <i>via</i> sodium tetraarylborate: a fundamental approach for synthesizing 1,4,2-diazaborole analogs.","Chemical science","2025","16","6","2837","2842","10.1039/d4sc08085h","","x-ray","1.54184","CuKα","","0.0651","0.0467","","","0.1185","0.1283","","","","","","1.032","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573690","8.9672","0.0004","14.2728","0.0006","19.4271","0.0009","90","","90","","90","","2486.42","0.19","2035","2","2035","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 I N O5 Si -","- C21 H34 I N O5 Si -","- C84 H136 I4 N4 O20 Si4 -","4","1","","Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu","Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.","Chemical science","2025","16","3","1216","1221","10.1039/d4sc07525k","","","0.71073","MoKα","","0.0333","0.0256","","","0.053","0.0569","","","","","","1.07","","","","has coordinates,has disorder","298163","2025-03-04","19:32:34",""
"1573691","11.95","0.002","6.4623","0.0013","13.674","0.002","90","","103.465","0.005","90","","1026.9","0.3","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","1","","Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu","Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.","Chemical science","2025","16","3","1216","1221","10.1039/d4sc07525k","","","0.71073","MoKα","","0.1784","0.0932","","","0.1118","0.1343","","","","","","1.13","","","","has coordinates,has disorder","298163","2025-03-04","19:32:34",""
"1573692","6.8112","0.0003","9.0531","0.0004","23.2935","0.001","90","","95.8682","0.0016","90","","1428.81","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H45 N O5 Si2 -","- C24 H45 N O5 Si2 -","- C48 H90 N2 O10 Si4 -","2","1","","Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu","Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.","Chemical science","2025","16","3","1216","1221","10.1039/d4sc07525k","","","0.71073","MoKα","","0.0423","0.0372","","","0.0882","0.0902","","","","","","1.051","","","","has coordinates,has disorder","298163","2025-03-04","19:32:34",""
"1573693","8.5047","0.0019","46.069","0.01","6.8117","0.0016","90","","90","","90","","2668.8","1","253","2","253","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H35 I N O5 Si -","- C23 H35 I N O5 Si -","- C92 H140 I4 N4 O20 Si4 -","4","1","","Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu","Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.","Chemical science","2025","16","3","1216","1221","10.1039/d4sc07525k","","","0.71073","MoKα","","0.1205","0.0849","","","0.1419","0.155","","","","","","1.198","","","","has coordinates","298163","2025-03-04","19:32:34",""
"1573694","17.7153","0.0014","5.8663","0.0005","18.0482","0.0015","90","","99.613","0.002","90","","1849.3","0.3","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H50 N2 O12 -","- C36 H50 N2 O12 -","- C72 H100 N4 O24 -","2","1","","Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu","Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.","Chemical science","2025","16","3","1216","1221","10.1039/d4sc07525k","","","0.71073","MoKα","","0.1435","0.0736","","","0.1166","0.137","","","","","","1.094","","","","has coordinates,has disorder","298163","2025-03-04","19:32:34",""
"1573695","16.77164","0.00005","16.77164","0.00005","16.77164","0.00005","90","","90","","90","","4717.66","0.02","100","0.1","100","0.1","","","","","","","","6","I -4 3 m","I -4 2 3","217","","MAF-78","","- C7 H9 Br2 N7 O Zn -","- C7 H9 Br2 N7 O Zn -","- C84 H108 Br24 N84 O12 Zn12 -","12","0.25","","Liang, Zi-Jun; Dong, Fang-Di; Ye, Le; Zheng, Kai; Hu, Ding-Yi; Feng, Xi; Su, Wen-Yu; Wang, Zhi-Shuo; Zhou, Mu-Yang; Fang, Zi-Luo; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Introducing halogen-bonded gates into zeolitic frameworks for efficient benzene/cyclohexene/cyclohexane separation.","Chemical science","2025","16","7","3307","3312","10.1039/d4sc06624c","","x-ray","1.54184","CuKα","","0.0857","0.0857","","","0.2615","0.2616","","","","","","1.093","","","","has coordinates,has disorder","298145","2025-03-04","19:26:44",""
"1573696","16.7719","0.0001","16.7719","0.0001","16.7719","0.0001","90","","90","","90","","4717.88","0.05","100","0.1","100","0.1","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C10.96 H8.96 Br2 N6 Zn -","- C10 H8 Br2 N6 Zn -","- C120 H96 Br24 N72 Zn12 -","12","0.25","","Liang, Zi-Jun; Dong, Fang-Di; Ye, Le; Zheng, Kai; Hu, Ding-Yi; Feng, Xi; Su, Wen-Yu; Wang, Zhi-Shuo; Zhou, Mu-Yang; Fang, Zi-Luo; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Introducing halogen-bonded gates into zeolitic frameworks for efficient benzene/cyclohexene/cyclohexane separation.","Chemical science","2025","16","7","3307","3312","10.1039/d4sc06624c","","x-ray","1.54184","CuKα","","0.0468","0.0468","","","0.13","0.13","","","","","","1.102","","","","has coordinates,has disorder","298145","2025-03-04","19:26:44",""
"1573697","4.9516","0.0003","7.6029","0.0004","7.1865","0.0004","90","","105.062","0.006","90","","261.25","0.03","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- O7 S Te Ti -","- O7 S Te Ti -","- O14 S2 Te2 Ti2 -","2","1","","Li, Zhenhua; Liang, Zhengli; Wan, Jiahao; Liu, Lehui; Wu, Chunxiang; Wang, Ping; Jiang, Xingxing; Lin, Zheshuai; Liu, Hongming","Different p-block elements induce C<sub>3</sub>[111] octahedral distortion in titanium to generate an intense nonlinear effect.","Chemical science","2025","16","7","3329","3335","10.1039/d4sc06620k","","","0.71073","MoKα","","0.0244","0.0232","","","0.0445","0.0453","","","","","","1.07","","","","has coordinates","298139","2025-03-04","19:24:42",""
"1573698","10.5976","0.0007","19.2049","0.0013","23.4676","0.0017","76.93","0.003","89.321","0.003","78.848","0.003","4562.1","0.5","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H66 Mg N2 P -","- C51 H66 Mg N2 P -","- C204 H264 Mg4 N8 P4 -","4","2","","Zhang, Rongping; Cai, Yanping; Xu, Xin","Synthesis and characterization of heterotrimetallic Mg-Ni-Mg complexes with amidinato ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3437","3443","10.1039/d4dt03495c","","","1.34138","GaKα","","0.1479","0.0753","","","0.1983","0.2347","","","","","","1.057","","","","has coordinates","298260","2025-03-04","20:14:52",""
"1573699","18.2558","0.0011","15.2714","0.0009","18.9886","0.0012","90","","104.001","0.002","90","","5136.6","0.5","150","","150","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C120 H140 Mg2 N4 Ni P2 -","- C120 H140 Mg2 N4 Ni P2 -","- C240 H280 Mg4 N8 Ni2 P4 -","2","0.5","","Zhang, Rongping; Cai, Yanping; Xu, Xin","Synthesis and characterization of heterotrimetallic Mg-Ni-Mg complexes with amidinato ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3437","3443","10.1039/d4dt03495c","","","1.34139","GaKα","","0.0621","0.0549","","","0.1504","0.1551","","","","","","1.113","","","","has coordinates,has disorder","298260","2025-03-04","20:14:53",""
"1573700","9.0128","0.0004","10.6971","0.0004","15.9172","0.0006","107.928","0.001","93.399","0.001","105.329","0.001","1391.49","0.1","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H88 Mg2 N4 Ni P2 -","- C50 H88 Mg2 N4 Ni P2 -","- C50 H88 Mg2 N4 Ni P2 -","1","0.5","","Zhang, Rongping; Cai, Yanping; Xu, Xin","Synthesis and characterization of heterotrimetallic Mg-Ni-Mg complexes with amidinato ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3437","3443","10.1039/d4dt03495c","","","0.71073","MoKα","","0.0648","0.0433","","","0.1064","0.1228","","","","","","1.061","","","","has coordinates","298260","2025-03-04","20:14:53",""
"1573701","19.0876","0.0012","11.5755","0.0008","28.1191","0.0018","90","","95.476","0.002","90","","6184.5","0.7","296.15","","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H104 Mg2 N4 Ni O2 P2 -","- C58 H104 Mg2 N4 Ni O2 P2 -","- C232 H416 Mg8 N16 Ni4 O8 P8 -","4","0.5","","Zhang, Rongping; Cai, Yanping; Xu, Xin","Synthesis and characterization of heterotrimetallic Mg-Ni-Mg complexes with amidinato ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3437","3443","10.1039/d4dt03495c","","","0.71073","MoKα","","0.141","0.0585","","","0.1145","0.1375","","","","","","1.023","","","","has coordinates","298260","2025-03-04","20:14:53",""
"1573702","15.0759","0.0014","18.5965","0.0017","20.2198","0.0016","110.227","0.003","101.922","0.004","108.78","0.004","4702.6","0.8","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H113 Mg2 N4 Ni O2 P2 -","- C96 H112 Mg2 N4 Ni O2 P2 -","- C192 H224 Mg4 N8 Ni2 O4 P4 -","2","1","","Zhang, Rongping; Cai, Yanping; Xu, Xin","Synthesis and characterization of heterotrimetallic Mg-Ni-Mg complexes with amidinato ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3437","3443","10.1039/d4dt03495c","","","1.34138","GaKα","","0.0807","0.0573","","","0.1575","0.1692","","","","","","1.105","","","","has coordinates","298260","2025-03-04","20:14:53",""
"1573703","11.823","0.0003","13.6657","0.0003","23.0648","0.0006","100.582","0.002","94.663","0.002","108.17","0.002","3442.01","0.16","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H54 F3 N5 O4 S2 -","- C72 H54 F3 N5 O4 S2 -","- C144 H108 F6 N10 O8 S4 -","2","1","","Liu, Junxiang; Wang, Kangmin; Wan, Liqiu; Yang, Xianhui; Li, Bijin","Ruthenium-catalyzed C-H bond activation and annulation of phenothiazine-3-carbaldehydes: facile access to dual-emission materials.","Chemical science","2025","16","7","3107","3113","10.1039/d4sc07825j","","x-ray","1.54184","CuKα","","0.3465","0.3244","","","0.6657","0.6974","","","","","","3.328","","","","has coordinates","298137","2025-03-04","19:23:40",""
"1573704","8.1766","0.0001","15.5546","0.0002","14.6671","0.0002","90","","99.429","0.001","90","","1840.21","0.04","110","0.1","110","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 F3 N Zr -","- C21 H20 F3 N Zr -","- C84 H80 F12 N4 Zr4 -","4","1","","Bonfante, Sara; Tanner, Theo F. N.; Lorber, Christian; Lynam, Jason M.; Simonneau, Antoine; Slattery, John M.","Zirconium-mediated carbon-fluorine bond functionalisation through cyclohexyne ""umpolung"".","Chemical science","2025","16","8","3552","3559","10.1039/d4sc08522a","","x-ray","1.54184","CuKα","","0.0274","0.0247","","","0.0608","0.0621","","","","","","1.095","","","","has coordinates","298106","2025-03-04","19:07:20",""
"1573705","8.2387","0.0012","8.2964","0.0013","10.4688","0.0017","93.346","0.006","92.138","0.005","109.112","0.005","673.76","0.18","285","2","285","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H8 O S2 -","- C5 H8 O S2 -","- C20 H32 O4 S8 -","4","2","","Liu, Long-Hai; Wang, Si-Qi; Fan, Hua-Zhong; Cao, Qing; Cai, Zhongzheng; Zhu, Jian-Bo","Chemically recyclable poly(thioether-thioester)s via ring-opening polymerization of seven-membered thiolactones","Polymer Chemistry","2025","16","8","972","978","10.1039/D4PY01442A","","","0.71073","MoKα","","0.0657","0.0453","","","0.111","0.12","","","","","","1.052","","","","has coordinates","299151","2025-04-05","04:24:28",""
"1573706","9.889","0.008","23.89","0.02","12.335","0.01","90","","98.52","0.02","90","","2882","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C120 H120 N24 O8 S8 -","8","2","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0503","0.04","","","0.0919","0.0971","","","","","","1.031","","","","has coordinates","298138","2025-03-04","19:24:32",""
"1573707","5.9879","0.0013","10.235","0.003","11.312","0.003","66.744","0.009","82.452","0.008","86.562","0.013","631.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N3 S -","- C14 H13 N3 S -","- C28 H26 N6 S2 -","2","1","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0368","0.033","","","0.0837","0.0859","","","","","","1.051","","","","has coordinates","298138","2025-03-04","19:24:33",""
"1573708","7.866","0.002","8.231","0.002","11.963","0.005","92.336","0.004","96.812","0.011","111.933","0.013","710.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cl2 N3 S -","- C14 H11 Cl2 N3 S -","- C28 H22 Cl4 N6 S2 -","2","1","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0297","0.0264","","","0.0666","0.0683","","","","","","1.026","","","","has coordinates","298138","2025-03-04","19:24:33",""
"1573709","6.643","0.006","7.435","0.007","28.49","0.03","90","","90","","90","","1407","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 O S -","- C14 H14 N4 O S -","- C56 H56 N16 O4 S4 -","4","1","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0342","0.0324","","","0.0787","0.0797","","","","","","1.057","","","","has coordinates","298138","2025-03-04","19:24:33",""
"1573710","5.689","0.002","10.012","0.003","11.393","0.004","71.163","0.006","82.543","0.01","87.953","0.018","609","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 S2 -","- C12 H11 N3 S2 -","- C24 H22 N6 S4 -","2","1","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0296","0.0271","","","0.0744","0.0762","","","","","","1.042","","","","has coordinates,has disorder","298138","2025-03-04","19:24:33",""
"1573711","5.823","0.002","9.744","0.004","11.011","0.004","70.013","0.009","83.399","0.009","88.167","0.008","583.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C24 H22 N6 O2 S2 -","2","1","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0359","0.0319","","","0.0853","0.0874","","","","","","1.072","","","","has coordinates,has disorder","298138","2025-03-04","19:24:33",""
"1573712","28.98","0.009","6.951","0.003","14.974","0.005","90","","110.329","0.011","90","","2828.5","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 F5 N3 S -","- C14 H8 F5 N3 S -","- C112 H64 F40 N24 S8 -","8","1","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0502","0.0386","","","0.0942","0.1","","","","","","1.053","","","","has coordinates","298138","2025-03-04","19:24:33",""
"1573713","8.589","0.003","9.902","0.004","14.679","0.006","106.882","0.005","94.204","0.003","111.756","0.003","1086.3","0.7","86","2","86","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 F3 O2 Si -","- C27 H19 F3 O2 Si -","- C54 H38 F6 O4 Si2 -","2","1","","Matsuo, Tomotoki; Sano, Masaki; Sumida, Yuto; Ohmiya, Hirohisa","Organic photoredox-catalyzed unimolecular PCET of benzylic alcohols.","Chemical science","2025","16","7","3150","3156","10.1039/d4sc07048h","","","0.71073","MoKα","","0.0383","0.0348","","","0.0919","0.0945","","","","","","1.036","","","","has coordinates","298144","2025-03-04","19:26:29",""
"1573714","10.8473","0.0005","12.4152","0.0005","13.176","0.0006","99.7051","0.0008","91.9863","0.0009","103.746","0.0009","1693.76","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H42 N12 O58 Si W12 -","- C24 H42 N12 O58 Si W12 -","- C24 H42 N12 O58 Si W12 -","1","0.5","","Greijer, Björn; Nefedova, Alexandra; Agback, Tatiana; Agback, Peter; Kisand, Vambola; Rausalu, Kai; Vanetsev, Alexander; Seisenbaeva, Gulaim A.; Ivask, Angela; Kessler, Vadim G.","Molecular mechanisms behind the anti corona virus activity of small metal oxide nanoparticles.","Nanoscale","2025","17","7","3728","3738","10.1039/d4nr03730h","","","0.71073","MoKα","","0.0666","0.0655","","","0.1564","0.157","","","","","","1.181","","","","has coordinates","298976","2025-04-05","03:33:02",""
"1573715","32.191","0.003","14.8183","0.0012","15.3532","0.0013","90","","91.018","0.002","90","","7322.6","1.1","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 N6 O56 S3 Si W12 -","- C24 H42 N6 O54 S3 Si W12 -","- C96 H168 N24 O216 S12 Si4 W48 -","4","1","","Greijer, Björn; Nefedova, Alexandra; Agback, Tatiana; Agback, Peter; Kisand, Vambola; Rausalu, Kai; Vanetsev, Alexander; Seisenbaeva, Gulaim A.; Ivask, Angela; Kessler, Vadim G.","Molecular mechanisms behind the anti corona virus activity of small metal oxide nanoparticles.","Nanoscale","2025","17","7","3728","3738","10.1039/d4nr03730h","","","0.71073","MoKα","","0.1115","0.0745","","","0.1789","0.1945","","","","","","1.06","","","","has coordinates","298976","2025-04-05","03:33:02",""
"1573716","7.767","0.003","10.906","0.004","12.122","0.004","90","","90.8","0.02","90","","1026.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6-bromo-3,6-dimethyl-5,6-dihydrobenzo[b]selenophen-7(4H)-one","","","- C10 H11 Br O Se -","- C10 H11 Br O Se -","- C40 H44 Br4 O4 Se4 -","4","1","","Telo, João P; Veiros, Luis F.; André, Vânia; da Silva, João Ferreira; Justino, Gonçalo C; Antunes, Alexandra M. M.","Monoterpenoid selenophenes derived from (-)-carvone with GPx-like activity.","Organic & biomolecular chemistry","2025","23","9","2153","2161","10.1039/d4ob01942c","","","0.71073","MoKα","","0.0602","0.0376","","","0.0827","0.0884","","","","","","1.022","","","","has coordinates","299118","2025-04-05","04:08:30",""
"1573717","7.3","0.007","10.358","0.009","12.964","0.012","90","","91.02","0.02","90","","980.1","1.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 O Se -","- C10 H12 O Se -","- C40 H48 O4 Se4 -","4","1","","Telo, João P; Veiros, Luis F.; André, Vânia; da Silva, João Ferreira; Justino, Gonçalo C; Antunes, Alexandra M. M.","Monoterpenoid selenophenes derived from (-)-carvone with GPx-like activity.","Organic & biomolecular chemistry","2025","23","9","2153","2161","10.1039/d4ob01942c","","","0.71073","MoKα","","0.1526","0.065","","","0.1539","0.1885","","","","","","1.019","","","","has coordinates","299118","2025-04-05","04:08:32",""
"1573718","10.0831","0.0014","10.4303","0.0015","10.7237","0.0016","71.641","0.006","70.303","0.006","63.501","0.006","932","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 O2 Se2 -","- C20 H22 O2 Se2 -","- C40 H44 O4 Se4 -","2","1","","Telo, João P; Veiros, Luis F.; André, Vânia; da Silva, João Ferreira; Justino, Gonçalo C; Antunes, Alexandra M. M.","Monoterpenoid selenophenes derived from (-)-carvone with GPx-like activity.","Organic & biomolecular chemistry","2025","23","9","2153","2161","10.1039/d4ob01942c","","","0.71073","MoKα","","0.1052","0.0561","","","0.0915","0.1065","","","","","","1.012","","","","has coordinates","299118","2025-04-05","04:08:34",""
"1573719","13.146361","","8.262589","","8.977835","","90","","104.96","","90","","942.147","","","","","","","","","","","","","3","P 1 21/c 1 (2*a+c,b,c)","-P 2ybc (1/2*x,y,-1/2*x+z)","14","Ni2P2O7","","","- Ni2 O7 P2 -","- Ni2 O7 P2 -","- Ni16 O56 P16 -","8","","","Patil, Satyajeet S.; Patil, Akhilesh P.; Redekar, Rahul S.; Pawar, Shweta M.; Tarwal, Nilesh L.; Patil, Pramod S.","Study of 2D layered nickel pyrophosphate using 3D Bode mapping and stability forecasting for supercapacitors","Colloids and Surfaces A: Physicochemical and Engineering","2025","707","","135829","","10.1016/j.colsurfa.2024.135829","","","","","","","","","","","","","","","","","","","","","has coordinates","297381","2025-01-19","12:39:12",""
"1573721","22.3235","0.0002","15.8553","0.0001","17.5716","0.0002","90","","90","","90","","6219.39","0.1","160","0.1","160","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C58 H52 Co F24 N6 O P4 Re2 -","- C54 H42 Co F24 N6 P4 Re2 -","- C216 H168 Co4 F96 N24 P16 Re8 -","4","0.5","","Csucker, Joshua; Grundmann, Nora Sophie; Blacque, Olivier; Spingler, Bernhard; Alberto, Roger","The role of [Re(η6-arene)2]+ substituents in electro- and photocatalytic water reduction with [Co(terpy)2]3+ catalysts","Catalysis Science & Technology","2025","15","5","1627","1633","10.1039/D4CY01282H","","x-ray","1.54184","CuKα","","0.0492","0.0457","","","0.1351","0.1384","","","","","","1.065","","","","has coordinates,has disorder","297978","2025-03-04","18:03:25",""
"1573722","14.7621","0.0002","16.5626","0.0002","20.9736","0.0003","90","","101.077","0.001","90","","5032.48","0.12","160","0.1","160","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Co F18 N10 P3 -","- C46 H38 Co F18 N10 P3 -","- C184 H152 Co4 F72 N40 P12 -","4","0.5","","Csucker, Joshua; Grundmann, Nora Sophie; Blacque, Olivier; Spingler, Bernhard; Alberto, Roger","The role of [Re(η6-arene)2]+ substituents in electro- and photocatalytic water reduction with [Co(terpy)2]3+ catalysts","Catalysis Science & Technology","2025","15","5","1627","1633","10.1039/D4CY01282H","","x-ray","1.54184","CuKα","","0.0398","0.0348","","","0.0858","0.0892","","","","","","1.05","","","","has coordinates,has disorder","297978","2025-03-04","18:03:27",""
"1573723","12.1888","0.0005","21.4924","0.0007","24.0881","0.0007","90","","104.142","0.004","90","","6119","0.4","160","0.1","160","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H44 Co F30 N8 P5 Re2 -","- C54 H44 Co F30 N8 P5 Re2 -","- C216 H176 Co4 F120 N32 P20 Re8 -","4","1","","Csucker, Joshua; Grundmann, Nora Sophie; Blacque, Olivier; Spingler, Bernhard; Alberto, Roger","The role of [Re(η6-arene)2]+ substituents in electro- and photocatalytic water reduction with [Co(terpy)2]3+ catalysts","Catalysis Science & Technology","2025","15","5","1627","1633","10.1039/D4CY01282H","","x-ray","1.54184","CuKα","","0.1623","0.1195","","","0.3572","0.3996","","","","","","1.451","","","","has coordinates","297978","2025-03-04","18:03:27",""
"1573724","9.24728","0.00016","27.2919","0.0006","24.3585","0.0004","90","","95.1273","0.0016","90","","6122.9","0.2","159.99","0.1","159.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Co F24 N8 P4 Re2 -","- C54 H44 Co F24 N8 P4 Re2 -","- C216 H176 Co4 F96 N32 P16 Re8 -","4","1","","Csucker, Joshua; Grundmann, Nora Sophie; Blacque, Olivier; Spingler, Bernhard; Alberto, Roger","The role of [Re(η6-arene)2]+ substituents in electro- and photocatalytic water reduction with [Co(terpy)2]3+ catalysts","Catalysis Science & Technology","2025","15","5","1627","1633","10.1039/D4CY01282H","","x-ray","1.54184","CuKα","","0.0835","0.0592","","","0.1528","0.1649","","","","","","1.048","","","","has coordinates","297978","2025-03-04","18:03:27",""
"1573725","10.4701","0.0003","8.8984","0.0002","19.622","0.0005","90","","99.531","0.003","90","","1802.89","0.08","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","benzo[c]phenanthro[9,10-a]phenanthridine","","- C29 H17 N -","- C29 H17 N -","- C116 H68 N4 -","4","1","","Maekawa, Takehisa; Itami, Kenichiro","Rapid access to functionalized nanographenes through a palladium-catalyzed multi-annulation sequence.","Chemical science","2025","16","7","3092","3098","10.1039/d4sc07995g","","","0.71073","MoKα","","0.0382","0.0321","","","0.0809","0.0843","","","","","","1.049","","","","has coordinates","298142","2025-03-04","19:25:38",""
"1573726","8.029","0.0003","12.7021","0.0004","13.0187","0.0004","90","","93.446","0.003","90","","1325.31","0.08","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N3 O3 -","- C16 H13 N3 O3 -","- C64 H52 N12 O12 -","4","1","","Korica, Milenko; Komar, Mario; Molnar, Maja; Nemec, Vinko; Cinčić, Dominik; Balić, Tomislav","Structural and thermal properties of 3-substituted quinazolinone Schiff base conjugates","New Journal of Chemistry","2025","49","8","3067","3077","10.1039/D4NJ04028G","","","0.71073","MoKα","","0.0489","0.0409","","","0.1104","0.1157","","","","","","1.062","","","","has coordinates","299000","2025-04-05","03:41:37",""
"1573727","11.4544","0.0006","15.8163","0.0008","7.4627","0.0004","90","","103.569","0.006","90","","1314.25","0.12","294.98","0.13","294.98","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Korica, Milenko; Komar, Mario; Molnar, Maja; Nemec, Vinko; Cinčić, Dominik; Balić, Tomislav","Structural and thermal properties of 3-substituted quinazolinone Schiff base conjugates","New Journal of Chemistry","2025","49","8","3067","3077","10.1039/D4NJ04028G","","","0.71073","MoKα","","0.0649","0.0564","","","0.1072","0.1118","","","","","","1.047","","","","has coordinates","299000","2025-04-05","03:41:38",""
"1573728","3.9386","0.0001","29.5669","0.0007","11.7999","0.0002","90","","96.592","0.002","90","","1365.04","0.05","294.98","0.11","294.98","0.11","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2","3-{(E)-[(2,4-dihydroxyphenyl)methylidene]amino}-2-methylquinazolin-4(3H)-one","","- C16 H13 N3 O3 -","- C16 H13 N3 O3 -","- C64 H52 N12 O12 -","4","1","","Korica, Milenko; Komar, Mario; Molnar, Maja; Nemec, Vinko; Cinčić, Dominik; Balić, Tomislav","Structural and thermal properties of 3-substituted quinazolinone Schiff base conjugates","New Journal of Chemistry","2025","49","8","3067","3077","10.1039/D4NJ04028G","","","1.54184","CuKα","","0.0535","0.0442","","","0.1192","0.1275","","","","","","1.066","","","","has coordinates","299000","2025-04-05","03:41:38",""
"1573729","7.9879","0.0003","13.1032","0.0004","14.7678","0.0006","71.525","0.003","76.046","0.003","81.964","0.003","1419.4","0.09","294.99","0.12","294.99","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl N3 O -","- C16 H12 Cl N3 O -","- C64 H48 Cl4 N12 O4 -","4","2","","Korica, Milenko; Komar, Mario; Molnar, Maja; Nemec, Vinko; Cinčić, Dominik; Balić, Tomislav","Structural and thermal properties of 3-substituted quinazolinone Schiff base conjugates","New Journal of Chemistry","2025","49","8","3067","3077","10.1039/D4NJ04028G","","","0.71073","MoKα","","0.0638","0.0477","","","0.1321","0.1415","","","","","","1.039","","","","has coordinates","299000","2025-04-05","03:41:38",""
"1573730","8.7501","0.001","8.951","0.0007","21.2255","0.0013","90","","97.446","0.008","90","","1648.4","0.3","294.98","0.11","294.98","0.11","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O4 -","- C17 H17 N3 O4 -","- C68 H68 N12 O16 -","4","1","","Korica, Milenko; Komar, Mario; Molnar, Maja; Nemec, Vinko; Cinčić, Dominik; Balić, Tomislav","Structural and thermal properties of 3-substituted quinazolinone Schiff base conjugates","New Journal of Chemistry","2025","49","8","3067","3077","10.1039/D4NJ04028G","","","0.71073","MoKα","","0.0959","0.0652","","","0.1633","0.1817","","","","","","1.024","","","","has coordinates","299000","2025-04-05","03:41:38",""
"1573731","15.0869","0.0003","14.2481","0.0002","31.3091","0.0005","90","","96.596","0.002","90","","6685.6","0.2","296","","296","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H56 Br4 N2 Zn -","- C24 H56 Br4 N2 Zn -","- C192 H448 Br32 N16 Zn8 -","8","1","","Yang, Yongqi; Ke, Bao; Yang, Chengzhi; Xue, Yang; Huang, Kaihuang; Lu, Xintong; Zou, Bingsuo","Multifunctional applications enabled by tunable multi-emission and ultra-broadband VIS-NIR luminescence <i>via</i> energy transfer in Sn<sup>2+</sup>/Mn<sup>2+</sup>-doped lead-free Zn-based metal halides.","Materials horizons","2025","12","8","2564","2576","10.1039/d4mh01821d","","x-ray","1.54184","CuKα","","0.0839","0.0768","","","0.2031","0.2144","","","","","","1.036","","","","has coordinates,has disorder","301191","2025-07-06","18:04:46",""
"1573732","15.245","0.0013","17.2704","0.0013","17.6243","0.0014","92.495","0.003","102.397","0.003","112.807","0.002","4136.1","0.6","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C79 H80 B5 F24 N5 O2 Sn -","- C78 H69 B F24 N4 O2 Sn -","- C156 H138 B2 F48 N8 O4 Sn2 -","2","1","","Niu, Dechuang; Kostenko, Arseni; Kelly, John A.; Sarkar, Debotra; Xu, Huihui; Inoue, Shigeyoshi","CO<sub>2</sub> hydrosilylation catalyzed by an N-heterocyclic carbene (NHC)-stabilized stannyliumylidene.","Chemical science","2025","16","9","4014","4022","10.1039/d4sc07116f","","","0.71073","MoKα","","0.0457","0.0418","","","0.1026","0.1061","","","","","","1.067","","","","has coordinates,has disorder","298151","2025-03-04","19:27:52",""
"1573733","13.4232","0.0004","17.0569","0.0006","18.5469","0.0007","102.535","0.003","101.839","0.003","109.969","0.003","3711.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C70.01 H61 B F24 N4 Sn -","- C70 H61 B F24 N4 Sn -","- C140 H122 B2 F48 N8 Sn2 -","2","1","","Niu, Dechuang; Kostenko, Arseni; Kelly, John A.; Sarkar, Debotra; Xu, Huihui; Inoue, Shigeyoshi","CO<sub>2</sub> hydrosilylation catalyzed by an N-heterocyclic carbene (NHC)-stabilized stannyliumylidene.","Chemical science","2025","16","9","4014","4022","10.1039/d4sc07116f","","","1.54184","CuKα","","0.0649","0.0484","","","0.1198","0.1323","","","","","","1.032","","","","has coordinates,has disorder","298151","2025-03-04","19:27:53",""
"1573734","10.4739","0.0005","16.089","0.0008","23.3384","0.0011","109.831","0.002","92.107","0.002","102.86","0.002","3579.7","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H61 B F24 N4 O4 Sn -","- C72 H61 B F24 N4 O4 Sn -","- C144 H122 B2 F48 N8 O8 Sn2 -","2","1","","Niu, Dechuang; Kostenko, Arseni; Kelly, John A.; Sarkar, Debotra; Xu, Huihui; Inoue, Shigeyoshi","CO<sub>2</sub> hydrosilylation catalyzed by an N-heterocyclic carbene (NHC)-stabilized stannyliumylidene.","Chemical science","2025","16","9","4014","4022","10.1039/d4sc07116f","","","0.71073","MoKα","","0.0325","0.0299","","","0.0702","0.0719","","","","","","1.029","","","","has coordinates,has disorder","298151","2025-03-04","19:27:53",""
"1573735","36.1356","0.0002","16.4719","0.0002","28.0985","0.0003","90","","90","","90","","16724.8","0.3","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C70 H86 Cl2 Cu6 F9 N7 O7 S4 -","- C60 H68 Cl2 Cu6 F6 N5 O3 S4 -","- C480 H544 Cl16 Cu48 F48 N40 O24 S32 -","8","1","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","","1.54184","CuKα","","0.1215","0.1032","","","0.3038","0.3217","","","","","","1.055","","","","has coordinates,has disorder","298129","2025-03-04","19:21:23",""
"1573736","30.937","0.0004","30.937","0.0004","30.937","0.0004","90","","90","","90","","29609.7","0.7","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C124 H178.5 Cu6 N18.5 O10.5 S4 -","- C82 H84 Cu6 N8 S4 -","- C656 H672 Cu48 N64 S32 -","8","0.333333","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","x-ray","1.54178","CuKα","","0.2063","0.1048","","","0.1627","0.243","","","","","","1.028","","","","has coordinates","298129","2025-03-04","19:21:25",""
"1573737","40.186","0.002","17.9336","0.001","43.303","0.002","90","","108.171","0.002","90","","29651","3","273.15","","273.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H99 Cu7 F9 N15 O15 S4 -","- C72 H81 Cu7 F6 N13 O11 S4 -","- C576 H648 Cu56 F48 N104 O88 S32 -","8","1","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","","0.71073","MoKα","","0.1198","0.0791","","","0.2368","0.2649","","","","","","1.08","","","","has coordinates","298129","2025-03-04","19:21:26",""
"1573738","13.4577","0.0014","13.9427","0.0013","13.9994","0.0014","82.041","0.003","82.058","0.003","75.543","0.003","2504.4","0.4","273.15","","273.15","","","","","","","","","8","P -1","-P 1","2","","","","- C3.21 H3.97 Cl0.49 Cu0.48 F0.57 N0.19 O0.38 S0.29 -","- C3.04762 H3.71429 Cu0.47619 F0.571429 N0.190476 O0.380952 S0.285714 -","- C64 H78 Cu10 F12 N4 O8 S6 -","21","10.5","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","","0.71073","MoKα","","0.0981","0.0681","","","0.1717","0.1916","","","","","","1.024","","","","has coordinates","298129","2025-03-04","19:21:27",""
"1573739","24.6205","0.0009","17.0084","0.0007","22.4482","0.0009","90","","90","","90","","9400.3","0.6","273.15","","273.15","","","","","","","","","8","I m m a","-I 2b 2","74","","","","- C42.5 H48 Cl5 Cu6 F3 N4 O2 S8 -","- C40 H43 Cu6 F3 N4 O2 S8 -","- C160 H172 Cu24 F12 N16 O8 S32 -","4","0.25","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","","0.71073","MoKα","","0.0961","0.0796","","","0.1768","0.1862","","","","","","1.089","","","","has coordinates,has disorder","298129","2025-03-04","19:21:28",""
"1573740","13.9234","0.0004","11.9576","0.0004","23.9446","0.0007","90","","91.901","0.001","90","","3984.4","0.2","273.15","","273.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 Cl2 Cu5 F6 N4 O4 S3 -","- C29 H37 Cl2 Cu5 F6 N2 O4 S3 -","- C116 H148 Cl8 Cu20 F24 N8 O16 S12 -","4","1","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","","0.71073","MoKα","","0.0691","0.0509","","","0.1206","0.1298","","","","","","1.031","","","","has coordinates","298129","2025-03-04","19:21:28",""
"1573741","20.5359","0.001","15.906","0.0008","18.1932","0.001","90","","102.802","0.002","90","","5795","0.5","90.15","","90.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","n/a","","- C2.8 H3.28 Cl0.16 Cu0.4 F0.48 N0.16 O0.32 S0.4 -","- C2.72 H3.12 Cu0.4 F0.48 N0.16 O0.32 S0.4 -","- C136 H156 Cu20 F24 N8 O16 S20 -","50","12.5","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","","0.71073","MoKα","","0.0958","0.0582","","","0.1524","0.1738","","","","","","1.05","","","","has coordinates,has disorder","298129","2025-03-04","19:21:31",""
"1573742","17.9182","0.0007","19.9055","0.0008","13.5411","0.0006","90","","127.513","0.001","90","","3831","0.3","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H42 B2 N2 O2 -","- C50 H42 B2 N2 O2 -","- C200 H168 B8 N8 O8 -","4","0.5","","Xue, Zhuixing; Xiao, Zhengqi; Zou, Yang; Chen, Zhanxiang; Liu, Jiahui; Huang, Zhongyan; Yang, Chuluo","A mesityl-functionalized double-boron-nitrogen-oxygen-embedded multi-resonance framework achieves anti-quenching narrowband deep-blue electroluminescence with EQE over 30% and CIE <sub><i>y</i></sub> of 0.046.","Chemical science","2025","16","8","3655","3661","10.1039/d4sc07503j","","","1.34139","GaKα","","0.0635","0.0548","","","0.1604","0.1686","","","","","","1.09","","","","has coordinates","298107","2025-03-04","19:07:48",""
"1573743","16.4777","0.0008","19.3715","0.0009","19.7104","0.0009","82.656","0.002","89.376","0.002","77.021","0.002","6079.5","0.5","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H62 B2 N2 O2 -","- C68 H62 B2 N2 O2 -","- C272 H248 B8 N8 O8 -","4","2","","Xue, Zhuixing; Xiao, Zhengqi; Zou, Yang; Chen, Zhanxiang; Liu, Jiahui; Huang, Zhongyan; Yang, Chuluo","A mesityl-functionalized double-boron-nitrogen-oxygen-embedded multi-resonance framework achieves anti-quenching narrowband deep-blue electroluminescence with EQE over 30% and CIE <sub><i>y</i></sub> of 0.046.","Chemical science","2025","16","8","3655","3661","10.1039/d4sc07503j","","","1.34139","GaKα","","0.083","0.069","","","0.2106","0.2235","","","","","","1.068","","","","has coordinates,has disorder","298107","2025-03-04","19:07:49",""
"1573744","20.926","0.005","20.984","0.005","21.932","0.005","64.82","0.009","76.693","0.01","77.002","0.009","8393","3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C312 H372 N36 O42 S24 Ti12 -","- C240 H264 O42 S24 Ti12 -","- C240 H264 O42 S24 Ti12 -","1","0.5","","Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao","Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction","Chemical Science","2025","16","16","6845","6852","10.1039/D4SC07186G","","x-ray","1.34139","GaKα","","0.1608","0.1376","","","0.3421","0.3582","","","","","","0.955","","","","has coordinates,has disorder","300613","2025-07-06","14:20:47",""
"1573745","16.0181","0.0003","18.7809","0.0003","30.2892","0.0005","90","","92.8776","0.0015","90","","9100.5","0.3","150","","150","","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C82 H90.68 Ag2 N O11 S8 Ti2 -","- C80 H87.678 Ag2 O11 S8 Ti2 -","- C320 H350.712 Ag8 O44 S32 Ti8 -","4","0.5","","Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao","Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction","Chemical Science","2025","16","16","6845","6852","10.1039/D4SC07186G","","x-ray","1.54184","CuKα","","0.1023","0.0905","","","0.2424","0.2488","","","","","","1.075","","","","has coordinates,has disorder","300613","2025-07-06","14:20:49",""
"1573746","21.329","0.003","34.611","0.005","23.413","0.005","90","","116.73","0.005","90","","15437","5","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C265.64 H306.46 Ag4.51 N12.82 O42.76 S24 Ti12 -","- C265.64 H306.46 Ag4.506 N12.82 O42.758 S24 Ti12 -","- C531.28 H612.92 Ag9.012 N25.64 O85.516 S48 Ti24 -","2","0.5","","Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao","Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction","Chemical Science","2025","16","16","6845","6852","10.1039/D4SC07186G","","x-ray","1.34139","GaKα","","0.107","0.0724","","","0.1936","0.2185","","","","","","1.022","","","","has coordinates,has disorder","300613","2025-07-06","14:20:50",""
"1573747","33.1669","0.0003","21.7916","0.0002","35.921","0.0006","90","","91.759","0.001","90","","25950","0.5","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C200 H221.72 Na O36 S20 Ti8 -","- C200 H221.819 Na O36 S20 Ti8 -","- C800 H887.276 Na4 O144 S80 Ti32 -","4","1","","Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao","Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction","Chemical Science","2025","16","16","6845","6852","10.1039/D4SC07186G","","x-ray","1.54184","CuKα","","0.1465","0.098","","","0.291","0.3272","","","","","","1.047","","","","has coordinates,has disorder","300613","2025-07-06","14:20:59",""
"1573748","11.919","0.0003","12.4961","0.0003","13.0349","0.0003","61.504","0.001","89.234","0.001","89.801","0.001","1706.07","0.07","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C2.95 H5.9 In0.1 N0.29 O0.38 -","- C2.95238 H5.90476 In0.0952381 N0.285714 O0.380952 -","- C62 H124 In2 N6 O8 -","21","10.5","","Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew","Metal-ligand cooperativity enables zero-valent metal transfer.","Chemical science","2025","16","9","3888","3894","10.1039/d4sc07938h","","x-ray","1.54178","CuKα","","0.028","0.0272","","","0.105","0.1067","","","","","","1.012","","","","has coordinates,has disorder","298152","2025-03-04","19:28:07",""
"1573749","11.7623","0.0004","12.4407","0.0005","12.9344","0.0005","118.532","0.002","91.442","0.002","90.128","0.002","1662.09","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H62 Al N3 O4 -","- C31 H62 Al N3 O4 -","- C62 H124 Al2 N6 O8 -","2","1","","Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew","Metal-ligand cooperativity enables zero-valent metal transfer.","Chemical science","2025","16","9","3888","3894","10.1039/d4sc07938h","","","1.54178","CuKα","","0.055","0.0493","","","0.1465","0.1484","","","","","","1.116","","","","has coordinates","298152","2025-03-04","19:28:07",""
"1573750","11.7627","0.0004","12.4302","0.0005","12.9451","0.0005","118.425","0.001","91.211","0.001","90.139","0.001","1664.01","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H62 Ga N3 O4 -","- C31 H62 Ga N3 O4 -","- C62 H124 Ga2 N6 O8 -","2","1","","Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew","Metal-ligand cooperativity enables zero-valent metal transfer.","Chemical science","2025","16","9","3888","3894","10.1039/d4sc07938h","","","1.54178","CuKα","","0.032","0.0306","","","0.0791","0.08","","","","","","1.085","","","","has coordinates","298152","2025-03-04","19:28:07",""
"1573751","12.4969","0.001","9.4605","0.0005","18.0744","0.0011","90","","90","","90","","2136.9","0.2","100","2","100","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C18 H36 In2 N2 O2 -","- C18 H36 In2 N2 O2 -","- C72 H144 In8 N8 O8 -","4","0.25","","Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew","Metal-ligand cooperativity enables zero-valent metal transfer.","Chemical science","2025","16","9","3888","3894","10.1039/d4sc07938h","","","0.71073","MoKα","","0.0283","0.0203","","","0.0425","0.0443","","","","","","1.035","","","","has coordinates","301209","2025-07-10","11:18:53",""
"1573752","12.0657","0.0005","12.8632","0.0005","19.2485","0.0009","90","","94.979","0.002","90","","2976.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H56 Ga N3 O3 -","- C27 H56 Ga N3 O3 -","- C108 H224 Ga4 N12 O12 -","4","1","","Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew","Metal-ligand cooperativity enables zero-valent metal transfer.","Chemical science","2025","16","9","3888","3894","10.1039/d4sc07938h","","","0.71073","MoKα","","0.0567","0.0422","","","0.0831","0.0918","","","","","","1.045","","","","has coordinates","298152","2025-03-04","19:28:07",""
"1573753","13.61196","0.00017","6.63372","0.00006","5.94002","0.00005","90","","99.6952","0.001","90","","528.711","0.009","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ag-MPA","[Ag(SC2H4COOH]n","- C3 H5 Ag O2 S -","- C3 H5 Ag O2 S -","- C12 H20 Ag4 O8 S4 -","4","1","","Zhang, Shengrui; Yu, Zhongqi; Demessence, Aude; Guillou, Nathalie; Xu, Shujue; Liu, Han; Fu, Yuru; Zhang, Jingpei; Li, Minjie","Self-assembly processes of 2D Au(I)-S(CH<sub>2</sub>)<sub>2</sub>COOH lamellae.","Nanoscale","2025","17","9","5270","5279","10.1039/d4nr05118a","powder diffraction","","0.6887","X-raysynchrotron","","","","","","","","","0.016","2.9","","","","","","","has coordinates","298977","2025-04-05","03:33:10",""
"1573754","7.8169","0.0005","8.3525","0.0006","12.4587","0.0008","81.958","0.002","82.535","0.002","78.805","0.002","785.68","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 N O2 S -","- C20 H13 N O2 S -","- C40 H26 N2 O4 S2 -","2","1","","Patra, Debabrata; Mondal, Mohabul Alam; Saha, Amit","Disulfide-mediated ruthenium-catalyzed direct C-H thiolation in benzoxazinone systems: selective synthesis of <i>ortho</i>-thiolated 2-arylbenzoxazinones.","Organic & biomolecular chemistry","2025","23","9","2229","2234","10.1039/d4ob02023e","","","0.71073","MoKα","","0.0916","0.0666","","","0.1678","0.1812","","","","","","1.137","","","","has coordinates","299126","2025-04-05","04:10:21",""
"1573755","12.5383","0.0006","9.5231","0.0004","18.69","0.001","90","","97.104","0.002","90","","2214.52","0.18","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 N O2 -","- C27 H31 N O2 -","- C108 H124 N4 O8 -","4","1","","Meng, Huan; Jia, Jun-Song; Yang, Peng-Fei; Li, Yu-Long; Yu, Qiong; Shu, Wei","Ni-catalyzed regioselective and site-divergent reductive arylalkylations of allylic amines.","Chemical science","2025","16","10","4442","4449","10.1039/d4sc07728h","","x-ray","1.54178","CuKα","","0.091","0.0837","","","0.2105","0.2218","","","","","","1.053","","","","has coordinates","298795","2025-04-05","02:21:08",""
"1573756","13.8063","0.0006","17.9373","0.0008","9.9554","0.0005","90","","113.319","0.002","90","","2264.04","0.18","227","2","227","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H28 N2 O -","- C27 H28 N2 O -","- C108 H112 N8 O4 -","4","1","","Meng, Huan; Jia, Jun-Song; Yang, Peng-Fei; Li, Yu-Long; Yu, Qiong; Shu, Wei","Ni-catalyzed regioselective and site-divergent reductive arylalkylations of allylic amines.","Chemical science","2025","16","10","4442","4449","10.1039/d4sc07728h","","","1.54178","CuKα","","0.0606","0.0552","","","0.1474","0.152","","","","","","1.072","","","","has coordinates","298795","2025-04-05","02:21:09",""
"1573757","4.5931","0.0002","11.6051","0.0004","22.0202","0.0008","90","","90","","90","","1173.75","0.08","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H10 I3 N O Pb -","- C3 H10 I3 N O Pb -","- C12 H40 I12 N4 O4 Pb4 -","4","1","","Li, Hongxu; Cao, Rui; Tao, Min; Jiang, Jiawei; Xiao, Yin","Chiral perovskites with a unique 1D chain structure: impact of chiral ligand geometry on local inversion asymmetry and chiral-induced spin selectivity.","Chemical science","2025","16","9","4057","4065","10.1039/d4sc08434a","","x-ray","0.71073","MoKα","","0.0396","0.0367","","","0.0773","0.0793","","","","","","1.047","","","","has coordinates","298148","2025-03-04","19:27:16",""
"1573758","4.5899","0.0001","11.5987","0.0004","22.0076","0.0006","90","","90","","90","","1171.62","0.06","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H10 I3 N O Pb -","- C3 H10 I3 N O Pb -","- C12 H40 I12 N4 O4 Pb4 -","4","1","","Li, Hongxu; Cao, Rui; Tao, Min; Jiang, Jiawei; Xiao, Yin","Chiral perovskites with a unique 1D chain structure: impact of chiral ligand geometry on local inversion asymmetry and chiral-induced spin selectivity.","Chemical science","2025","16","9","4057","4065","10.1039/d4sc08434a","","x-ray","0.71073","MoKα","","0.0464","0.0433","","","0.0902","0.0925","","","","","","1.006","","","","has coordinates","298148","2025-03-04","19:27:16",""
"1573759","9.0752","0.0001","20.3258","0.0002","11.2289","0.0001","90","","111.107","0.001","90","","1932.33","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C84 H88 N8 O12 S4 -","4","1","","Lai, Ze-Min; Xie, Ying; Huang, Le-Le; Guo, Jing; Lu, Gui","Catalytic enantioselective synthesis of α-C chiral sulfones enabled by merging photoactive electron donor-acceptor complexes with nickel catalysis.","Chemical science","2025","16","10","4352","4359","10.1039/d4sc07264b","","x-ray","1.54184","CuKα","","0.0328","0.0317","","","0.0844","0.0851","","","","","","1.039","","","","has coordinates","298791","2025-04-05","02:20:20",""
"1573760","8.6576","0.0003","11.4823","0.0004","11.8769","0.0005","70.882","0.004","79.329","0.003","82.137","0.003","1092.57","0.08","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 I N2 O -","- C24 H25 I N2 O -","- C48 H50 I2 N4 O2 -","2","1","","Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.","Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.","Chemical science","2025","16","9","3938","3945","10.1039/d4sc05760k","","x-ray","1.54184","CuKα","","0.0373","0.0325","","","0.0817","0.0853","","","","","","1.086","","","","has coordinates,has disorder","298153","2025-03-04","19:28:26",""
"1573761","8.3156","0.0003","15.8552","0.0005","17.6204","0.0006","90","","101.442","0.003","90","","2277","0.14","110.2","0.2","110.2","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-(tert-butyl)phenyl)-N-(1-phenyl-2-(pyridin-2-yl)ethyl)furan-2-carboxamide","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C112 H112 N8 O8 -","4","1","","Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.","Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.","Chemical science","2025","16","9","3938","3945","10.1039/d4sc05760k","","x-ray","1.54184","CuKα","","0.0365","0.0312","","","0.0792","0.0819","","","","","","1.042","","","","has coordinates","298153","2025-03-04","19:28:27",""
"1573762","11.85289","0.00015","23.3855","0.0003","8.96547","0.0001","90","","104.164","0.0012","90","","2409.55","0.05","110","0.1","110","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-(tert-butyl)phenyl)-N-(1-phenyl-2-(pyridin-2-yl)ethyl)benzamide","","- C30 H30 N2 O -","- C30 H30 N2 O -","- C120 H120 N8 O4 -","4","1","","Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.","Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.","Chemical science","2025","16","9","3938","3945","10.1039/d4sc05760k","","x-ray","1.54184","CuKα","","0.0379","0.0349","","","0.089","0.0912","","","","","","1.036","","","","has coordinates","298153","2025-03-04","19:28:27",""
"1573763","8.7877","0.0001","13.2804","0.0002","10.4903","0.0001","90","","93.628","0.001","90","","1221.81","0.03","110","0.1","110","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(4-(benzyl(methyl)amino)butan-2-yl)-N-(2-(tert-butyl)phenyl)benzamide","","- C29 H36 N2 O -","- C29 H36 N2 O -","- C58 H72 N4 O2 -","2","1","","Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.","Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.","Chemical science","2025","16","9","3938","3945","10.1039/d4sc05760k","","x-ray","1.54184","CuKα","","0.0262","0.0253","","","0.0651","0.0658","","","","","","1.057","","","","has coordinates","298153","2025-03-04","19:28:27",""
"1573764","9.0247","0.0001","13.2322","0.0002","18.6064","0.0003","100.728","0.001","100.909","0.001","105.883","0.001","2030.78","0.05","109.95","0.1","109.95","0.1","","","","","","","","4","P -1","-P 1","2","","N-(2-(tert-butyl)phenyl)-N-(phenyl(pyridin-2-yl)methyl)propionamide","","- C25 H28 N2 O -","- C25 H28 N2 O -","- C100 H112 N8 O4 -","4","2","","Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.","Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.","Chemical science","2025","16","9","3938","3945","10.1039/d4sc05760k","","x-ray","1.54184","CuKα","","0.0442","0.0393","","","0.1064","0.1103","","","","","","1.079","","","","has coordinates","298153","2025-03-04","19:28:27",""
"1573765","9.0232","0.0001","10.8445","0.0001","12.5529","0.0002","95.795","0.001","99.084","0.001","96.98","0.001","1194.85","0.03","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O -","- C30 H30 N2 O -","- C60 H60 N4 O2 -","2","1","","Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.","Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.","Chemical science","2025","16","9","3938","3945","10.1039/d4sc05760k","","x-ray","1.54184","CuKα","","0.0398","0.036","","","0.094","0.0969","","","","","","1.073","","","","has coordinates","298153","2025-03-04","19:28:27",""
"1573766","10.5221","0.0002","12.1599","0.0002","18.0206","0.0003","73.817","0.001","78.768","0.001","78.192","0.001","2144.08","0.07","213","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 B10 O -","- C20 H24 B10 O -","- C80 H96 B40 O4 -","4","2","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0915","0.0728","","","0.1996","0.2188","","","","","","1.091","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573767","10.8412","0.0003","19.4475","0.0006","23.3896","0.0007","75.392","0.002","80.868","0.002","87.318","0.002","4711.3","0.2","213","","213","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H24 B10 -","- C26 H24 B10 -","- C208 H192 B80 -","8","4","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0822","0.0589","","","0.1545","0.1709","","","","","","1.03","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573768","9.9506","0.0003","13.287","0.0004","12.6971","0.0004","90","","101.393","0.001","90","","1645.65","0.09","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 B10 -","- C14 H18 B10 -","- C56 H72 B40 -","4","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0736","0.0621","","","0.1748","0.1837","","","","","","1.086","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573769","7.1385","0.0006","22.1234","0.0014","10.2306","0.0007","90","","95.391","0.005","90","","1608.6","0.2","221.42","","221.42","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 B10 O -","- C13 H18 B10 O -","- C52 H72 B40 O4 -","4","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.1245","0.0977","","","0.25","0.278","","","","","","1.069","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573770","11.0634","0.0002","14.0548","0.0002","20.6273","0.0003","90","","92.773","0.001","90","","3203.66","0.09","170","","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 B10 -","- C14 H18 B10 -","- C112 H144 B80 -","8","2","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0514","0.0407","","","0.1099","0.1151","","","","","","1.041","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573771","24.0114","0.0005","8.3879","0.0002","19.3844","0.0004","90","","99.3","0.001","90","","3852.8","0.15","170","","170","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 B10 -","- C19 H20 B10 -","- C152 H160 B80 -","8","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0759","0.0494","","","0.118","0.1336","","","","","","1.039","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573772","10.7343","0.0002","15.469","0.0003","13.0999","0.0002","90","","94.563","0.001","90","","2168.33","0.07","213","","213","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 B10 Si -","- C18 H28 B10 Si -","- C72 H112 B40 Si4 -","4","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0517","0.0409","","","0.1068","0.1134","","","","","","1.047","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573773","17.6926","0.0003","7.5803","0.0001","31.0434","0.0005","90","","90","","90","","4163.39","0.11","226","","226","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H24 B10 -","- C21 H24 B10 -","- C168 H192 B80 -","8","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0518","0.0414","","","0.1065","0.1137","","","","","","1.051","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573774","10.1324","0.0001","15.565","0.0002","16.148","0.0002","90","","90","","90","","2546.71","0.05","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 B10 O -","- C26 H28 B10 O -","- C104 H112 B40 O4 -","4","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0334","0.0312","","","0.0786","0.0801","","","","","","1.057","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573775","7.4914","0.0001","17.9215","0.0003","16.097","0.0003","90","","90.673","0.001","90","","2160.99","0.06","213","","213","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 B10 -","- C22 H20 B10 -","- C88 H80 B40 -","4","2","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0592","0.0444","","","0.0971","0.1047","","","","","","1.036","","","","has coordinates","298105","2025-03-04","19:07:10",""
"1573776","11.4881","0.0009","13.9932","0.0011","14.0464","0.0012","80.467","0.003","79.395","0.003","71.939","0.003","2095.8","0.3","170","","170","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 B10 -","- C22 H20 B10 -","- C88 H80 B40 -","4","2","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.095","0.0665","","","0.1787","0.2006","","","","","","1.033","","","","has coordinates","298105","2025-03-04","19:07:10",""
"1573777","15.0683","0.0008","18.877","0.0009","18.5211","0.001","90","","90.849","0.004","90","","5267.6","0.5","225","","225","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 B10 O -","- C28 H28 B10 O -","- C224 H224 B80 O8 -","8","2","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.1665","0.1093","","","0.2944","0.344","","","","","","1.08","","","","has coordinates","298105","2025-03-04","19:07:10",""
"1573778","8.0865","0.0004","11.5014","0.0005","12.6813","0.0007","63.784","0.002","86.101","0.002","85.115","0.002","1053.66","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H34 N2 O10 -","- C14 H34 N2 O10 -","- C28 H68 N4 O20 -","2","1","","Chandran, Aruna; Dominique, Nathaniel; Kaur, Gurkiran; Clark, Vincent; Nalaoh, Phattananawee; Aloisio, Mark D.; Ekowo, Lilian Chinenye; Jensen , Isabel M; Crudden, Cathleen; Arroyo-Currás, Netzahualcóyotl; Jenkins, David; Camden, Jon","Forming N-Heterocyclic Carbene Monolayers: Not All Deposition Methods are the Same","Nanoscale","2025","","","","","10.1039/D4NR04428B","","x-ray","1.54178","CuKα","","0.0405","0.038","","","0.1001","0.1018","","","","","","1.13","","","","has coordinates,has disorder","297466","2025-01-25","01:13:39",""
"1573779","15.8746","0.0012","19.1113","0.0014","17.1888","0.0014","90","","97.354","0.003","90","","5171.9","0.7","297","","297","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C64 H60 O2 -","- C64 H60 O2 -","- C256 H240 O8 -","4","0.5","","Xu, Xiang; Ma, Hao-Ran; Cui, Jian-Fang; Peng, Xiao-Shui; Wong, Henry N. C.","Regioselective late-stage functionalization of tetraphenylenes: rapid construction of double helical architectures and potential hole transport materials.","Chemical science","2025","16","10","4342","4351","10.1039/d4sc07803a","","","0.71073","MoKα","","0.1208","0.0668","","","0.1452","0.1765","","","","","","1.02","","","","has coordinates","298790","2025-04-05","02:20:12",""
"1573780","6.0084","0.0001","9.2515","0.0002","15.0308","0.0003","102.542","0.001","99.903","0.001","102.191","0.001","776.13","0.03","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C34 H36 N4 O4 S2 -","2","1","","Erchinger, Johannes E.; Lenz, Madina; Mukherjee, Poulami; Li, Yan-Bo; Suresh, Adhya; Daniliuc, Constantin G.; Gutierrez, Osvaldo; Glorius, Frank","Mechanistic insights into the regiodivergent insertion of bicyclo[1.1.0]butanes towards carbocycle-tethered N-heteroarenes.","Chemical science","2025","16","9","4006","4013","10.1039/d4sc08637f","","x-ray","1.54178","CuKα","","0.0377","0.0336","","","0.0848","0.0875","","","","","","1.058","","","","has coordinates","298155","2025-03-04","19:28:59",""
"1573781","5.7579","0.0001","16.2633","0.0004","16.7223","0.0004","90","","95.874","0.001","90","","1557.7","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C68 H72 N8 O8 S4 -","4","1","","Erchinger, Johannes E.; Lenz, Madina; Mukherjee, Poulami; Li, Yan-Bo; Suresh, Adhya; Daniliuc, Constantin G.; Gutierrez, Osvaldo; Glorius, Frank","Mechanistic insights into the regiodivergent insertion of bicyclo[1.1.0]butanes towards carbocycle-tethered N-heteroarenes.","Chemical science","2025","16","9","4006","4013","10.1039/d4sc08637f","","x-ray","1.54178","CuKα","","0.0392","0.0321","","","0.0753","0.0796","","","","","","1.039","","","","has coordinates,has disorder","298155","2025-03-04","19:28:59",""
"1573782","10.758","0.0004","7.7718","0.0003","38.4713","0.0017","90","","90","","90","","3216.5","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N3 O S2 -","- C17 H15 N3 O S2 -","- C136 H120 N24 O8 S16 -","8","1","","Erchinger, Johannes E.; Lenz, Madina; Mukherjee, Poulami; Li, Yan-Bo; Suresh, Adhya; Daniliuc, Constantin G.; Gutierrez, Osvaldo; Glorius, Frank","Mechanistic insights into the regiodivergent insertion of bicyclo[1.1.0]butanes towards carbocycle-tethered N-heteroarenes.","Chemical science","2025","16","9","4006","4013","10.1039/d4sc08637f","","x-ray","0.71073","MoKα","","0.0506","0.0373","","","0.097","0.1041","","","","","","1.062","","","","has coordinates","298155","2025-03-04","19:28:59",""
"1573783","8.9802","0.0003","15.5193","0.0007","21.2731","0.0008","90","","100.955","0.0012","90","","2910.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H41 Cl2 N2 P Si -","- C27 H41 Cl2 N2 P Si -","- C108 H164 Cl8 N8 P4 Si4 -","4","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai","A silicon analogue of a fused bicyclic borirene derivative.","Chemical science","2025","16","10","4512","4518","10.1039/d4sc05867d","","x-ray","0.71073","MoKα","","0.0824","0.0457","","","0.1","0.1149","","","","","","1.026","","","","has coordinates","298793","2025-04-05","02:20:50",""
"1573784","9.951","0.0004","24.2287","0.001","11.914","0.0005","90","","114.187","0.0013","90","","2620.29","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H80 B2 N4 P2 Si2 -","- C54 H80 B2 N4 P2 Si2 -","- C108 H160 B4 N8 P4 Si4 -","2","0.5","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai","A silicon analogue of a fused bicyclic borirene derivative.","Chemical science","2025","16","10","4512","4518","10.1039/d4sc05867d","","x-ray","0.71073","MoKα","","0.1254","0.0616","","","0.1079","0.1368","","","","","","1.02","","","","has coordinates","298793","2025-04-05","02:20:50",""
"1573785","15.8487","0.0006","10.8456","0.0004","16.0281","0.0005","90","","90","","90","","2755.05","0.17","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H40 Cl N2 P Si -","- C27 H40 Cl N2 P Si -","- C108 H160 Cl4 N8 P4 Si4 -","4","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai","A silicon analogue of a fused bicyclic borirene derivative.","Chemical science","2025","16","10","4512","4518","10.1039/d4sc05867d","","x-ray","0.71073","MoKα","","0.1263","0.0606","","","0.1204","0.1451","","","","","","1.028","","","","has coordinates","298793","2025-04-05","02:20:50",""
"1573786","10.922","0.002","12.04","0.002","13.307","0.002","105.263","0.005","106.255","0.005","95.783","0.006","1591.7","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H88 B2 Cl2.03 I1.97 N4 P2 Si2 -","- C61 H88 B2 Cl2.03 I1.97 N4 P2 Si2 -","- C61 H88 B2 Cl2.03 I1.97 N4 P2 Si2 -","1","0.5","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai","A silicon analogue of a fused bicyclic borirene derivative.","Chemical science","2025","16","10","4512","4518","10.1039/d4sc05867d","","x-ray","0.71073","MoKα","","0.1605","0.081","","","0.1677","0.211","","","","","","1.019","","","","has coordinates,has disorder","298793","2025-04-05","02:20:50",""
"1573787","9.1943","0.0008","20.6319","0.0016","17.5682","0.0014","90","","98.264","0.003","90","","3298","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 B Cl I3 N2 P Si -","- C27 H40 B Cl I3 N2 P Si -","- C108 H160 B4 Cl4 I12 N8 P4 Si4 -","4","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai","A silicon analogue of a fused bicyclic borirene derivative.","Chemical science","2025","16","10","4512","4518","10.1039/d4sc05867d","","x-ray","0.71073","MoKα","","0.0596","0.0477","","","0.1016","0.1068","","","","","","1.188","","","","has coordinates","298793","2025-04-05","02:20:50",""
"1573788","11.1528","0.0002","22.0855","0.0005","27.2759","0.0007","90","","90","","90","","6718.5","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 B Cl3 N2 O P Si -","- C31 H48 B Cl3 N2 O P Si -","- C248 H384 B8 Cl24 N16 O8 P8 Si8 -","8","2","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai","A silicon analogue of a fused bicyclic borirene derivative.","Chemical science","2025","16","10","4512","4518","10.1039/d4sc05867d","","x-ray","1.54178","CuKα","","0.0499","0.0402","","","0.0906","0.095","","","","","","1.029","","","","has coordinates,has disorder","298793","2025-04-05","02:20:50",""
"1573789","16.7465","0.0005","17.5624","0.0005","26.3391","0.0007","99.096","0.002","90.215","0.002","91.009","0.002","7647.8","0.4","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C124 H149 Au6 N20 P4 Pd3 S10 -","- C124 H149 Au6 N20 P4 Pd3 S10 -","- C248 H298 Au12 N40 P8 Pd6 S20 -","2","1","","Fu, Ziwei; Li, Chen; Tian, Ye; Alam, Fakhari; Hu, Daqiao; Shen, Honglei; Kang, Xi; Zhu, Manzhou","Heteroatom number-dependent cluster frameworks in structurally comparable Pd-Au nanoclusters.","Nanoscale","2025","17","8","4494","4501","10.1039/d4nr05222f","","x-ray","1.54186","CuKα","","0.0959","0.076","","","0.206","0.2261","","","","","","0.961","","","","has coordinates","298970","2025-04-05","03:31:04",""
"1573790","17.13","0.003","53.449","0.011","17.415","0.004","90","","90.68","0.03","90","","15944","6","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C254 H309.49 Au12 N40 P8 Pd5 S20 -","- C254 H309.4 Au12 N40 P8 Pd5 S20 -","- C508 H618.8 Au24 N80 P16 Pd10 S40 -","2","0.5","","Fu, Ziwei; Li, Chen; Tian, Ye; Alam, Fakhari; Hu, Daqiao; Shen, Honglei; Kang, Xi; Zhu, Manzhou","Heteroatom number-dependent cluster frameworks in structurally comparable Pd-Au nanoclusters.","Nanoscale","2025","17","8","4494","4501","10.1039/d4nr05222f","","","1.54178","CuKα","","0.0775","0.065","","","0.1759","0.1854","","","","","","1.052","","","","has coordinates,has disorder","298970","2025-04-05","03:31:04",""
"1573791","8","0.0002","21.9129","0.0007","14.2074","0.0005","90","","105.405","0.001","90","","2401.12","0.13","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N O2 Si -","- C30 H25 N O2 Si -","- C120 H100 N4 O8 Si4 -","4","1","","Cadart, Timothée; Feriancová, Lucia; Henke, Petr; Gyepes, Robert; Císařová, Ivana; Kalíková, Květa; Kotora, Martin","Synthesis of highly fluorescent helical quinolizinium salts by a Rh-catalyzed cyclotrimerization/C-H activation sequence.","Chemical communications (Cambridge, England)","2025","61","24","4662","4665","10.1039/d4cc06512c","","","0.71073","MoKα","","0.0431","0.0369","","","0.0905","0.0952","","","","","","1.046","","","","has coordinates","298748","2025-04-05","02:01:41",""
"1573792","15.799","0.0005","10.5487","0.0003","24.3174","0.0007","90","","90","","90","","4052.7","0.2","120","2","120","2","","","","","","","synthesized by the authors","7","P n a 21","P 2c -2n","33","","","","- C54 H36 B Cl2 F4 N O -","- C54 H36 B Cl2 F4 N O -","- C216 H144 B4 Cl8 F16 N4 O4 -","4","1","","Cadart, Timothée; Feriancová, Lucia; Henke, Petr; Gyepes, Robert; Císařová, Ivana; Kalíková, Květa; Kotora, Martin","Synthesis of highly fluorescent helical quinolizinium salts by a Rh-catalyzed cyclotrimerization/C-H activation sequence.","Chemical communications (Cambridge, England)","2025","61","24","4662","4665","10.1039/d4cc06512c","","","1.54178","CuKα","","0.0349","0.0348","","","0.0953","0.0956","","","","","","1.025","","","","has coordinates","298748","2025-04-05","02:01:42",""
"1573793","7.7962","0.0003","22.1366","0.0008","13.7791","0.0005","90","","105.129","0.001","90","","2295.6","0.15","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N O Si -","- C29 H23 N O Si -","- C116 H92 N4 O4 Si4 -","4","1","","Cadart, Timothée; Feriancová, Lucia; Henke, Petr; Gyepes, Robert; Císařová, Ivana; Kalíková, Květa; Kotora, Martin","Synthesis of highly fluorescent helical quinolizinium salts by a Rh-catalyzed cyclotrimerization/C-H activation sequence.","Chemical communications (Cambridge, England)","2025","61","24","4662","4665","10.1039/d4cc06512c","","","0.71073","MoKα","","0.0375","0.0359","","","0.0964","0.0979","","","","","","1.043","","","","has coordinates","298748","2025-04-05","02:01:42",""
"1573794","25.5585","0.0007","9.9428","0.0003","24.0807","0.0007","90","","91.408","0.002","90","","6117.6","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H55.93 B2 Br0.07 N2 O0 -","- C80 H55.931 B2 Br0.069 N2 -","- C320 H223.724 B8 Br0.276 N8 -","4","1","","Cadart, Timothée; Feriancová, Lucia; Henke, Petr; Gyepes, Robert; Císařová, Ivana; Kalíková, Květa; Kotora, Martin","Synthesis of highly fluorescent helical quinolizinium salts by a Rh-catalyzed cyclotrimerization/C-H activation sequence.","Chemical communications (Cambridge, England)","2025","61","24","4662","4665","10.1039/d4cc06512c","","","1.54178","CuKα","","0.1064","0.0582","","","0.1224","0.1413","","","","","","1.017","","","","has coordinates,has disorder","298748","2025-04-05","02:01:42",""
"1573795","12.7645","0.0006","18.0822","0.001","22.7774","0.0013","89.964","0.002","81.068","0.002","85.594","0.002","5177.8","0.5","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C44.66667 H33 N O2 Pt -","- C44.6667 H33 N O2 Pt -","- C268 H198 N6 O12 Pt6 -","6","3","","Cadart, Timothée; Feriancová, Lucia; Henke, Petr; Gyepes, Robert; Císařová, Ivana; Kalíková, Květa; Kotora, Martin","Synthesis of highly fluorescent helical quinolizinium salts by a Rh-catalyzed cyclotrimerization/C-H activation sequence.","Chemical communications (Cambridge, England)","2025","61","24","4662","4665","10.1039/d4cc06512c","","","0.71073","MoKα","","0.0893","0.052","","","0.1077","0.1268","","","","","","1.032","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573796","9.3805","0.0001","17.9125","0.0003","20.6371","0.0003","90","","90","","90","","3467.61","0.09","149.98","0.1","149.98","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C168 H168 N8 O16 -","8","1","","Hu, Yue-Hong; Chen, Yu-Ting; He, Zhi-Juan; Gan, Zhang-Yan; Zhang, Ling-Hui; Xi, Wen-Jie; Li, Baosheng; Zhang, Fu-Min","One-pot Nazarov cyclization/oxidative 1,2-carbon rearrangement/Ritter reaction to access 5-quaternary-4-amidocyclopent-2-enones and 2-quaternary-3-amidoindanones.","Chemical communications (Cambridge, England)","2025","61","18","3720","3723","10.1039/d4cc06597b","","x-ray","1.54184","CuKα","","0.0464","0.0393","","","0.0998","0.1042","","","","","","1.032","","","","has coordinates","298065","2025-03-04","18:45:29",""
"1573797","9.7449","0.0001","12.6197","0.0003","12.8104","0.0002","90","","91.761","0.002","90","","1574.65","0.05","301.46","0.1","301.46","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl N O2 -","- C18 H16 Cl N O2 -","- C72 H64 Cl4 N4 O8 -","4","2","","Hu, Yue-Hong; Chen, Yu-Ting; He, Zhi-Juan; Gan, Zhang-Yan; Zhang, Ling-Hui; Xi, Wen-Jie; Li, Baosheng; Zhang, Fu-Min","One-pot Nazarov cyclization/oxidative 1,2-carbon rearrangement/Ritter reaction to access 5-quaternary-4-amidocyclopent-2-enones and 2-quaternary-3-amidoindanones.","Chemical communications (Cambridge, England)","2025","61","18","3720","3723","10.1039/d4cc06597b","","x-ray","1.54184","CuKα","","0.0513","0.0449","","","0.1198","0.1306","","","","","","1.097","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573798","9.7705","0.0002","13.1781","0.0003","14.487","0.0004","90","","103.85","0.002","90","","1811.07","0.08","271.8","0.9","271.8","0.9","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C21 H19 F2 N O2 -","- C21 H19 F2 N O2 -","- C84 H76 F8 N4 O8 -","4","1","","Hu, Yue-Hong; Chen, Yu-Ting; He, Zhi-Juan; Gan, Zhang-Yan; Zhang, Ling-Hui; Xi, Wen-Jie; Li, Baosheng; Zhang, Fu-Min","One-pot Nazarov cyclization/oxidative 1,2-carbon rearrangement/Ritter reaction to access 5-quaternary-4-amidocyclopent-2-enones and 2-quaternary-3-amidoindanones.","Chemical communications (Cambridge, England)","2025","61","18","3720","3723","10.1039/d4cc06597b","","x-ray","1.54184","CuKα","","0.0406","0.0372","","","0.1048","0.1082","","","","","","1.103","","","","has coordinates","298065","2025-03-04","18:45:29",""
"1573799","8.35635","0.00009","20.16774","0.00019","9.47069","0.0001","90","","111.53","0.0012","90","","1484.72","0.03","271.7","0.3","271.7","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F N O2 -","- C18 H16 F N O2 -","- C72 H64 F4 N4 O8 -","4","1","","Hu, Yue-Hong; Chen, Yu-Ting; He, Zhi-Juan; Gan, Zhang-Yan; Zhang, Ling-Hui; Xi, Wen-Jie; Li, Baosheng; Zhang, Fu-Min","One-pot Nazarov cyclization/oxidative 1,2-carbon rearrangement/Ritter reaction to access 5-quaternary-4-amidocyclopent-2-enones and 2-quaternary-3-amidoindanones.","Chemical communications (Cambridge, England)","2025","61","18","3720","3723","10.1039/d4cc06597b","","x-ray","1.54184","CuKα","","0.0467","0.0451","","","0.1199","0.1213","","","","","","1.084","","","","has coordinates","298065","2025-03-04","18:45:29",""
"1573800","16.9874","0.0002","9.81932","0.00013","24.6758","0.0003","90","","109.044","0.0014","90","","3890.77","0.09","149.99","0.1","149.99","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C21 H19 Br2 N O2 -","- C21 H19 Br2 N O2 -","- C168 H152 Br16 N8 O16 -","8","1","","Hu, Yue-Hong; Chen, Yu-Ting; He, Zhi-Juan; Gan, Zhang-Yan; Zhang, Ling-Hui; Xi, Wen-Jie; Li, Baosheng; Zhang, Fu-Min","One-pot Nazarov cyclization/oxidative 1,2-carbon rearrangement/Ritter reaction to access 5-quaternary-4-amidocyclopent-2-enones and 2-quaternary-3-amidoindanones.","Chemical communications (Cambridge, England)","2025","61","18","3720","3723","10.1039/d4cc06597b","","x-ray","1.54184","CuKα","","0.0414","0.0394","","","0.1026","0.1044","","","","","","1.038","","","","has coordinates","298065","2025-03-04","18:45:29",""
"1573801","8.421","0.0017","13.116","0.003","15.113","0.003","90","","90","","90","","1669.2","0.6","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 -","- C24 H20 -","- C96 H80 -","4","1","","Martinez-Fernandez, L; Wu, Peicong; Bao, Lin-Tao; Wang, Xueli; Zhang, Rui-Hua; Wang, Wei; Yang, Hai-Bo; Chen, Jinquan; Improta, R.","On the nature of the triplet electronic states of naphthalene dimers.","Chemical science","2025","16","10","4469","4479","10.1039/d4sc07982e","","","0.71073","MoKα","","0.0589","0.0573","","","0.1521","0.1544","","","","","","1.077","","","","has coordinates","298792","2025-04-05","02:20:36",""
"1573802","8.4113","0.0002","11.9596","0.0002","8.1538","0.0002","90","","105.735","0.003","90","","789.5","0.03","292.63","0.1","292.63","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 -","- C24 H20 -","- C48 H40 -","2","0.5","","Martinez-Fernandez, L; Wu, Peicong; Bao, Lin-Tao; Wang, Xueli; Zhang, Rui-Hua; Wang, Wei; Yang, Hai-Bo; Chen, Jinquan; Improta, R.","On the nature of the triplet electronic states of naphthalene dimers.","Chemical science","2025","16","10","4469","4479","10.1039/d4sc07982e","","x-ray","1.54184","CuKα","","0.0429","0.0388","","","0.0966","0.0988","","","","","","1.059","","","","has coordinates","298792","2025-04-05","02:20:36",""
"1573803","8.4807","0.0003","8.4592","0.0003","11.4471","0.0004","90","","96.815","0.003","90","","815.41","0.05","173","0.1","173","0.1","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C24 H20 -","- C24 H20 -","- C48 H40 -","2","1","","Martinez-Fernandez, L; Wu, Peicong; Bao, Lin-Tao; Wang, Xueli; Zhang, Rui-Hua; Wang, Wei; Yang, Hai-Bo; Chen, Jinquan; Improta, R.","On the nature of the triplet electronic states of naphthalene dimers.","Chemical science","2025","16","10","4469","4479","10.1039/d4sc07982e","","x-ray","1.54184","CuKα","","0.1073","0.1071","","","0.2984","0.2985","","","","","","1.123","","","","has coordinates","298792","2025-04-05","02:20:36",""
"1573804","8.9248","0.0003","8.9248","0.0003","20.831","0.002","90","","90","","90","","1659.23","0.18","293","1","293","1","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","","- C24 H20 -","- C24 H20 -","- C96 H80 -","4","0.5","","Martinez-Fernandez, L; Wu, Peicong; Bao, Lin-Tao; Wang, Xueli; Zhang, Rui-Hua; Wang, Wei; Yang, Hai-Bo; Chen, Jinquan; Improta, R.","On the nature of the triplet electronic states of naphthalene dimers.","Chemical science","2025","16","10","4469","4479","10.1039/d4sc07982e","","x-ray","1.54178","CuKα","","0.0739","0.0547","","","0.1646","0.1878","","","","","","1.076","","","","has coordinates,has disorder","298792","2025-04-05","02:20:36",""
"1573805","15.7313","0.0006","13.606","0.0005","24.1199","0.001","90","","108.505","0.001","90","","4895.7","0.3","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Br N3 O3 -","- C30 H20 Br N3 O3 -","- C240 H160 Br8 N24 O24 -","8","2","","Luo, Wenjun; Zheng, Xinghua; Lin, Hehua; Fu, Li; Long, Lipeng; Yu, Daohong; Chen, Zhengwang; Yang, Min; Wang, Zhong-Xia","Discovery of intermolecular cascade annulation for dihydrobenzo[<i>b</i>][1,8]naphthyridine-ylidene-pyrrolidinetriones.","Chemical science","2025","16","9","4119","4126","10.1039/d4sc07999j","","","1.34139","GaKα","","0.0445","0.0366","","","0.0896","0.0943","","","","","","1.069","","","","has coordinates","298150","2025-03-04","19:27:38",""
"1573806","13.3952","0.0016","7.8096","0.0009","30.55","0.004","90","","95.775","0.004","90","","3179.7","0.7","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69.07 H62 Cl6 O4 P2 S2 -","- C67.98 H71.94 Cl6 O4 P2 S2 -","- C135.96 H143.88 Cl12 O8 P4 S4 -","2","0.5","","Dadgaryeganeh, Reza; LeBlanc, Jesse; Pradhan, Ekadashi; Miao, Dandan; Hussein, Amaar; Hunter, Howard N.; Zeng, Tao; Romero-Nieto, Carlos; Baumgartner, Thomas","From flat to twisted - multifunctional phosphacyclic nanocarbons based on Vat Orange 3.","Chemical science","2025","16","8","3680","3692","10.1039/d4sc07106a","","","0.71073","MoKα","","0.1722","0.0997","","","0.1631","0.1927","","","","","","1.065","","","","has coordinates,has disorder","298108","2025-03-04","19:08:34",""
"1573807","8.2286","0.0003","11.7231","0.0004","17.5716","0.0006","92.692","0.001","93.084","0.001","108.449","0.001","1601.93","0.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H76 Cl6 O4 P2 -","- C72 H76 Cl6 O4 P2 -","- C72 H76 Cl6 O4 P2 -","1","0.5","","Dadgaryeganeh, Reza; LeBlanc, Jesse; Pradhan, Ekadashi; Miao, Dandan; Hussein, Amaar; Hunter, Howard N.; Zeng, Tao; Romero-Nieto, Carlos; Baumgartner, Thomas","From flat to twisted - multifunctional phosphacyclic nanocarbons based on Vat Orange 3.","Chemical science","2025","16","8","3680","3692","10.1039/d4sc07106a","","","0.71073","MoKα","","0.0594","0.0436","","","0.0961","0.1061","","","","","","1.025","","","","has coordinates,has disorder","298108","2025-03-04","19:08:35",""
"1573808","22.2953","0.001","32.7948","0.001","8.1542","0.0003","90","","101.91","0.002","90","","5833.8","0.4","173","2","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H80.01 O7 P2 -","- C70 H80.0066 O7 P2 -","- C280 H320.026 O28 P8 -","4","0.5","","Dadgaryeganeh, Reza; LeBlanc, Jesse; Pradhan, Ekadashi; Miao, Dandan; Hussein, Amaar; Hunter, Howard N.; Zeng, Tao; Romero-Nieto, Carlos; Baumgartner, Thomas","From flat to twisted - multifunctional phosphacyclic nanocarbons based on Vat Orange 3.","Chemical science","2025","16","8","3680","3692","10.1039/d4sc07106a","","","0.71073","MoKα","","0.1064","0.089","","","0.1585","0.1653","","","","","","1.228","","","","has coordinates,has disorder","298108","2025-03-04","19:08:35",""
"1573809","18.8221","0.0006","34.2599","0.0011","8.6524","0.0003","90","","90","","90","","5579.4","0.3","173","2","173","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C35 H37 O2 P -","- C35 H37 O2 P -","- C280 H296 O16 P8 -","8","1","","Dadgaryeganeh, Reza; LeBlanc, Jesse; Pradhan, Ekadashi; Miao, Dandan; Hussein, Amaar; Hunter, Howard N.; Zeng, Tao; Romero-Nieto, Carlos; Baumgartner, Thomas","From flat to twisted - multifunctional phosphacyclic nanocarbons based on Vat Orange 3.","Chemical science","2025","16","8","3680","3692","10.1039/d4sc07106a","","","0.71073","MoKα","","0.1379","0.1185","","","0.2102","0.2181","","","","","","1.26","","","","has coordinates","298108","2025-03-04","19:08:35",""
"1573810","58.8812","0.0019","8.3047","0.0003","34.7288","0.0011","90","","97.344","0.001","90","","16842.7","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H71.53 O4 P2 -","- C70 H71.5333 O4 P2 -","- C840 H858.4 O48 P24 -","12","1.5","","Dadgaryeganeh, Reza; LeBlanc, Jesse; Pradhan, Ekadashi; Miao, Dandan; Hussein, Amaar; Hunter, Howard N.; Zeng, Tao; Romero-Nieto, Carlos; Baumgartner, Thomas","From flat to twisted - multifunctional phosphacyclic nanocarbons based on Vat Orange 3.","Chemical science","2025","16","8","3680","3692","10.1039/d4sc07106a","","","0.71073","MoKα","","0.0915","0.0774","","","0.1799","0.1883","","","","","","1.136","","","","has coordinates,has disorder","298108","2025-03-04","19:08:35",""
"1573811","10.9278","0.0002","9.492","0.0002","19.0268","0.0004","90","","97.401","0.002","90","","1957.14","0.07","293","","293","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C39 H29 In N2 O6 S6 -","- C39 H29 In N2 O6 S6 -","- C78 H58 In2 N4 O12 S12 -","2","1","","Pratap, Rajesh; Sahani, Raj Kumar; Maddeshiya, Tarkeshwar; Tripathi, Himanshu Shekhar; Pandey, Mrituanjay D.; Bhattacharya, Subrato","Synthesis and characterization of In(III) <i>S</i>-thiobenzoylthioglycolate complexes and their catalytic applications in CO<sub>2</sub> fixation and multicomponent synthetic reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4518","4529","10.1039/d4dt03382e","","x-ray","0.71073","MoKα","","0.0533","0.042","","","0.0604","0.0663","","","","","","1.037","","","","has coordinates","300976","2025-07-06","17:09:33",""
"1573812","15.735","0.0003","7.9458","0.0001","14.7384","0.0003","90","","110.678","0.002","90","","1723.99","0.06","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 In N2 Na O5 S2 -","- C14 H14 In N2 Na O5 S2 -","- C56 H56 In4 N8 Na4 O20 S8 -","4","1","","Pratap, Rajesh; Sahani, Raj Kumar; Maddeshiya, Tarkeshwar; Tripathi, Himanshu Shekhar; Pandey, Mrituanjay D.; Bhattacharya, Subrato","Synthesis and characterization of In(III) <i>S</i>-thiobenzoylthioglycolate complexes and their catalytic applications in CO<sub>2</sub> fixation and multicomponent synthetic reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4518","4529","10.1039/d4dt03382e","","","0.71073","MoKα","","0.0333","0.0273","","","0.0621","0.0666","","","","","","1.065","","","","has coordinates","300976","2025-07-06","17:09:33",""
"1573813","28.2437","0.0006","17.5038","0.0003","14.8073","0.0003","90","","90","","90","","7320.3","0.2","99.98","0.18","99.98","0.18","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C37 H29 In N2 O6 S6 -","- C37 H29 In N2 O6 S6 -","- C296 H232 In8 N16 O48 S48 -","8","2","","Pratap, Rajesh; Sahani, Raj Kumar; Maddeshiya, Tarkeshwar; Tripathi, Himanshu Shekhar; Pandey, Mrituanjay D.; Bhattacharya, Subrato","Synthesis and characterization of In(III) <i>S</i>-thiobenzoylthioglycolate complexes and their catalytic applications in CO<sub>2</sub> fixation and multicomponent synthetic reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4518","4529","10.1039/d4dt03382e","","x-ray","0.71073","MoKα","","0.0978","0.057","","","0.1231","0.1436","","","","","","1.042","","","","has coordinates","300976","2025-07-06","17:09:33",""
"1573816","16.1964","0.0008","18.6192","0.0011","18.8234","0.0011","83.984","0.005","80.702","0.004","73.139","0.005","5351","0.5","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C109 H108 Cl2 N8 Pd6 Si2 -","- C109 H108 Cl2 N8 Pd6 Si2 -","- C218 H216 Cl4 N16 Pd12 Si4 -","2","1","","Mitomo, Taiga; Wada, Yoshimasa; Suda, Tetsuro; Tamura, Atsushi; Yagi, Shunsuke; Kikkawa, Soichi; Yamazoe, Seiji; Sunada, Yusuke","A coordination polymer with a silylene-supported Pd<sub>6</sub> core as an efficient heterogeneous hydrogenation catalyst.","Chemical science","2025","16","10","4450","4455","10.1039/d4sc05663a","","","0.71073","MoKα","","0.274","0.0869","","","0.1433","0.2086","","","","","","0.942","","","","has coordinates","298794","2025-04-05","02:20:59",""
"1573817","14.4294","0.0003","24.0473","0.0004","18.0186","0.0004","90","","92.752","0.002","90","","6245","0.2","99.96","0.18","99.96","0.18","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C130 H100 Cl4 Cu4 F12 N8 P6 Pt2 -","- C130 H100 Cl4 Cu4 F12 N8 P6 Pt2 -","- C260 H200 Cl8 Cu8 F24 N16 P12 Pt4 -","2","0.5","","Hu, Xue-Ning; Zhong, Xu-Hang; Zhong, Rui-Ru; Zhang, Lin-Mei; Hao, De-Bo; Xu, Qian; Wei, Hui-Zhi; Zhou, Rui; Wei, Jianyu; Liu, Kuan-Guan; Yuan, Shang-Fu; Li, Dong-Sheng; Wu, Tao","Significantly enhanced NIR emission of solid-state clusters based on Cu<sub>4</sub>Pt<sub>2</sub> triggered with volatile organic compounds.","Nanoscale","2025","17","10","5829","5837","10.1039/d4nr04371e","","x-ray","1.54184","CuKα","","0.122","0.1151","","","0.2978","0.3013","","","","","","1.191","","","","has coordinates","298968","2025-04-05","03:30:06",""
"1573821","6.196","0.0003","10.6217","0.0006","11.347","0.0006","82.619","0.004","74.785","0.005","73.76","0.005","690.62","0.07","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 O3 S2 -","- C15 H14 O3 S2 -","- C30 H28 O6 S4 -","2","1","","Cheng, Shihao; Ni, Xiao; Cui, Guanyou; Dong, Chenhu; Ma, Yujie; Li, Jinlong; Bao, Xiaofeng; Zhao, Yu","Diastereoselective thia-[3 + 2] cyclization of acetylpyranuloses and β-oxodithioesters.","Organic & biomolecular chemistry","2025","23","10","2362","2364","10.1039/d5ob00022j","","x-ray","1.54184","CuKα","","0.0586","0.0574","","","0.1588","0.1612","","","","","","1.071","","","","has coordinates","299057","2025-04-05","03:55:27",""
"1573822","28.4509","0.0012","9.183","0.0003","11.7236","0.0005","90","","115.082","0.005","90","","2774.1","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 N2 -","- C36 H36 N2 -","- C144 H144 N8 -","4","0.5","","Zhang, Wentao; Wang, Luyao; Zhou, Yufeng; Chen, Zhifang; Xiong, Heng-Ying; Zhang, Guangwu","Synthesis of the 3,3'-bipyrrole scaffold from diyne.","Organic & biomolecular chemistry","2025","23","10","2463","2466","10.1039/d4ob02101k","","x-ray","1.54184","CuKα","","0.0599","0.0503","","","0.1408","0.1536","","","","","","1.04","","","","has coordinates","299059","2025-04-05","03:55:51",""
"1573823","26.6157","0.0014","9.4617","0.0005","11.378","0.0004","90","","98.543","0.004","90","","2833.5","0.2","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C36 H36 N2 -","- C36 H36 N2 -","- C144 H144 N8 -","4","1","","Zhang, Wentao; Wang, Luyao; Zhou, Yufeng; Chen, Zhifang; Xiong, Heng-Ying; Zhang, Guangwu","Synthesis of the 3,3'-bipyrrole scaffold from diyne.","Organic & biomolecular chemistry","2025","23","10","2463","2466","10.1039/d4ob02101k","","x-ray","1.54184","CuKα","","0.0565","0.0478","","","0.1274","0.1393","","","","","","1.05","","","","has coordinates","299059","2025-04-05","03:55:52",""
"1573824","16.6526","0.0004","5.8534","0.0001","18.1057","0.0005","90","","109.461","0.003","90","","1664.01","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 N2 -","- C46 H36 N2 -","- C92 H72 N4 -","2","0.5","","Zhang, Wentao; Wang, Luyao; Zhou, Yufeng; Chen, Zhifang; Xiong, Heng-Ying; Zhang, Guangwu","Synthesis of the 3,3'-bipyrrole scaffold from diyne.","Organic & biomolecular chemistry","2025","23","10","2463","2466","10.1039/d4ob02101k","","x-ray","1.54184","CuKα","","0.0691","0.0606","","","0.1793","0.1901","","","","","","1.069","","","","has coordinates,has disorder","299059","2025-04-05","03:55:52",""
"1573825","26.2762","0.0011","10.1154","0.0003","12.3299","0.0005","90","","116.268","0.005","90","","2938.8","0.2","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 N2 O2 -","- C38 H32 N2 O2 -","- C152 H128 N8 O8 -","4","0.5","","Zhang, Wentao; Wang, Luyao; Zhou, Yufeng; Chen, Zhifang; Xiong, Heng-Ying; Zhang, Guangwu","Synthesis of the 3,3'-bipyrrole scaffold from diyne.","Organic & biomolecular chemistry","2025","23","10","2463","2466","10.1039/d4ob02101k","","x-ray","0.71073","MoKα","","0.0486","0.0384","","","0.0925","0.0987","","","","","","1.081","","","","has coordinates","299059","2025-04-05","03:55:52",""
"1573826","9.1461","0.0002","9.5974","0.0002","20.7405","0.0005","97.081","0.001","102.662","0.001","92.41","0.001","1758.26","0.07","235","","","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H47 Br3 N2 Ni2 O3 -","- C32 H47 Br3 N2 Ni2 O3 -","- C64 H94 Br6 N4 Ni4 O6 -","2","1","","Lu, Yuan; Ji, Gang; Yu, Shuyang; Ning, Xiaoshan; Sun, Xiu-Li; Gao, Yanshan; Wang, Xiaoyan; Tang, Yong","Binuclear Ni catalyzed ethylene copolymerization with short chain alkenol monomers","Polymer Chemistry","2025","16","10","1146","1154","10.1039/D4PY01480D","","","1.34139","GaKα","","0.0492","0.0463","","","0.1273","0.1302","","","","","","1.079","","","","has coordinates","299150","2025-04-05","04:24:16",""
"1573827","14.9658","0.0009","19.0661","0.0009","16.9642","0.0009","90","","98.546","0.002","90","","4786.8","0.4","296","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H61 Br3 N2 Ni2 O3 -","- C39 H61 Br3 N2 Ni2 O3 -","- C156 H244 Br12 N8 Ni8 O12 -","4","1","","Lu, Yuan; Ji, Gang; Yu, Shuyang; Ning, Xiaoshan; Sun, Xiu-Li; Gao, Yanshan; Wang, Xiaoyan; Tang, Yong","Binuclear Ni catalyzed ethylene copolymerization with short chain alkenol monomers","Polymer Chemistry","2025","16","10","1146","1154","10.1039/D4PY01480D","","","0.71073","MoKα","","0.0793","0.0453","","","0.1112","0.1222","","","","","","0.975","","","","has coordinates","299150","2025-04-05","04:24:17",""
"1573833","11.9665","0.0015","10.5773","0.0013","19.8113","0.0019","90","","100.165","0.008","90","","2468.2","0.5","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 F6 N2 O6 P -","- C18 H33 F6 N2 O6 P -","- C72 H132 F24 N8 O24 P4 -","4","1","","Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi","Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.","Chemical science","2025","16","9","4101","4108","10.1039/d4sc06631f","","","1.54184","CuKα","","0.1641","0.1246","","","0.2377","0.2549","","","","","","0.999","","","","has coordinates","298154","2025-03-04","19:28:47",""
"1573834","7.8459","0.0016","9.828","0.002","10.5087","0.0015","90","","92.439","0.011","90","","809.6","0.3","303","","303","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 F6 N4 P -","- C12 H18 F6 N4 P -","- C24 H36 F12 N8 P2 -","2","0.5","","Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi","Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.","Chemical science","2025","16","9","4101","4108","10.1039/d4sc06631f","","","1.54184","CuKα","","0.1085","0.0805","","","0.2289","0.2562","","","","","","1.125","","","","has coordinates","298154","2025-03-04","19:28:48",""
"1573835","12.022","0.0015","10.629","0.002","19.921","0.004","90","","100.318","0.013","90","","2504.4","0.8","343","","343","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 F6 N2 O6 P -","- C18 H33 F6 N2 O6 P -","- C72 H132 F24 N8 O24 P4 -","4","1","","Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi","Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.","Chemical science","2025","16","9","4101","4108","10.1039/d4sc06631f","","","1.54184","CuKα","","0.2332","0.1255","","","0.2452","0.2979","","","","","","1.043","","","","has coordinates","298154","2025-03-04","19:28:48",""
"1573836","11.994","0.005","10.463","0.003","19.815","0.009","90","","100.89","0.02","90","","2441.9","1.7","403","","403","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 F6 N2 O6 P -","- C18 H33 F6 N2 O6 P -","- C72 H132 F24 N8 O24 P4 -","4","1","","Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi","Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.","Chemical science","2025","16","9","4101","4108","10.1039/d4sc06631f","","","1.54184","CuKα","","0.2635","0.1381","","","0.2825","0.3326","","","","","","0.998","","","","has coordinates","298154","2025-03-04","19:28:48",""
"1573837","12.137","0.003","10.6827","0.0016","20.015","0.006","90","","100.751","0.015","90","","2549.5","1.1","423","","423","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 F6 N2 O6 P -","- C18 H33 F6 N2 O6 P -","- C72 H132 F24 N8 O24 P4 -","4","1","","Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi","Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.","Chemical science","2025","16","9","4101","4108","10.1039/d4sc06631f","","","1.54184","CuKα","","0.297","0.1446","","","0.3005","0.3477","","","","","","1.173","","","","has coordinates","298154","2025-03-04","19:28:48",""
"1573838","11.985","0.005","10.522","0.003","19.813","0.007","90","","100.634","0.018","90","","2455.6","1.5","383","","383","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 F6 N2 O6 P -","- C18 H33 F6 N2 O6 P -","- C72 H132 F24 N8 O24 P4 -","4","1","","Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi","Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.","Chemical science","2025","16","9","4101","4108","10.1039/d4sc06631f","","","1.54184","CuKα","","0.1736","0.1179","","","0.2357","0.2606","","","","","","0.986","","","","has coordinates","298154","2025-03-04","19:28:48",""
"1573839","13.6682","0.00008","13.6682","0.00008","13.6682","0.00008","90","","90","","90","","2553.49","0.03","100","0.1","100","0.1","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","NU-2500","","- C27 H9 O18 Th2 -","- C27 H9 O18 Th2 -","- C108 H36 O72 Th8 -","4","0.0208333","","Gaidimas, Madeleine A.; Smoljan, Courtney S.; Ye, Zi-Ming; Stern, Charlotte L.; Malliakas, Christos D.; Kirlikovali, Kent O.; Farha, Omar K.","Thorium metal-organic framework crystallization for efficient recovery from rare earth element mixtures.","Chemical science","2025","16","9","3895","3903","10.1039/d4sc07652d","","x-ray","1.54184","CuKα","","0.0399","0.0394","","","0.0965","0.0971","","","","","","1.175","","","","has coordinates,has disorder","298149","2025-03-04","19:27:27",""
"1573840","14.617","0.0009","30.092","0.012","3.6052","0.0003","90","","90","","90","","1585.8","0.7","273.15","","273.15","","","","","","","","","3","F d d 2","F 2 -2d","43","Furil, phase I","Di(furan-2-yl)ethanedione","","- C10 H6 O4 -","- C10 H6 O4 -","- C80 H48 O32 -","8","0.5","","Dunning, Samuel G.; Hari, Anirudh; Zhu, Li; Chen, Bo; Cody, George D.; Romi, Sebastiano; Zhang, Dongzhou; Strobel, Timothy A.","Double-core nanothread formation from α-furil <i>via</i> a pressure-induced planarization pathway.","Chemical science","2025","16","9","4144","4151","10.1039/d4sc07412b","","","0.434","Synchrotron","","0.2018","0.1158","","","0.2565","0.2823","","","","","","1.365","","","","has coordinates","298147","2025-03-04","19:27:04",""
"1573841","14.586","0.005","7.0535","0.0014","3.4512","0.0006","90","","93.132","0.015","90","","354.54","0.15","273.15","","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Furil, phase II","Di(furan-2-yl)ethanedione","","- C10 H6 O4 -","- C10 H6 O4 -","- C20 H12 O8 -","2","0.5","","Dunning, Samuel G.; Hari, Anirudh; Zhu, Li; Chen, Bo; Cody, George D.; Romi, Sebastiano; Zhang, Dongzhou; Strobel, Timothy A.","Double-core nanothread formation from α-furil <i>via</i> a pressure-induced planarization pathway.","Chemical science","2025","16","9","4144","4151","10.1039/d4sc07412b","","","0.434","Synchrotron","","0.2663","0.155","","","0.3424","0.388","","","","","","1.13","","","","has coordinates","298147","2025-03-04","19:27:05",""
"1573842","3.313","0.003","6.957","0.007","14.228","0.016","90","","94.48","0.03","90","","326.9","0.6","273","2","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Furil, phase II","Di(furan-2-yl)ethanedione","","- C10 H6 O4 -","- C10 H6 O4 -","- C20 H12 O8 -","2","0.5","","Dunning, Samuel G.; Hari, Anirudh; Zhu, Li; Chen, Bo; Cody, George D.; Romi, Sebastiano; Zhang, Dongzhou; Strobel, Timothy A.","Double-core nanothread formation from α-furil <i>via</i> a pressure-induced planarization pathway.","Chemical science","2025","16","9","4144","4151","10.1039/d4sc07412b","","","0.434","synchrotron","","0.5162","0.4104","","","0.6897","0.7248","","","","","","2.297","","","","has coordinates","301209","2025-07-10","11:18:53",""
"1573843","9.2209","0.0007","8.3046","0.0006","19.3943","0.0015","90","","90","","90","","1485.14","0.19","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Hg3 N2 O16 Te4 -","- Hg3 N2 O16 Te4 -","- Hg12 N8 O64 Te16 -","4","0.5","","Tang, Ru-Ling; Lv, Yi-Lei; Ma, Liang; Miao, Bing-Wei; Liu, Wenlong; Guo, Sheng-Ping","""All-four-in-one"": a novel mercury tellurite-nitrate Hg<sub>3</sub>(TeO<sub>3</sub>)(Te<sub>3</sub>O<sub>7</sub>)(NO<sub>3</sub>)<sub>2</sub> exhibiting exceptional optical anisotropy.","Chemical science","2025","16","11","4749","4754","10.1039/d4sc08166h","","","0.71073","MoKα","","0.0413","0.0318","","","0.0561","0.0586","","","","","","1.12","","","","has coordinates,has disorder","298813","2025-04-05","02:26:03",""
"1573844","7.2202","0.0005","13.9741","0.0008","9.0021","0.0006","90","","111.683","0.002","90","","844.01","0.1","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O7 -","- C18 H20 O7 -","- C36 H40 O14 -","2","1","","Paciorek, Jan; Steinborn, Christian; Gordiy, Igor; Plangger, Immanuel; Schmutzler, Dirk; Barber, David M.; Wurst, Klaus; Riniker, Sereina; Magauer, Thomas","Asymmetric total synthesis of glauconic and glaucanic acid.","Chemical science","2025","16","9","4159","4166","10.1039/d4sc08332f","","","0.71073","MoKα","","0.0274","0.0255","","","0.0657","0.0669","","","","","","1.044","","","","has coordinates","298146","2025-03-04","19:26:55",""
"1573846","12.3872","0.0019","15.6834","0.0019","16.433","0.003","90.934","0.007","111.881","0.007","110.488","0.005","2735.3","0.8","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H68 Br Cu N4 -","- C57 H68 Br Cu N4 -","- C114 H136 Br2 Cu2 N8 -","2","1","","Zhou, Jiajing; Zhang, Zhiqiang; Cao, Yan; Xie, Weilong","Multiligand-enabled, copper-catalyzed Hiyama coupling of arylsilanes with unactivated secondary alkyl halides: reaction development and mechanistic insights.","Chemical science","2025","16","12","5109","5117","10.1039/d4sc07441f","","","0.71073","MoKα","","0.083","0.0713","","","0.2151","0.2258","","","","","","1.115","","","","has coordinates,has disorder","298823","2025-04-05","02:29:38",""
"1573847","6.81856","0.00004","18.79523","0.00011","32.85532","0.00019","90","","90","","90","","4210.62","0.04","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 B3 N2 O3 -","- C23 H21 B3 N2 O3 -","- C184 H168 B24 N16 O24 -","8","1","","Procter, Richard J.; Alamillo-Ferrer, Carla; Shabbir, Usman; Britton, Phyllida; Bučar, Dejan-Krešimir; Dumon, Alexandre S.; Rzepa, Henry S.; Burés, Jordi; Whiting, Andrew; Sheppard, Tom D.","Borate-catalysed direct amidation reactions of coordinating substrates.","Chemical science","2025","16","11","4718","4724","10.1039/d4sc07744j","","x-ray","1.54184","CuKα","","0.0333","0.0306","","","0.0804","0.0824","","","","","","1.036","","","","has coordinates","298811","2025-04-05","02:25:49",""
"1573849","7.2257","0.0004","13.4248","0.0008","24.382","0.0014","90","","90","","90","","2365.1","0.2","303","","303","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H11 N3 O3 S -","- C10 H11 N3 O3 S -","- C80 H88 N24 O24 S8 -","8","1","","Lu, Jiachen; Ok, Kang Min","Synergistic engineering of ultraviolet metal-free crystals with exceptional birefringence <i>via</i> pyridine-derived dimers.","Chemical science","2025","16","11","4703","4709","10.1039/d5sc00112a","","","0.71073","MoKα","","0.1243","0.0779","","","0.1284","0.1474","","","","","","1.209","","","","has coordinates","298806","2025-04-05","02:24:25",""
"1573850","17.5972","0.0005","7.0455","0.0002","12.8268","0.0003","90","","90.881","0.001","90","","1590.09","0.07","303","","303","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N3 O5 S -","- C15 H15 N3 O5 S -","- C60 H60 N12 O20 S4 -","4","1","","Lu, Jiachen; Ok, Kang Min","Synergistic engineering of ultraviolet metal-free crystals with exceptional birefringence <i>via</i> pyridine-derived dimers.","Chemical science","2025","16","11","4703","4709","10.1039/d5sc00112a","","","0.71073","MoKα","","0.0513","0.0404","","","0.09","0.0983","","","","","","1.114","","","","has coordinates","298806","2025-04-05","02:24:25",""
"1573851","26.4049","0.0005","18.7396","0.0002","27.4993","0.0005","90","","118.57","0.003","90","","11950.2","0.5","99.98","0.19","99.98","0.19","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C122 H170 Mg4 N8 P8 -","- C122 H170 Mg4 N8 P8 -","- C488 H680 Mg16 N32 P32 -","4","1","","Thum, Stefan; Townrow, Oliver P. E.; Langer, Jens; Harder, Sjoerd","Tuning the selectivity of P<sub>4</sub> reduction at alkaline-earth metal centres.","Chemical science","2025","16","10","4528","4536","10.1039/d4sc08502g","","x-ray","1.54184","CuKα","","0.058","0.0441","","","0.1072","0.1163","","","","","","1.007","","","","has coordinates,has disorder","298796","2025-04-05","02:21:42",""
"1573852","26.1211","0.0005","21.8425","0.0004","12.8482","0.0003","90","","90","","90","","7330.5","0.3","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C74 H114 Mg2 N4 P4 -","- C74 H114 Mg2 N4 P4 -","- C296 H456 Mg8 N16 P16 -","4","0.5","","Thum, Stefan; Townrow, Oliver P. E.; Langer, Jens; Harder, Sjoerd","Tuning the selectivity of P<sub>4</sub> reduction at alkaline-earth metal centres.","Chemical science","2025","16","10","4528","4536","10.1039/d4sc08502g","","x-ray","1.54184","CuKα","","0.0881","0.0756","","","0.2342","0.2547","","","","","","1.06","","","","has coordinates,has disorder","298796","2025-04-05","02:21:43",""
"1573853","13.4588","0.0002","23.0603","0.0003","15.7858","0.0002","90","","111.861","0.0018","90","","4547.04","0.12","99.98","0.12","99.98","0.12","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H154 Ca2 N4 O4 P4 -","- C90 H154 Ca2 N4 O4 P4 -","- C180 H308 Ca4 N8 O8 P8 -","2","0.5","","Thum, Stefan; Townrow, Oliver P. E.; Langer, Jens; Harder, Sjoerd","Tuning the selectivity of P<sub>4</sub> reduction at alkaline-earth metal centres.","Chemical science","2025","16","10","4528","4536","10.1039/d4sc08502g","","x-ray","1.54184","CuKα","","0.0622","0.0584","","","0.1529","0.1569","","","","","","1.067","","","","has coordinates,has disorder","298796","2025-04-05","02:21:43",""
"1573854","12.7375","0.0002","16.5295","0.0003","21.8122","0.0003","106.025","0.002","90.612","0.001","98.438","0.002","4359.87","0.13","99.97","0.16","99.97","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C97 H146 B2 Ca2 N4 -","- C97 H146 B2 Ca2 N4 -","- C194 H292 B4 Ca4 N8 -","2","1","","Thum, Stefan; Townrow, Oliver P. E.; Langer, Jens; Harder, Sjoerd","Tuning the selectivity of P<sub>4</sub> reduction at alkaline-earth metal centres.","Chemical science","2025","16","10","4528","4536","10.1039/d4sc08502g","","x-ray","1.54184","CuKα","","0.0555","0.0468","","","0.1191","0.1263","","","","","","1.033","","","","has coordinates,has disorder","298796","2025-04-05","02:21:43",""
"1573855","20.4699","0.0006","20.4809","0.0005","21.4594","0.0005","70.084","0.002","81.755","0.002","64.564","0.003","7638.6","0.4","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C131 H211 Ca3 N6 O4 P7 -","- C131 H211 Ca3 N6 O4 P7 -","- C262 H422 Ca6 N12 O8 P14 -","2","1","","Thum, Stefan; Townrow, Oliver P. E.; Langer, Jens; Harder, Sjoerd","Tuning the selectivity of P<sub>4</sub> reduction at alkaline-earth metal centres.","Chemical science","2025","16","10","4528","4536","10.1039/d4sc08502g","","x-ray","1.54184","CuKα","","0.0424","0.0369","","","0.0955","0.0991","","","","","","1.052","","","","has coordinates,has disorder","298796","2025-04-05","02:21:43",""
"1573856","9.639","0.003","9.806","0.003","14.785","0.004","89.903","0.009","89.916","0.009","81.105","0.009","1380.7","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","2","","Meher, Niranjan; Khatun, Mst Nasima; Parui, Retwik; Iyer, Parameswar Krishnan","Non-conjugated alkyl chain engineering to tune condensed state photophysical and supramolecular assembly properties.","Nanoscale","2025","17","11","6685","6694","10.1039/d5nr00163c","","","0.71073","MoKα","","0.0897","0.0595","","","0.1643","0.1966","","","","","","1.141","","","","has coordinates","298978","2025-04-05","03:33:32",""
"1573857","18.691","0.002","3.898","0.0005","26.717","0.003","90","","90.349","0.004","90","","1946.5","0.4","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C104 H72 N8 O16 -","8","2","","Meher, Niranjan; Khatun, Mst Nasima; Parui, Retwik; Iyer, Parameswar Krishnan","Non-conjugated alkyl chain engineering to tune condensed state photophysical and supramolecular assembly properties.","Nanoscale","2025","17","11","6685","6694","10.1039/d5nr00163c","","","0.71073","MoKα","","0.13","0.0832","","","0.1479","0.1689","","","","","","1.185","","","","has coordinates","299663","2025-05-14","10:18:01",""
"1573858","7.0702","0.0013","18.754","0.004","16.522","0.003","90","","96.935","0.005","90","","2174.7","0.7","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","","Meher, Niranjan; Khatun, Mst Nasima; Parui, Retwik; Iyer, Parameswar Krishnan","Non-conjugated alkyl chain engineering to tune condensed state photophysical and supramolecular assembly properties.","Nanoscale","2025","17","11","6685","6694","10.1039/d5nr00163c","","","0.71073","MoKα","","0.0788","0.0546","","","0.1631","0.1948","","","","","","1.339","","","","has coordinates","298978","2025-04-05","03:33:33",""
"1573859","11.0018","0.0007","5.4073","0.0003","15.6669","0.001","90","","108.949","0.002","90","","881.52","0.09","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 N O2 -","- C12 H7 N O2 -","- C48 H28 N4 O8 -","4","1","","Meher, Niranjan; Khatun, Mst Nasima; Parui, Retwik; Iyer, Parameswar Krishnan","Non-conjugated alkyl chain engineering to tune condensed state photophysical and supramolecular assembly properties.","Nanoscale","2025","17","11","6685","6694","10.1039/d5nr00163c","","","0.71073","MoKα","","0.046","0.0394","","","0.1405","0.1625","","","","","","1.406","","","","has coordinates","298978","2025-04-05","03:33:33",""
"1573860","9.3455","0.0009","6.8284","0.0006","19.0394","0.0017","90","","97.03","0.003","90","","1205.86","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Meher, Niranjan; Khatun, Mst Nasima; Parui, Retwik; Iyer, Parameswar Krishnan","Non-conjugated alkyl chain engineering to tune condensed state photophysical and supramolecular assembly properties.","Nanoscale","2025","17","11","6685","6694","10.1039/d5nr00163c","","","0.71073","MoKα","","0.0879","0.0599","","","0.1612","0.1911","","","","","","1.041","","","","has coordinates","298978","2025-04-05","03:33:33",""
"1573861","8.2305","0.0004","16.3481","0.0009","11.3549","0.0006","90","","103.244","0.001","90","","1487.2","0.13","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Meher, Niranjan; Khatun, Mst Nasima; Parui, Retwik; Iyer, Parameswar Krishnan","Non-conjugated alkyl chain engineering to tune condensed state photophysical and supramolecular assembly properties.","Nanoscale","2025","17","11","6685","6694","10.1039/d5nr00163c","","","0.71073","MoKα","","0.0638","0.0542","","","0.1431","0.1575","","","","","","1.064","","","","has coordinates","298978","2025-04-05","03:33:33",""
"1573862","4.7154","0.001","12.531","0.003","22.215","0.004","90","","90","","90","","1312.7","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Meher, Niranjan; Khatun, Mst Nasima; Parui, Retwik; Iyer, Parameswar Krishnan","Non-conjugated alkyl chain engineering to tune condensed state photophysical and supramolecular assembly properties.","Nanoscale","2025","17","11","6685","6694","10.1039/d5nr00163c","","","0.71073","MoKα","","0.0647","0.0471","","","0.109","0.1213","","","","","","1.045","","","","has coordinates","298978","2025-04-05","03:33:33",""
"1573863","14.2537","0.0004","14.2713","0.0005","17.4543","0.0005","90","","90","","90","","3550.53","0.19","91","5","91","5","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C42 H28 Fe N6 S2 -","- C42 H28 Fe N6 S2 -","- C168 H112 Fe4 N24 S8 -","4","0.5","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Trzop, Elzbieta; Bataille, Thierry; Daro, Nathalie; Denux, Dominique; Guionneau, Philippe; Cailleau, Hervé; Chastanet, Guillaume; Le Guennic, Boris; Collet, Eric","Stabilizing low symmetry-based functions of materials at room temperature through isosymmetric electronic bistability.","Materials horizons","2025","12","5","1463","1472","10.1039/d4mh01318b","","x-ray","0.71073","MoKα","","0.0726","0.0425","","","0.0793","0.0891","","","","","","1.047","","","","has coordinates","299156","2025-04-05","04:26:23",""
"1573864","15.6569","0.001","14.5792","0.001","16.8595","0.0009","90","","93.153","0.005","90","","3842.6","0.4","300","0.12","300","0.12","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Fe N6 S2 -","- C42 H28 Fe N6 S2 -","- C168 H112 Fe4 N24 S8 -","4","1","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Trzop, Elzbieta; Bataille, Thierry; Daro, Nathalie; Denux, Dominique; Guionneau, Philippe; Cailleau, Hervé; Chastanet, Guillaume; Le Guennic, Boris; Collet, Eric","Stabilizing low symmetry-based functions of materials at room temperature through isosymmetric electronic bistability.","Materials horizons","2025","12","5","1463","1472","10.1039/d4mh01318b","","x-ray","0.71073","MoKα","","0.1814","0.0664","","","0.0802","0.1092","","","","","","1.028","","","","has coordinates","299156","2025-04-05","04:26:24",""
"1573865","23.3025","0.0011","23.3025","0.0011","11.2648","0.0005","90","","90","","90","","6116.9","0.5","100","","100","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Poly[[bis(μ~4~-acetato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>':<i>O</i>')tetrakis(μ~3~-acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>')bis(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')bis(μ~3~-hydroxido)pentanickel(II)] 2.60-hydrate]","","- C16 H31.2 Ni5 O20.6 -","- C16 H26 Ni5 O20.602 -","- C128 H208 Ni40 O164.816 -","8","0.5","BT4163","Pfeiffer, Maximilian; Stöger, Berthold; Weil, Matthias","Poly[[bis(μ4-acetato-κ4 O:O:O′:O′)tetrakis(μ3-acetato-κ3 O:O:O′)bis(μ2-acetato-κ2 O:O′)bis(μ3-hydroxido)pentanickel(II)] 2.60-hydrate]","IUCrData","2025","10","2","x250082","","10.1107/S2414314625000823","","x-ray","0.71073","MoKα","","0.0926","0.0376","","","0.0626","0.0688","","","","","","0.826","","","","has coordinates,has disorder","300370","2025-07-05","10:15:08",""
"1573866","14.9741","0.0002","6.3842","0.0001","10.0741","0.0001","90","","90.435","0.001","90","","963.03","0.02","100","","100.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","4-(4-<i>tert</i>-Butylbenzyl)-1-neopentyl-1,2,4-triazolium bromide","","- C18 H28 Br N3 -","- C18 H28 Br N3 -","- C36 H56 Br2 N6 -","2","1","HB4505","Albert, Daniel R.; Gau, Michael; Rajaseelan, Edward","4-(4-tert-Butylbenzyl)-1-neopentyl-1,2,4-triazolium bromide","IUCrData","2025","10","2","x250092","","10.1107/S2414314625000926","","","1.54184","CuKα","","0.0454","0.0428","","","0.1149","0.1354","","","","","","1.147","","","","has coordinates","300370","2025-07-05","10:15:08",""
"1573867","4.686","0.0016","5.703","0.002","4.969","0.003","90","","90","","90","","132.79","0.1","","","","","","","","","","","","3","P 1","P 1","1","light wolframite","","","- Co O4 W -","- Co0.5 O0.9282 W0.45085 -","- Co O1.8564 W0.9017 -","2","2","","Siddhi V Patil, Amitkumar R Patil, Tukaram D Dongale, Santosh S Sutar, Keshav Y Rajpure,","Capacitance-induced non-zero crossing hysteresis in CoWO4 thin-film resistive memory","Colloids and Surfaces A: Physicochemical and Engineering Aspects'","2025","711","","136348","","10.1016/j.colsurfa.2025.136348","","","","","","","","","","","","","","","","","","","","","has coordinates","297643","2025-02-08","12:35:44",""
"1573868","8.305","0.0015","8.8068","0.0017","19.111","0.004","97.232","0.007","96.934","0.007","95.16","0.007","1368.7","0.5","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H10 Cl10 N -","- C25 H10 Cl10 N -","- C50 H20 Cl20 N2 -","2","1","","Gao, Shengxiang; Wu, Chunxiao; Zhang, Ming; Li, Feng","Stable luminescent diphenylamine biphenylmethyl radicals with α-type D<sub>0</sub> → D<sub>1</sub> transition and antiferromagnetic properties.","Chemical science","2025","16","11","4668","4675","10.1039/d4sc08026b","","","0.71073","MoKα","","0.0676","0.0521","","","0.1316","0.1431","","","","","","1.137","","","","has coordinates","298808","2025-04-05","02:25:04",""
"1573869","16.4717","0.0016","8.3566","0.0009","17.0028","0.0018","90","","103.423","0.004","90","","2276.5","0.4","125","2","125","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2PhN-BTM","","- C25 H14 Cl6 N -","- C25 H14 Cl6 N -","- C100 H56 Cl24 N4 -","4","1","","Gao, Shengxiang; Wu, Chunxiao; Zhang, Ming; Li, Feng","Stable luminescent diphenylamine biphenylmethyl radicals with α-type D<sub>0</sub> → D<sub>1</sub> transition and antiferromagnetic properties.","Chemical science","2025","16","11","4668","4675","10.1039/d4sc08026b","","","0.71073","MoKα","","0.0283","0.0248","","","0.0577","0.0595","","","","","","1.056","","","","has coordinates","298808","2025-04-05","02:25:04",""
"1573870","16.342","0.003","6.8717","0.0008","10.284","0.003","90","","90","","90","","1154.9","0.4","111","2","111.15","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C7 H2.4 O6.2 V -","- C7 O5 V -","- C28 O20 V4 -","4","0.25","","Smoljan, Courtney S.; Formalik, Filip; Barsoum, Michael L.; Fahy, Kira M.; Gaidimas, Madeleine A.; Son, Florencia A.; Xie, Haomiao; Idrees, Karam B.; Farha, Omar K.; Snurr, Randall Q.","Exceeding flexpectations: a combined experimental and computational investigation of structural flexibility in 3-dimensional linker-based metal-organic frameworks.","Chemical science","2025","16","11","4831","4841","10.1039/d4sc06360k","","","1.54184","CuKα","","0.1523","0.1448","","","0.3655","0.3719","","","","","","1.594","","","","has coordinates,has disorder","298812","2025-04-05","02:25:56",""
"1573871","27.885","0.0004","5.6072","0.0001","27.8067","0.0004","90","","111.567","0.001","90","","4043.37","0.11","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C240 H160 N16 -","8","1","","Du, Jiajun; Chen, Jinling; Ouyang, Beilin; Sun, Anxin; Tian, Congcong; Zhuang, Rongshan; Chen, Chen; Liu, Shuo; Chen, Qianwen; Li, Ziyi; Wu, Xiling; Cai, Jingyu; Zhao, Yuyang; Li, Ran; Xue, Teng; Cen, Tiantian; Zhao, Kaibo; Chen, Chun-Chao","Face-on oriented self-assembled molecules with enhanced π–π stacking for highly efficient inverted perovskite solar cells on rough FTO substrates","Energy & Environmental Science","2025","18","7","3196","3210","10.1039/D4EE05849F","","","1.54184","CuKα","","0.0446","0.0409","","","0.1525","0.1574","","","","","","1.421","","","","has coordinates","300997","2025-07-06","17:18:26",""
"1573872","6.4624","0.0005","7.3908","0.0005","13.2977","0.0011","90","","101.493","0.008","90","","622.39","0.08","300","2","300","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H13 N -","- C18 H13 N -","- C36 H26 N2 -","2","1","","Du, Jiajun; Chen, Jinling; Ouyang, Beilin; Sun, Anxin; Tian, Congcong; Zhuang, Rongshan; Chen, Chen; Liu, Shuo; Chen, Qianwen; Li, Ziyi; Wu, Xiling; Cai, Jingyu; Zhao, Yuyang; Li, Ran; Xue, Teng; Cen, Tiantian; Zhao, Kaibo; Chen, Chun-Chao","Face-on oriented self-assembled molecules with enhanced π–π stacking for highly efficient inverted perovskite solar cells on rough FTO substrates","Energy & Environmental Science","2025","18","7","3196","3210","10.1039/D4EE05849F","","","1.54184","CuKα","","0.0498","0.0404","","","0.105","0.1293","","","","","","1.003","","","","has coordinates","300997","2025-07-06","17:18:27",""
"1573873","5.17","0.002","10.11","0.0019","20.71","0.003","90","","90","","90","","1082.5","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Biotin","","","- C10 H16 N2 O3 S -","- C10 H16 N2 O3 S -","- C40 H64 N8 O12 S4 -","4","1","","Vlahakis, Niko; Clauss, Arden; Rodriguez, Jose A.","Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination.","IUCrJ","2025","12","2","","","10.1107/S2052252524012132","","","0.0251","Electron","","0.1322","0.1282","","","0.3245","0.3269","","","","","","1.196","","","","has coordinates","297679","2025-02-11","03:41:59",""
"1573874","5.51","0.002","8.24","0.0019","9.72","0.003","90","","90.33","","90","","441.3","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cu(II)-serine","","","- C12 H24 Cu2 N4 O12 -","- C12 H24 Cu2 N4 O12 -","- C12 H24 Cu2 N4 O12 -","1","0.5","","Vlahakis, Niko; Clauss, Arden; Rodriguez, Jose A.","Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination.","IUCrJ","2025","12","2","","","10.1107/S2052252524012132","","","0.0251","Electron","","0.1357","0.1217","","","0.3225","0.3441","","","","","","1.125","","","","has coordinates","297679","2025-02-11","03:42:05",""
"1573875","9.07","0.002","4.91","0.0019","14.97","0.003","90","","106.94","0.05","90","","637.7","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Zn(II)-methionine","","","- C20 H40 N4 O8 S4 Zn2 -","- C20 H40 N4 O8 S4 Zn2 -","- C20 H40 N4 O8 S4 Zn2 -","1","0.5","","Vlahakis, Niko; Clauss, Arden; Rodriguez, Jose A.","Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination.","IUCrJ","2025","12","2","","","10.1107/S2052252524012132","","","0.0251","Electron","","0.1684","0.1482","","","0.373","0.3815","","","","","","1.404","","","","has coordinates","297679","2025-02-11","03:42:07",""
"1573876","7.09","0.002","7.09","0.0019","29.07","0.003","90","","90","","90","","1461.3","0.6","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","Zn(II)-histidine","","","- C12 H16 N6 O4 Zn -","- C12 H16 N6 O4 Zn -","- C48 H64 N24 O16 Zn4 -","4","0.5","","Vlahakis, Niko; Clauss, Arden; Rodriguez, Jose A.","Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination.","IUCrJ","2025","12","2","","","10.1107/S2052252524012132","","","0.0251","Electron","","0.1885","0.1654","","","0.4","0.419","","","","","","1.191","","","","has coordinates","297679","2025-02-11","03:42:07",""
"1573877","9.6","0.002","13.145","0.002","13.28","0.006","79.53","0.01","71.78","0.01","69.39","0.01","1485.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Co(II)-meso-tetraphenylporphyrin","","- C44 H28 Co N4 -","- C44 H28 Co N4 -","- C88 H56 Co2 N8 -","2","1","","Vlahakis, Niko; Clauss, Arden; Rodriguez, Jose A.","Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination.","IUCrJ","2025","12","2","","","10.1107/S2052252524012132","","","0.01969","Electron","","0.188","0.1612","","","0.4325","0.452","","","","","","1.589","","","","has coordinates","297679","2025-02-11","03:42:08",""
"1573878","15.9413","0.0008","9.245","0.0005","16.0151","0.0008","90","","110.54","0.002","90","","2210.2","0.2","110","","110","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H18 Br4 N2 O2 -","- C20 H18 Br4 N2 O2 -","- C80 H72 Br16 N8 O8 -","4","1","","Jeba Silviya, S. Benita; Ruphina Maragatham, S. Michlin; Andrews, S. G. Jebastin; Bhuvanesh, Nattamai S. P.; Jebaraj, J. Winfred; Balakrishnan, Chithiraivel","A robust PET-based chiral Schiff base molecular probe for recognition of Hg<sup>2+</sup> and Pb<sup>2+</sup> and its application in live cell imaging.","Analytical methods : advancing methods and applications","2025","17","10","2342","2354","10.1039/d5ay00098j","","","0.71073","MoKα","","0.0246","0.0187","","","0.0415","0.043","","","","","","1.051","","","","has coordinates","298738","2025-04-05","01:58:25",""
"1573879","8.8358","0.0001","9.0954","0.0002","14.2686","0.0002","94.49","0.001","97.731","0.001","97.231","0.001","1121.94","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 N2 Ni S4 -","- C48 H68 N2 Ni S4 -","- C48 H68 N2 Ni S4 -","1","0.5","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0304","0.0299","","","0.0804","0.0808","","","","","","1.037","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573880","14.5441","0.0002","6.8348","0.0001","13.3132","0.0002","90","","90","","90","","1323.41","0.03","201","2","201","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H12 Cl2 N2 S2 -","- C11 H12 Cl2 N2 S2 -","- C44 H48 Cl8 N8 S8 -","4","0.5","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0572","0.0564","","","0.1787","0.1798","","","","","","1.165","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573881","10.3602","0.0001","22.0224","0.0002","13.6369","0.0001","90","","91.721","0.001","90","","3109.94","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H88 N4 Ni O2 S4 -","- C64 H88 N4 Ni O2 S4 -","- C128 H176 N8 Ni2 O4 S8 -","2","0.5","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0333","0.0304","","","0.0768","0.0785","","","","","","1.072","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573882","14.4786","0.0001","13.8664","0.0001","19.8298","0.0001","90","","94.856","0.001","90","","3966.86","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N5 Ni S2 -","- C39 H63 N5 Ni S2 -","- C156 H252 N20 Ni4 S8 -","4","1","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0346","0.0321","","","0.0818","0.0833","","","","","","1.054","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573883","11.8352","0.0001","8.4874","0.0001","15.0477","0.0002","90","","107.19","0.001","90","","1444.02","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 S2 -","- C14 H18 N2 S2 -","- C56 H72 N8 S8 -","4","1","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0364","0.035","","","0.0943","0.095","","","","","","1.139","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573884","12.6464","0.0002","14.4357","0.0002","24.9817","0.0003","90","","90","","90","","4560.65","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H66 N6 Ni O S2 -","- C44 H66 N6 Ni O S2 -","- C176 H264 N24 Ni4 O4 S8 -","4","1","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0351","0.0304","","","0.0723","0.0742","","","","","","1.048","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573885","16.3996","0.0001","12.5018","0.0001","14.1711","0.0001","90","","101.833","0.001","90","","2843.68","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H66 N4 Ni S4 -","- C62 H66 N4 Ni S4 -","- C124 H132 N8 Ni2 S8 -","2","0.5","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0295","0.0288","","","0.0764","0.0768","","","","","","1.041","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573886","12.2463","0.0002","13.0402","0.0002","18.3208","0.0003","84.384","0.001","76.105","0.001","64.184","0.001","2556.58","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H74 N6 Ni S2 -","- C52 H74 N6 Ni S2 -","- C104 H148 N12 Ni2 S4 -","2","1","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0344","0.0328","","","0.0857","0.0867","","","","","","1.085","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573887","41.9148","0.0002","41.9148","0.0002","19.7374","0.0001","90","","90","","120","","30030","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C116 H176 N24 Ni4 O S8 -","- C116 H176 N24 Ni4 O S8 -","- C1044 H1584 N216 Ni36 O9 S72 -","9","0.5","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0507","0.049","","","0.1418","0.1432","","","","","","1.038","","","","has coordinates,has disorder","298820","2025-04-05","02:28:42",""
"1573888","12.2516","0.0001","19.8503","0.0001","27.2496","0.0001","90","","90","","90","","6627.05","0.07","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C68 H96 K N4 Ni O3 S4 -","- C68 H96 K N4 Ni O3 S4 -","- C272 H384 K4 N16 Ni4 O12 S16 -","4","1","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0336","0.0327","","","0.0908","0.0914","","","","","","1.088","","","","has coordinates,has disorder","298820","2025-04-05","02:28:42",""
"1573889","11.042","","30.096","0.0001","34.2823","0.0001","90","","96.44","","90","","11320.8","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H86 K N2 Ni O3 S4 -","- C54 H86 K N2 Ni O3 S4 -","- C432 H688 K8 N16 Ni8 O24 S32 -","8","2","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.048","0.0462","","","0.1188","0.1202","","","","","","1.048","","","","has coordinates,has disorder","298820","2025-04-05","02:28:42",""
"1573890","17.1664","0.0007","17.1664","0.0007","15.3325","0.0017","90","","90","","90","","4518.3","0.6","293","","293","","","","","","","","","7","P 4 n c","P 4 -2n","104","","","","- C136 H150 Al8 Dy2 N16 Na2 O67 -","- C136 H150 Al8 Dy2 N16 Na2 O67 -","- C136 H150 Al8 Dy2 N16 Na2 O67 -","1","0.125","","Yan, Han; Calado, Claudia M. S.; Wang, Hao; Murugesu, Muralee; Sun, Wen-Bin","A novel Ln<sup>3+</sup>/Al<sup>3+</sup> metallacrown multifunctional material for latent fingerprint detection, luminescent thermometers and luminescent sensors.","Chemical science","2025","16","11","4821","4830","10.1039/d4sc08549c","","x-ray","0.71073","MoKα","","0.0749","0.0526","","","0.1416","0.1531","","","","","","1.115","","","","has coordinates,has disorder","298810","2025-04-05","02:25:42",""
"1573891","9.4208","0.0003","9.893","0.0003","9.9488","0.0003","87.466","0.002","62.402","0.002","89.609","0.002","820.83","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 F8 N2 O2 -","- C38 H26 F8 N2 O2 -","- C38 H26 F8 N2 O2 -","1","0.5","","Górski, Krzysztof; Shelton, Steve; Lingagouder, Jaijanarthanan; Data, Przemyslaw; Jacquemin, Denis; Gryko, Daniel T.","1,4-Dihydropyrrolo[3,2-<i>b</i>]pyrrole modified with dibenzoxazepine: a highly efficient core for charge-transfer-based OLED emitters.","Chemical science","2025","16","12","5223","5233","10.1039/d4sc04272g","","","1.54178","CuKα","","0.1118","0.0549","","","0.1297","0.1549","","","","","","1.058","","","","has coordinates","298819","2025-04-05","02:28:08",""
"1573892","11.6219","0.0002","13.9013","0.0002","8.4102","0.0002","90","","90","","90","","1358.75","0.04","150","0.1","150","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15 H16 N2 S -","- C15 H16 N2 S -","- C60 H64 N8 S4 -","4","0.5","","Yu, Yongjiang; Chen, Wang; Hu, Rongrong; Tang, Ben Zhong","The base-free multicomponent polymerization of elemental sulfur, difluoromethylene phosphobetaine and amines toward electron-deficient aromatic polythioureas","Polymer Chemistry","2025","16","13","1509","1518","10.1039/D4PY01387E","","x-ray","1.54184","CuKα","","0.0352","0.034","","","0.0927","0.0937","","","","","","1.058","","","","has coordinates","299153","2025-04-05","04:25:28",""
"1573893","8.7466","0.0001","11.0403","0.0002","22.1225","0.0003","90","","93.972","0.001","90","","2131.13","0.05","301.31","0.1","301.31","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C17 H22 N2 O5 S4 -","- C17 H22 N2 O5 S4 -","- C68 H88 N8 O20 S16 -","4","0.5","","Yu, Yongjiang; Chen, Wang; Hu, Rongrong; Tang, Ben Zhong","The base-free multicomponent polymerization of elemental sulfur, difluoromethylene phosphobetaine and amines toward electron-deficient aromatic polythioureas","Polymer Chemistry","2025","16","13","1509","1518","10.1039/D4PY01387E","","x-ray","1.54184","CuKα","","0.0414","0.0398","","","0.1174","0.1191","","","","","","1.096","","","","has coordinates,has disorder","299153","2025-04-05","04:25:29",""
"1573894","14.27","0.0003","7.5957","0.0002","14.4949","0.0003","90","","102.715","0.002","90","","1532.58","0.06","302.36","0.1","302.36","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F6 N2 S -","- C15 H10 F6 N2 S -","- C60 H40 F24 N8 S4 -","4","1","","Yu, Yongjiang; Chen, Wang; Hu, Rongrong; Tang, Ben Zhong","The base-free multicomponent polymerization of elemental sulfur, difluoromethylene phosphobetaine and amines toward electron-deficient aromatic polythioureas","Polymer Chemistry","2025","16","13","1509","1518","10.1039/D4PY01387E","","x-ray","1.54184","CuKα","","0.0638","0.0602","","","0.176","0.1795","","","","","","1.089","","","","has coordinates","299153","2025-04-05","04:25:29",""
"1573895","24.301","0.0009","13.2694","0.0004","8.6371","0.0003","90","","90","","90","","2785.12","0.16","300.55","0.1","300.55","0.1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H10 N4 S -","- C15 H10 N4 S -","- C120 H80 N32 S8 -","8","0.5","","Yu, Yongjiang; Chen, Wang; Hu, Rongrong; Tang, Ben Zhong","The base-free multicomponent polymerization of elemental sulfur, difluoromethylene phosphobetaine and amines toward electron-deficient aromatic polythioureas","Polymer Chemistry","2025","16","13","1509","1518","10.1039/D4PY01387E","","x-ray","1.54184","CuKα","","0.0651","0.0644","","","0.1885","0.1902","","","","","","1.082","","","","has coordinates","299153","2025-04-05","04:25:29",""
"1573896","6.9039","0.0002","10.665","0.0003","12.8313","0.0006","69.245","0.004","89.785","0.003","83.28","0.002","876.66","0.06","149.99","0.1","150","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N4 O5 S -","- C17 H18 N4 O5 S -","- C34 H36 N8 O10 S2 -","2","1","","Yu, Yongjiang; Chen, Wang; Hu, Rongrong; Tang, Ben Zhong","The base-free multicomponent polymerization of elemental sulfur, difluoromethylene phosphobetaine and amines toward electron-deficient aromatic polythioureas","Polymer Chemistry","2025","16","13","1509","1518","10.1039/D4PY01387E","","","1.54184","CuKα","","0.0377","0.0364","","","0.1016","0.1028","","","","","","1.077","","","","has coordinates","299153","2025-04-05","04:25:29",""
"1573897","10.778","0.0002","9.3346","0.0001","30.4546","0.0004","90","","90","","90","","3063.99","0.08","100.02","0.1","100.02","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H20 N2 S -","- C17 H20 N2 S -","- C136 H160 N16 S8 -","8","1","","Yu, Yongjiang; Chen, Wang; Hu, Rongrong; Tang, Ben Zhong","The base-free multicomponent polymerization of elemental sulfur, difluoromethylene phosphobetaine and amines toward electron-deficient aromatic polythioureas","Polymer Chemistry","2025","16","13","1509","1518","10.1039/D4PY01387E","","x-ray","1.54184","CuKα","","0.0387","0.0353","","","0.0953","0.098","","","","","","1.072","","","","has coordinates","299153","2025-04-05","04:25:29",""
"1573898","12.8648","0.0007","4.7385","0.0002","18.137","0.001","90","","104.231","0.005","90","","1071.7","0.1","103.15","","103.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","alphaGal-AAB-Me","","- C17 H25 Br N2 O11 -","- C17 H25 Br N2 O11 -","- C34 H50 Br2 N4 O22 -","2","1","","Yamashita, Kotoyo; Ito, Akitaka; Ishida, Masashi; Shintani, Yuki; Ikeda, Masato; Hadano, Shingo; Izumi, Masayuki; Ochi, Rika","Stereoisomerism-dependent gelation and crystal structures of glycosylated <i>N</i>-methylbromomaleimide-based supramolecular hydrogels.","Soft matter","2025","21","11","2124","2132","10.1039/d4sm01325e","","x-ray","0.71073","MoKα","","0.0481","0.0353","","","0.0712","0.0752","","","","","","1.028","","","","has coordinates","299155","2025-04-05","04:26:12",""
"1573902","9.3309","0.0004","12.6622","0.0005","14.2997","0.0006","72.396","0.001","72.255","0.001","82.124","0.002","1531.89","0.11","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H72 Au2 N4 -","- C56 H72 Au2 N4 -","- C56 H72 Au2 N4 -","1","0.5","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0271","0.0211","","","0.045","0.0477","","","","","","1.07","","","","has coordinates","298809","2025-04-05","02:25:33",""
"1573903","10.7024","0.0006","27.593","0.0015","12.0247","0.0006","90","","92.657","0.002","90","","3547.2","0.3","194","","194","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H42 Au N4 S -","- C32.5 H42 Au N4 S -","- C130 H168 Au4 N16 S4 -","4","1","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0386","0.032","","","0.0719","0.0748","","","","","","1.193","","","","has coordinates,has disorder","298809","2025-04-05","02:25:33",""
"1573904","12.7986","0.0005","15.2227","0.0005","18.1384","0.0007","90","","101.827","0.001","90","","3458.9","0.2","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H108 Au2 N4 O4 -","- C72 H108 Au2 N4 O4 -","- C144 H216 Au4 N8 O8 -","2","0.5","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0318","0.0232","","","0.0477","0.0517","","","","","","1.063","","","","has coordinates,has disorder","298809","2025-04-05","02:25:33",""
"1573905","9.0241","0.0005","12.0583","0.0007","15.9337","0.0008","80.824","0.002","89.441","0.002","78.132","0.002","1674.58","0.16","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H45 Au N2 Si -","- C32 H45 Au N2 Si -","- C64 H90 Au2 N4 Si2 -","2","1","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0274","0.0208","","","0.0457","0.05","","","","","","1.112","","","","has coordinates,has disorder","298809","2025-04-05","02:25:33",""
"1573906","18.4242","0.0009","13.8027","0.0007","18.9461","0.001","90","","109.094","0.002","90","","4553","0.4","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H55 Au N2 O4 -","- C48 H55 Au N2 O4 -","- C192 H220 Au4 N8 O16 -","4","1","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0558","0.0321","","","0.0602","0.0709","","","","","","1.057","","","","has coordinates","298809","2025-04-05","02:25:33",""
"1573907","13.4415","0.0013","29.354","0.003","36.128","0.004","93.781","0.005","94.261","0.004","100.703","0.004","13922","3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C150 H178 Au4 N8 O4 -","- C150 H178 Au4 N8 O4 -","- C600 H712 Au16 N32 O16 -","4","2","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","x-ray","0.71073","MoKα","","0.0993","0.0864","","","0.1893","0.196","","","","","","1.141","","","","has coordinates,has disorder","298809","2025-04-05","02:25:33",""
"1573908","12.7366","0.0005","15.5654","0.0006","19.9574","0.0007","90","","92.718","0.002","90","","3952.1","0.3","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H51 Au N2 O4 Si -","- C38 H51 Au N2 O4 Si -","- C152 H204 Au4 N8 O16 Si4 -","4","1","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0339","0.0217","","","0.0462","0.0512","","","","","","1.07","","","","has coordinates","298809","2025-04-05","02:25:33",""
"1573909","36.539","0.002","12.2149","0.0007","29.581","0.0016","90","","90","","90","","13202.6","1.3","193","","193","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C62 H78 Au2 N4 O4 -","- C62 H78 Au2 N4 O4 -","- C496 H624 Au16 N32 O32 -","8","1","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0656","0.0542","","","0.106","0.1112","","","","","","1.245","","","","has coordinates","298809","2025-04-05","02:25:33",""
"1573910","16.3416","0.0006","20.8456","0.0008","30.6473","0.0012","90","","100.38","0.002","90","","10269.2","0.7","193","","193","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H108 Au3 F3 N6 O3 S -","- C84 H108 Au3 F3 N6 O3 S -","- C336 H432 Au12 F12 N24 O12 S4 -","4","1","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0503","0.0312","","","0.0657","0.0768","","","","","","1.067","","","","has coordinates,has disorder","298809","2025-04-05","02:25:33",""
"1573911","15.203","0.003","14.457","0.002","7.3056","0.0014","90","","95.595","0.007","90","","1598","0.5","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl2 N3 O2 S -","- C15 H13 Cl2 N3 O2 S -","- C60 H52 Cl8 N12 O8 S4 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0448","0.0421","","","0.117","0.1194","","","","","","1.046","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573912","9.744","0.003","8.942","0.003","12.444","0.004","90","","99.429","0.011","90","","1069.6","0.6","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O2 S -","- C11 H13 N O2 S -","- C44 H52 N4 O8 S4 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0401","0.0383","","","0.1009","0.1029","","","","","","1.052","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573913","10.87","0.002","7.36","0.01","24.2055","0.0017","90","","102.98","","90","","1887","3","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 B N2 O4 S -","- C19 H21 B N2 O4 S -","- C76 H84 B4 N8 O16 S4 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0779","0.0664","","","0.1704","0.1811","","","","","","1.079","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573914","6.1887","0.0002","15.3738","0.0006","21.416","0.0009","90","","90","","90","","2037.6","0.13","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O4 S -","- C24 H26 O4 S -","- C96 H104 O16 S4 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0287","0.0272","","","0.0678","0.0689","","","","","","1.047","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573915","8.5144","0.0005","11.3398","0.0008","13.7819","0.0009","91.78","0.002","101.702","0.002","90.986","0.002","1302","0.15","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 O5 S -","- C14 H12 O5 S -","- C56 H48 O20 S4 -","4","2","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0358","0.0339","","","0.0905","0.092","","","","","","1.141","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573916","7.0417","0.0001","21.4946","0.0001","12.9761","0.0001","90","","104.119","0.001","90","","1904.71","0.03","283.2","0.7","283.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N6 O2 S2 -","- C16 H20 N6 O2 S2 -","- C64 H80 N24 O8 S8 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","1.54184","CuKα","","0.0383","0.0359","","","0.1001","0.1024","","","","","","1.071","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573917","11.72","0.001","13.2505","0.001","11.8575","0.001","90","","111.107","0.003","90","","1717.9","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O4 S -","- C18 H20 N2 O4 S -","- C72 H80 N8 O16 S4 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.034","0.0296","","","0.0765","0.0793","","","","","","1.051","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573918","16.5203","0.0001","11.144","0.0001","23.4626","0.0002","90","","90","","90","","4319.52","0.06","290","9","290.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl N3 O3 S -","- C23 H20 Cl N3 O3 S -","- C184 H160 Cl8 N24 O24 S8 -","8","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","1.54184","CuKα","","0.0361","0.0328","","","0.0957","0.0989","","","","","","1.059","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573919","11.096","0.003","10.649","0.003","14.752","0.004","90","","107.211","0.008","90","","1665.1","0.8","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl N O3 S -","- C17 H18 Cl N O3 S -","- C68 H72 Cl4 N4 O12 S4 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0426","0.0386","","","0.1029","0.1071","","","","","","1.041","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573920","9.952","0.003","12.022","0.003","18.755","0.005","78.612","0.009","77.456","0.01","84.925","0.009","2144.8","1","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H46 N3 O10 S2 -","- C46 H50 N2 O10 S2 -","- C92 H100 N4 O20 S4 -","2","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0967","0.0933","","","0.2287","0.2319","","","","","","1.094","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573921","13.3042","0.0005","15.8775","0.0007","16.5955","0.0008","90","","110.243","0.002","90","","3289.1","0.3","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N3 O2 S2 -","- C17 H17 N3 O2 S2 -","- C136 H136 N24 O16 S16 -","8","2","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0315","0.028","","","0.0722","0.0759","","","","","","1.058","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573922","17.157","0.004","10.6828","0.0009","25.135","0.002","90","","97.4945","0.0014","90","","4567.5","1.2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H52 Fe4 N3 O13 P -","- C41 H52 Fe4 N3 O13 P -","- C164 H208 Fe16 N12 O52 P4 -","4","1","","Pattanayak, Santanu; Siegel, Rachel E.; Liu, Yiming; Fettinger, James C.; Berben, Louise A.","Amine groups alter product selectivity and rate of catalytic hydride transfer reactions","Chemical Science","2025","","","","","10.1039/D4SC07359B","","","0.71073","MoKα","","0.067","0.0386","","","0.074","0.0855","","","","","","1.013","","","","has coordinates","297729","2025-02-13","23:10:53",""
"1573923","12.2009","0.0006","16.4108","0.0008","17.708","0.0008","82.274","0.002","76.135","0.003","84.742","0.003","3404.5","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H62 Fe4 N4 O10 P4 -","- C74 H62 Fe4 N4 O10 P4 -","- C148 H124 Fe8 N8 O20 P8 -","2","1","","Pattanayak, Santanu; Siegel, Rachel E.; Liu, Yiming; Fettinger, James C.; Berben, Louise A.","Amine groups alter product selectivity and rate of catalytic hydride transfer reactions","Chemical Science","2025","","","","","10.1039/D4SC07359B","","","0.71073","MoKα","","0.0436","0.0332","","","0.0804","0.0866","","","","","","1.021","","","","has coordinates","297729","2025-02-13","23:10:54",""
"1573924","26.4305","0.0013","26.4305","0.0013","28.419","0.002","90","","90","","120","","17192.9","1.7","170","","170","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C270 H210 N30 O18 Zn3 -","- C270 H210 N30 O18 Zn3 -","- C540 H420 N60 O36 Zn6 -","2","0.166667","","Xu, Ziwei; Ying, Xinwen; Li, Yi; Dong, Xiaoyan; Liu, Jiyong; Wang, Shuping; Little, Marc A.; Zhang, Dahao; Xie, Yongshu; Zhang, Zibin; Yu, Ling; Huang, Feihe; Li, Shijun","Template-directed self-assembly of porphyrin nanorings through an imine condensation reaction.","Chemical science","2025","16","12","5166","5173","10.1039/d4sc08569h","","x-ray","1.34139","GaKα","","0.2082","0.1363","","","0.3491","0.4048","","","","","","1.202","","","","has coordinates","298816","2025-04-05","02:27:23",""
"1573925","5.5532","0.0003","12.0594","0.0005","17.023","0.0008","86.599","0.006","83.723","0.006","82.426","0.006","1122.11","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis{4-(allyloxy)-<i>N</i>'-[4-(octyloxy)benzylidene]benzohydrazidato}nickel(II)","Bis(<i>N</i>'-{[4-(octyloxy)phenyl]methylidene}-4-(prop-2-en-1-yloxy)benzohydrazidato)nickel(II)","","- C50 H62 N4 Ni O6 -","- C50 H62 N4 Ni O6 -","- C50 H62 N4 Ni O6 -","1","0.5","BX4033","Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio","Bis{4-(allyloxy)-N′-[4-(octyloxy)benzylidene]benzohydrazidato}nickel(II)","IUCrData","2025","10","2","x250120","","10.1107/S2414314625001208","","","0.71075","MoKα","","0.0661","0.0441","","","0.0871","0.0944","","","","","","1.018","","","","has coordinates","300370","2025-07-05","10:15:08",""
"1573927","10.45569","0.00015","18.57018","0.00019","10.44754","0.00014","90","","115.809","0.0017","90","","1826.19","0.05","280","1","280","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 F2 N O3 -","- C20 H21 F2 N O3 -","- C80 H84 F8 N4 O12 -","4","1","","Fu, Hong; Wang, Zuo-Shuai; Li, Si-Jia; Zhu, Lin-Yuan; Wang, Xiao-Jian; Wang, Hong-Chen; Han, Bing","Photocatalytic 1,3-difluoroalkylcarboxylation of alkenes by triple kinetic-controlled radical self-ordering.","Chemical science","2025","16","14","5849","5856","10.1039/d4sc08607d","","x-ray","1.54184","CuKα","","0.0394","0.0374","","","0.0982","0.0997","","","","","","1.047","","","","has coordinates","298828","2025-04-05","02:30:56",""
"1573928","9.938","0.0007","10.9753","0.0009","11.084","0.0007","108.444","0.006","102.977","0.006","113.996","0.007","956.77","0.17","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 F2 N O3 -","- C22 H23 F2 N O3 -","- C44 H46 F4 N2 O6 -","2","1","","Fu, Hong; Wang, Zuo-Shuai; Li, Si-Jia; Zhu, Lin-Yuan; Wang, Xiao-Jian; Wang, Hong-Chen; Han, Bing","Photocatalytic 1,3-difluoroalkylcarboxylation of alkenes by triple kinetic-controlled radical self-ordering.","Chemical science","2025","16","14","5849","5856","10.1039/d4sc08607d","","x-ray","1.54184","CuKα","","0.0695","0.0556","","","0.1613","0.1792","","","","","","1.071","","","","has coordinates","298828","2025-04-05","02:30:56",""
"1573929","16.8352","0.0003","17.2648","0.0002","18.6772","0.0003","90","","94.3","0.002","90","","5413.37","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H70 F3 Gd N6 O20 S -","- C47 H50 F3 Gd N6 O20 S -","- C188 H200 F12 Gd4 N24 O80 S4 -","4","1","","Bodman, Samantha E.; Stachelek, Patrycja; Rehman, Umatur; Plasser, Felix; Pal, Robert; Butler, Stephen J.","A switch-on luminescent europium(iii) probe for selective and time-resolved detection of adenosine diphosphate (ADP).","Chemical science","2025","16","13","5602","5612","10.1039/d4sc07188c","","x-ray","0.71075","MoKα","","0.0929","0.0642","","","0.1602","0.1864","","","","","","1.058","","","","has coordinates,has disorder","298804","2025-04-05","02:23:42",""
"1573930","11.8872","0.0005","10.1609","0.0005","28.5346","0.0012","90","","90","","90","","3446.5","0.3","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Cl O -","- C22 H19 Cl O -","- C176 H152 Cl8 O8 -","8","1","","Wang, Yue; Miao, Junhao; Dong, Honglin; Zhang, Dongliang; Chen, Bei; Guan, Meihui; Zhang, Ge; Zhang, Qian","A photo- and cobalt-catalyzed highly selective and divergent hydrofunctionalization of 1,3-dienes with phenols.","Chemical science","2025","16","13","5640","5650","10.1039/d5sc00438a","","","1.54178","CuKα","","0.0642","0.0608","","","0.1615","0.1663","","","","","","1.075","","","","has coordinates","298799","2025-04-05","02:22:43",""
"1573931","29.74","0.004","16.255","0.002","24.079","0.004","90","","98.901","0.006","90","","11500","3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H37.5 Au B F20 N4.5 -","- C69 H37.5 Au B F20 N4.5 -","- C552 H300 Au8 B8 F160 N36 -","8","2","","Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu","Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.","Chemical science","2025","16","12","4998","5006","10.1039/d4sc07576e","","","0.71073","MoKα","","0.0882","0.0626","","","0.1546","0.172","","","","","","1.046","","","","has coordinates","298818","2025-04-05","02:28:00",""
"1573932","7.2275","0.0002","29.8407","0.0008","30.6964","0.0009","90","","90","","90","","6620.4","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H20 Au N9 -","- C46 H20 Au N9 -","- C368 H160 Au8 N72 -","8","1","","Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu","Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.","Chemical science","2025","16","12","4998","5006","10.1039/d4sc07576e","","","0.812","Synchrotron","","0.058","0.0495","","","0.1313","0.1388","","","","","","1.004","","","","has coordinates","298818","2025-04-05","02:28:01",""
"1573933","7.6381","0.0003","27.9614","0.0011","28.9791","0.0013","90","","90","","90","","6189.1","0.4","90","2","90","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C60 H20 Au B F20 N4 -","- C60 H20 Au B F20 N4 -","- C240 H80 Au4 B4 F80 N16 -","4","0.5","","Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu","Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.","Chemical science","2025","16","12","4998","5006","10.1039/d4sc07576e","","","0.71073","MoKα","","0.0674","0.0521","","","0.1508","0.1613","","","","","","1.206","","","","has coordinates","298818","2025-04-05","02:28:01",""
"1573934","35.803","0.006","21.342","0.004","20.798","0.003","90","","116.122","0.004","90","","14269","4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H54 Au B F24 N6 -","- C80 H54 Au B F24 N6 -","- C640 H432 Au8 B8 F192 N48 -","8","1","","Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu","Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.","Chemical science","2025","16","12","4998","5006","10.1039/d4sc07576e","","","0.71073","MoKα","","0.0328","0.03","","","0.0766","0.0782","","","","","","1.073","","","","has coordinates,has disorder","298818","2025-04-05","02:28:01",""
"1573935","25.853","0.003","37.935","0.004","20.488","0.002","90","","90.017","0.006","90","","20093","4","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70.67 H36 Au B Cl4 F24 N4 -","- C70.6667 H36 Au B Cl4 F24 N4 -","- C848 H432 Au12 B12 Cl48 F288 N48 -","12","1.5","","Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu","Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.","Chemical science","2025","16","12","4998","5006","10.1039/d4sc07576e","","","0.4136","Synchrotron","","0.0753","0.0583","","","0.1284","0.1377","","","","","","1.072","","","","has coordinates,has disorder","298818","2025-04-05","02:28:01",""
"1573936","9.41547","0.00015","10.53235","0.00017","23.2502","0.0002","93.7232","0.0011","99.2727","0.0011","91.1692","0.0013","2269.61","0.06","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 O12 P4 Te2 -","- C48 H40 O12 P4 Te2 -","- C96 H80 O24 P8 Te4 -","2","1","","Xue, Miaomiao; Ye, Guigui; Zhang, Lei; Dong, Qiang; Lee, Chun-Sing; Li, Zhen; Zhang, Qichun","Preparation, single-crystal structure and room-temperature phosphorescence of a covalent organic polymer containing Te-O-P bonds.","Chemical science","2025","16","12","5260","5265","10.1039/d4sc07210c","","x-ray","1.54184","CuKα","","0.0244","0.023","","","0.0578","0.0586","","","","","","1.056","","","","has coordinates","298826","2025-04-05","02:30:12",""
"1573937","13.536","0.0012","5.5532","0.0005","21.084","0.002","90","","92.725","0.009","90","","1583.1","0.3","302.11","0.1","302.11","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 N2 O2 -","- C38 H38 N2 O2 -","- C76 H76 N4 O4 -","2","0.5","","Zhao, Zhenxiang; Wang, Senhao; Shi, Xiaomei; Fu, Hongbing; Wang, Long","Multiple effects of aromatic substituents on excited-state properties and singlet fission process in azaquinodimethane systems.","Chemical science","2025","16","13","5565","5572","10.1039/d4sc06494a","","x-ray","0.71073","MoKα","","0.1386","0.075","","","0.222","0.2706","","","","","","1.029","","","","has coordinates,has disorder","298801","2025-04-05","02:23:14",""
"1573938","11.0327","0.001","12.2831","0.0008","24.7672","0.0012","77.396","0.005","89.959","0.006","64.379","0.008","2936.6","0.4","149","2","149","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H34 N2 O2 S2 -","- C34 H34 N2 O2 S2 -","- C136 H136 N8 O8 S8 -","4","2","","Zhao, Zhenxiang; Wang, Senhao; Shi, Xiaomei; Fu, Hongbing; Wang, Long","Multiple effects of aromatic substituents on excited-state properties and singlet fission process in azaquinodimethane systems.","Chemical science","2025","16","13","5565","5572","10.1039/d4sc06494a","","x-ray","1.54184","CuKα","","0.1254","0.0954","","","0.2811","0.3041","","","","","","1.062","","","","has coordinates","298801","2025-04-05","02:23:15",""
"1573939","39.3453","0.0015","6.1691","0.0002","22.6081","0.0009","90","","116.888","0.002","90","","4894.3","0.3","237","","237","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 N2 O -","- C30 H24 N2 O -","- C240 H192 N16 O8 -","8","1","","Liao, Huijuan; Dong, Jianyang; Zhou, Xuechen; Jiang, Qin; Lv, Zishan; Lei, Fang; Xue, Dong","Silver-mediated formal [4π + 2<i>σ</i>] cycloaddition reactions of bicyclobutanes with nitrile imines: access to 2,3-diazobicyclo[3.1.1]heptenes.","Chemical science","2025","16","11","4654","4660","10.1039/d4sc08280j","","","1.54178","CuKα","","0.0415","0.0345","","","0.0899","0.0951","","","","","","1.056","","","","has coordinates","298807","2025-04-05","02:24:34",""
"1573940","11.8395","0.0006","14.4553","0.0007","15.7362","0.0008","70.349","0.002","82.732","0.002","88.868","0.002","2515.2","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H60.7 Cu F6 N4.4 O6.55 P -","- C54 H60.7 Cu F6 N4.4 O6.55 P -","- C108 H121.4 Cu2 F12 N8.8 O13.1 P2 -","2","1","","Saeednia, Borna; Sragow, Aria M.; Lin, Yannan; Sheehan, Colton J.; Metlay, Amy S.; Gau, Michael R.; Dye, Samantha A.; O'Konski, Sarah P; Mallouk, Thomas E.; Dmochowski, Ivan J.","Unusually air-stable copper(i) complexes showing high selectivity for carbon monoxide.","Chemical science","2025","16","12","5058","5063","10.1039/d5sc00237k","","","0.71073","MoKα","","0.0665","0.0508","","","0.1329","0.1429","","","","","","1.03","","","","has coordinates,has disorder","298817","2025-04-05","02:27:37",""
"1573941","15.4717","0.0005","18.0548","0.0007","22.9196","0.0007","90","","90","","90","","6402.3","0.4","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H69.5 Cu F6 N7.5 O12.5 S2 -","- C62 H69.5 Cu F6 N7.5 O12.5 S2 -","- C248 H278 Cu4 F24 N30 O50 S8 -","4","1","","Saeednia, Borna; Sragow, Aria M.; Lin, Yannan; Sheehan, Colton J.; Metlay, Amy S.; Gau, Michael R.; Dye, Samantha A.; O'Konski, Sarah P; Mallouk, Thomas E.; Dmochowski, Ivan J.","Unusually air-stable copper(i) complexes showing high selectivity for carbon monoxide.","Chemical science","2025","16","12","5058","5063","10.1039/d5sc00237k","","","0.71073","MoKα","","0.0555","0.0432","","","0.1041","0.1119","","","","","","1.052","","","","has coordinates,has disorder","298817","2025-04-05","02:27:37",""
"1573942","18.0509","0.0004","16.2265","0.0002","20.4026","0.0005","90","","115.111","0.003","90","","5411.2","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H61 Cu F3 N8 O9 S -","- C56 H61 Cu F3 N8 O9 S -","- C224 H244 Cu4 F12 N32 O36 S4 -","4","1","","Saeednia, Borna; Sragow, Aria M.; Lin, Yannan; Sheehan, Colton J.; Metlay, Amy S.; Gau, Michael R.; Dye, Samantha A.; O'Konski, Sarah P; Mallouk, Thomas E.; Dmochowski, Ivan J.","Unusually air-stable copper(i) complexes showing high selectivity for carbon monoxide.","Chemical science","2025","16","12","5058","5063","10.1039/d5sc00237k","","x-ray","0.71073","MoKα","","0.0474","0.0403","","","0.0969","0.0998","","","","","","1.047","","","","has coordinates,has disorder","298817","2025-04-05","02:27:37",""
"1573943","11.3993","0.0002","21.628","0.0003","21.962","0.0003","90","","93.759","0.001","90","","5402.95","0.14","110.01","0.1","110.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H50 Ag2 Au2 P2 -","- C68 H50 Ag2 Au2 P2 -","- C272 H200 Ag8 Au8 P8 -","4","1","","Shehzad, Aamir; Yi, Qiuhao; Cui, Chaonan; Luo, Zhixun","Electrocatalytic nitrogen reduction to ammonia by graphene-supported Au<sub>4</sub>Cu<sub>2</sub> and Au<sub>2</sub>Ag<sub>2</sub> nanoclusters.","Nanoscale","2025","17","12","7453","7459","10.1039/d4nr05341a","","x-ray","0.71073","MoKα","","0.031","0.0259","","","0.0598","0.0612","","","","","","1.027","","","","has coordinates","298979","2025-04-05","03:33:53",""
"1573944","13.1746","0.0008","12.7141","0.0008","39.686","0.004","90","","94.67","0.007","90","","6625.5","0.9","170","0.1","170","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26.33333 H20.66667 Au Cl0.66667 P -","- C26.3333 H20.6667 Au Cl0.666667 P -","- C316 H248 Au12 Cl8 P12 -","12","3","","Shehzad, Aamir; Yi, Qiuhao; Cui, Chaonan; Luo, Zhixun","Electrocatalytic nitrogen reduction to ammonia by graphene-supported Au<sub>4</sub>Cu<sub>2</sub> and Au<sub>2</sub>Ag<sub>2</sub> nanoclusters.","Nanoscale","2025","17","12","7453","7459","10.1039/d4nr05341a","","x-ray","0.71073","MoKα","","0.207","0.156","","","0.3465","0.3686","","","","","","1.095","","","","has coordinates","299663","2025-05-14","10:18:01",""
"1573945","12.6398","0.0006","16.7456","0.0009","18.52","0.0009","88.962","0.004","76.498","0.004","69.963","0.004","3572.7","0.3","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C84 H60 Au4 Cu2 P2 -","- C84 H60 Au4 Cu2 P2 -","- C168 H120 Au8 Cu4 P4 -","2","1","","Shehzad, Aamir; Yi, Qiuhao; Cui, Chaonan; Luo, Zhixun","Electrocatalytic nitrogen reduction to ammonia by graphene-supported Au<sub>4</sub>Cu<sub>2</sub> and Au<sub>2</sub>Ag<sub>2</sub> nanoclusters.","Nanoscale","2025","17","12","7453","7459","10.1039/d4nr05341a","","x-ray","0.71073","MoKα","","0.0851","0.0517","","","0.12","0.1306","","","","","","1.056","","","","has coordinates","298979","2025-04-05","03:33:53",""
"1573946","9.736","0.0006","26.6108","0.0015","14.4804","0.001","90","","91.792","0.004","90","","3749.8","0.4","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H39 Cl6 N6 Sb -","- C33 H39 Cl6 N6 Sb -","- C132 H156 Cl24 N24 Sb4 -","4","2","","Jiang, Chunyan; Yan, Jing; Qiu, Jianrong; Wu, Mingmei; Xu, Beibei","Regulating intermolecular interactions for stable multifunctional organic-inorganic metal halide hybrid glasses.","Materials horizons","2025","12","10","3515","3524","10.1039/d4mh01427h","","","1.34138","GaKα","","0.0854","0.0658","","","0.1679","0.1821","","","","","","1.043","","","","has coordinates","301190","2025-07-06","18:04:34",""
"1573947","17.5697","0.0015","17.5697","0.0015","8.7813","0.001","90","","90","","90","","2710.7","0.4","150","","150","","","","","","","","","5","I -4","I -4","82","","","","- C44 H52 Cl10 N8 Sb2 -","- C44 H52 Cl10 N8 Sb2 -","- C88 H104 Cl20 N16 Sb4 -","2","0.25","","Jiang, Chunyan; Yan, Jing; Qiu, Jianrong; Wu, Mingmei; Xu, Beibei","Regulating intermolecular interactions for stable multifunctional organic-inorganic metal halide hybrid glasses.","Materials horizons","2025","12","10","3515","3524","10.1039/d4mh01427h","","","1.34138","GaKα","","0.1051","0.0643","","","0.1684","0.1917","","","","","","1.066","","","","has coordinates","301190","2025-07-06","18:04:35",""
"1573948","6.986","0.003","11.274","0.005","11.59","0.005","67.534","0.014","89.112","0.015","88.67","0.015","843.3","0.6","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 Ca N2 O10 S2 -","- C10 H16 Ca N2 O10 S2 -","- C20 H32 Ca2 N4 O20 S4 -","2","1","","Xu, Longyun; Li, Conggang; Li, Shuaifeng; Zhao, Huijian; Kong, Xianghao; Qu, Zaixin; Feng, Wenjie; Xu, Kaidong; Ye, Ning; Hu, Zhanggui","Hydrogen bonding regulation-oriented design of pyridine sulfonate as a promising UV birefringent crystal characterized by enhanced structural anisotropy.","Chemical science","2025","16","12","5186","5193","10.1039/d4sc08583c","","","0.71073","MoKα","","0.0729","0.0396","","","0.0775","0.0895","","","","","","1.01","","","","has coordinates","298822","2025-04-05","02:29:30",""
"1573949","21.2505","0.0015","11.5885","0.0007","20.6086","0.0013","90","","92.21","0.002","90","","5071.3","0.6","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H48 Cr F9 N12 O9 S3 -","- C41 H48 Cr F9 N12 O9 S3 -","- C164 H192 Cr4 F36 N48 O36 S12 -","4","1","","Ye, Yating; Poncet, Maxime; Yaltseva, Polina; Salcedo-Abraira, Pablo; Rodríguez-Diéguez, Antonio; Martín, Javier Heredia; Cuevas-Contreras, Laura; Cruz, Carlos M.; Doistau, Benjamin; Piguet, Claude; Wenger, Oliver S.; Herrera, Juan Manuel; Jiménez, Juan-Ramón","Modulating the spin-flip rates and emission energies through ligand design in chromium(iii) molecular rubies.","Chemical science","2025","16","12","5205","5213","10.1039/d4sc08021a","","","0.71073","MoKα","","0.05","0.0413","","","0.1091","0.1165","","","","","","1.053","","","","has coordinates","298825","2025-04-05","02:30:03",""
"1573950","24.8078","0.0009","21.0257","0.001","11.4987","0.0005","90","","90","","90","","5997.7","0.4","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C45 H54 Cr F9 N10 O19 S3 -","- C45 H34 Cr F9 N10 O9 S3 -","- C180 H136 Cr4 F36 N40 O36 S12 -","4","1","","Ye, Yating; Poncet, Maxime; Yaltseva, Polina; Salcedo-Abraira, Pablo; Rodríguez-Diéguez, Antonio; Martín, Javier Heredia; Cuevas-Contreras, Laura; Cruz, Carlos M.; Doistau, Benjamin; Piguet, Claude; Wenger, Oliver S.; Herrera, Juan Manuel; Jiménez, Juan-Ramón","Modulating the spin-flip rates and emission energies through ligand design in chromium(iii) molecular rubies.","Chemical science","2025","16","12","5205","5213","10.1039/d4sc08021a","","x-ray","0.71073","MoKα","","0.1117","0.1037","","","0.3308","0.3517","","","","","","1.687","","","","has coordinates,has disorder","298825","2025-04-05","02:30:04",""
"1573951","11.8195","0.0005","22.8812","0.001","22.7016","0.001","90","","100.664","0.0016","90","","6033.5","0.5","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H51 Cr F9 I4 N11 O10 S3 -","- C43 H51 Cr F9 I4.0014 N11 O10 S3 -","- C172 H204 Cr4 F36 I16.0056 N44 O40 S12 -","4","1","","Ye, Yating; Poncet, Maxime; Yaltseva, Polina; Salcedo-Abraira, Pablo; Rodríguez-Diéguez, Antonio; Martín, Javier Heredia; Cuevas-Contreras, Laura; Cruz, Carlos M.; Doistau, Benjamin; Piguet, Claude; Wenger, Oliver S.; Herrera, Juan Manuel; Jiménez, Juan-Ramón","Modulating the spin-flip rates and emission energies through ligand design in chromium(iii) molecular rubies.","Chemical science","2025","16","12","5205","5213","10.1039/d4sc08021a","","","0.71073","MoKα","","0.0816","0.0611","","","0.1406","0.154","","","","","","1.073","","","","has coordinates,has disorder","298825","2025-04-05","02:30:04",""
"1573953","10.327","0.0013","11.0712","0.0014","13.0992","0.0017","93.047","0.002","92.234","0.002","102.161","0.002","1460.1","0.3","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H26 N4 O -","- C41 H26 N4 O -","- C82 H52 N8 O2 -","2","1","","Chu, Lizhi; Ma, Chenglin; Zhang, Li; Zhou, Yannan; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Multifunctional oxadiazole-based ultraviolet-emitting materials used as hosts for multicolor phosphorescence.","Chemical science","2025","16","12","5252","5259","10.1039/d5sc00374a","","","0.71073","MoKα","","0.0471","0.0355","","","0.0903","0.096","","","","","","0.955","","","","has coordinates","298815","2025-04-05","02:26:52",""
"1573954","5.505","0.0001","19.8183","0.0003","27.3727","0.0004","90","","95.443","0.001","90","","2972.89","0.08","298","2","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H26 N4 O -","- C41 H26 N4 O -","- C164 H104 N16 O4 -","4","1","","Chu, Lizhi; Ma, Chenglin; Zhang, Li; Zhou, Yannan; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Multifunctional oxadiazole-based ultraviolet-emitting materials used as hosts for multicolor phosphorescence.","Chemical science","2025","16","12","5252","5259","10.1039/d5sc00374a","","","1.54178","CuKα","","0.048","0.039","","","0.0989","0.105","","","","","","1.047","","","","has coordinates","298815","2025-04-05","02:26:52",""
"1573955","53.653","0.003","9.11","0.0006","11.0235","0.0007","90","","95.524","0.003","90","","5363","0.6","303.15","","303.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H21 N3 O -","- C32 H21 N3 O -","- C256 H168 N24 O8 -","8","1","","Chu, Lizhi; Ma, Chenglin; Zhang, Li; Zhou, Yannan; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Multifunctional oxadiazole-based ultraviolet-emitting materials used as hosts for multicolor phosphorescence.","Chemical science","2025","16","12","5252","5259","10.1039/d5sc00374a","","","1.54178","CuKα","","0.0921","0.0783","","","0.2059","0.2143","","","","","","1.047","","","","has coordinates","298815","2025-04-05","02:26:52",""
"1573956","12.9388","0.0004","30.291","0.002","6.6444","0.0002","90","","90","","90","","2604.1","0.2","300","3","300","3","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0189","0.017","","","0.038","0.0389","","","","","","1.102","","","","has coordinates","298797","2025-04-05","02:22:22",""
"1573957","12.8444","0.0005","29.723","0.002","6.5815","0.0003","90","","90","","90","","2512.6","0.2","300","3","300","3","","","600000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0187","0.0167","","","0.0377","0.0387","","","","","","1.103","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573958","12.4841","0.0006","27.931","0.002","6.2972","0.0003","90","","90","","90","","2195.8","0.2","300","3","300","3","","","3900000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0165","0.0159","","","0.0355","0.0358","","","","","","1.117","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573959","12.5017","0.0009","27.526","0.004","6.2872","0.0004","90","","90","","90","","2163.6","0.4","300","3","300","3","","","4810000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0236","0.0223","","","0.0456","0.0459","","","","","","1.191","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573960","12.6989","0.001","28.912","0.004","6.47","0.0005","90","","90","","90","","2375.5","0.4","300","3","300","3","","","1610000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0159","0.0151","","","0.0352","0.0355","","","","","","1.146","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573961","12.5029","0.0007","27.709","0.003","6.2997","0.0004","90","","90","","90","","2182.5","0.3","300","3","300","3","","","4330000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.02","0.0185","","","0.0406","0.041","","","","","","1.157","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573962","12.699","0.0005","28.928","0.002","6.4727","0.0003","90","","90","","90","","2377.8","0.2","300","3","300","3","","","1600000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0187","0.0168","","","0.0357","0.0394","","","","","","1.153","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573963","12.9028","0.0005","30.077","0.003","6.6218","0.0003","90","","90","","90","","2569.8","0.3","300","3","300","3","","","200000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0189","0.017","","","0.0383","0.039","","","","","","1.113","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573964","12.5704","0.0005","28.337","0.002","6.3725","0.0003","90","","90","","90","","2269.9","0.2","300","3","300","3","","","2825000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0172","0.0158","","","0.0361","0.0376","","","","","","1.158","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573965","12.5155","0.0005","28.112","0.002","6.3307","0.0002","90","","90","","90","","2227.37","0.19","300","3","300","3","","","3400000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0188","0.017","","","0.0357","0.0394","","","","","","1.204","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573966","12.6346","0.0005","28.617","0.002","6.4221","0.0003","90","","90","","90","","2322","0.2","300","3","300","3","","","2220000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0159","0.0151","","","0.0316","0.0319","","","","","","1.154","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573967","12.7582","0.0005","29.234","0.002","6.5183","0.0003","90","","90","","90","","2431.2","0.2","300","3","300","3","","","1100000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0181","0.0166","","","0.0339","0.035","","","","","","1.118","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573968","5.5513","0.0001","9.0805","0.0001","22.6176","0.0003","90","","93.832","0.001","90","","1137.57","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C60 H48 N8 -","4","1","","Shaydullin, Ruslan R.; Galushko, Alexey S.; Ilyushenkova, Valentina V.; Vlasova, Yulia S.; Ananikov, Valentine P.","Are activation barriers of 50-70 kcal mol<sup>-1</sup> accessible for transformations in organic synthesis in solution?","Chemical science","2025","16","12","5289","5298","10.1039/d4sc08243e","","x-ray","1.54184","CuKα","","0.042","0.0397","","","0.11","0.1123","","","","","","1.03","","","","has coordinates","298824","2025-04-05","02:29:44",""
"1573969","27.5951","0.0002","13.4831","0.0001","29.7605","0.0002","90","","114.537","0.001","90","","10073","0.15","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C123 H94 B2 Cl6 N6 Zn -","- C120 H88 B2 N6 Zn -","- C480 H352 B8 N24 Zn4 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","x-ray","1.54184","CuKα","","0.0367","0.0348","","","0.0964","0.0978","","","","","","1.038","","","","has coordinates","298833","2025-04-05","02:33:26",""
"1573970","27.51","0.006","13.52","0.003","30.45","0.006","90","","113.67","0.03","90","","10373","5","300","0.2","300","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.0429","0.0378","","","0.1153","0.1203","","","","","","1.074","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573971","27.79","0.006","13.68","0.003","30.56","0.006","90","","113.4","0.03","90","","10662","5","400","0.2","400","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.0603","0.0459","","","0.1389","0.1556","","","","","","1.042","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573972","27.31","0.006","13.37","0.003","30.17","0.006","90","","114.31","0.03","90","","10039","4","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.0437","0.04","","","0.1084","0.1122","","","","","","1.061","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573973","27.71","0.006","13.64","0.003","30.55","0.006","90","","113.46","0.03","90","","10592","5","375","0.2","375","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.0551","0.0427","","","0.1301","0.1435","","","","","","1.085","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573974","27.429","0.006","13.479","0.003","29.817","0.006","90","","114.3","0.03","90","","10047","4","100","2","100","0.02","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C133 H118 B2 Cl2 Co N6 O2 -","- C120 H88 B2 Co N6 -","- C480 H352 B8 Co4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","x-ray","0.71076","Synchrotron","","0.0609","0.0558","","","0.175","0.1813","","","","","","1.111","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573975","27.35","0.006","13.4","0.003","30.24","0.006","90","","114.19","0.03","90","","10110","4","150","0.2","150","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.044","0.0398","","","0.109","0.1142","","","","","","1.061","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573976","27.38","0.006","13.44","0.003","30.33","0.006","90","","113.99","0.03","90","","10197","4","200","0.2","200","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.0471","0.0391","","","0.1099","0.1202","","","","","","1.107","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573977","27.44","0.006","13.47","0.003","30.39","0.006","90","","113.83","0.03","90","","10275","4","250","0.2","250","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.0454","0.0405","","","0.1163","0.1222","","","","","","1.077","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573978","27.64","0.006","13.59","0.003","30.52","0.006","90","","113.51","0.03","90","","10513","5","350","0.2","350","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.047","0.0398","","","0.1208","0.1276","","","","","","1.073","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573979","17.0314","0.0002","17.0463","0.0003","21.0901","0.0002","80.916","0.001","69.604","0.001","60.143","0.002","4976.4","0.16","100","0.11","100","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C129 H109 B2 Mn N6 O1.5 -","- C120 H88 B2 Mn N6 -","- C240 H176 B4 Mn2 N12 -","2","1","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","x-ray","1.54184","CuKα","","0.0488","0.0428","","","0.1128","0.1181","","","","","","1.101","","","","has coordinates,has disorder","298833","2025-04-05","02:33:27",""
"1573980","7.7089","0.0001","24.161","0.0002","30.34","0.0003","90","","90","","90","","5650.97","0.1","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 N O2 -","- C40 H29 N O2 -","- C320 H232 N8 O16 -","8","2","","Sun, Haodong; Xiao, Yuxin; He, Yunfei; Wei, Xiaoyu; Zou, Jindou; Luo, Yuanda; Wu, Yazhang; Zhao, Jiaxin; Au, Vonika Ka-Man; Yu, Tao","3D printable organic room-temperature phosphorescent materials and printed real-time sensing and display devices.","Chemical science","2025","16","12","5299","5309","10.1039/d5sc00316d","","x-ray","1.54184","CuKα","","0.0378","0.0345","","","0.0879","0.0895","","","","","","1.087","","","","has coordinates","299663","2025-05-14","10:18:01",""
"1573981","12.8697","0.0006","26.1356","0.0009","7.9805","0.0003","90","","107.143","0.004","90","","2565.04","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 Cl2 N O2 -","- C33 H23 Cl2 N O2 -","- C132 H92 Cl8 N4 O8 -","4","1","","Sun, Haodong; Xiao, Yuxin; He, Yunfei; Wei, Xiaoyu; Zou, Jindou; Luo, Yuanda; Wu, Yazhang; Zhao, Jiaxin; Au, Vonika Ka-Man; Yu, Tao","3D printable organic room-temperature phosphorescent materials and printed real-time sensing and display devices.","Chemical science","2025","16","12","5299","5309","10.1039/d5sc00316d","","x-ray","0.71073","MoKα","","0.0809","0.0589","","","0.1674","0.1832","","","","","","1.057","","","","has coordinates","298814","2025-04-05","02:26:36",""
"1573982","15.739","0.002","16.068","0.002","13.9254","0.0019","90","","107.433","0.002","90","","3359.9","0.8","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H29 N O2 -","- C44 H29 N O2 -","- C176 H116 N4 O8 -","4","1","","Sun, Haodong; Xiao, Yuxin; He, Yunfei; Wei, Xiaoyu; Zou, Jindou; Luo, Yuanda; Wu, Yazhang; Zhao, Jiaxin; Au, Vonika Ka-Man; Yu, Tao","3D printable organic room-temperature phosphorescent materials and printed real-time sensing and display devices.","Chemical science","2025","16","12","5299","5309","10.1039/d5sc00316d","","","0.71073","MoKα","","0.2009","0.0791","","","0.2182","0.2976","","","","","","0.936","","","","has coordinates","298814","2025-04-05","02:26:36",""
"1573983","10.495","0.0006","15.3001","0.001","11.7177","0.0008","90","","97.033","0.002","90","","1867.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Br N O2 -","- C20 H24 Br N O2 -","- C80 H96 Br4 N4 O8 -","4","2","","Masukawa, Kazuki; Kojima, Amu; Sato, Takuma; Terada, Masahiro; Nakamura, Itaru","Cu-catalyzed [1,3]-asymmetric methoxy rearrangement of N-methoxyanilines: mechanistic insight","Catalysis Science & Technology","2025","15","7","2138","2142","10.1039/D5CY00106D","","x-ray","0.71073","MoKα","","0.0721","0.0477","","","0.0966","0.1077","","","","","","1.015","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573984","2.9895","0.0006","2.9895","0.0006","2.9895","0.0006","90","","90","","90","","26.717","0.009","296","2","296","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Titanium vanadium nickel","","- Ni0.92 Ti V0.08 -","- Ni0.92 Ti V0.08 -","- Ni0.92 Ti V0.08 -","1","0.0208333","HB4492","Liu, Huizi; Fan, Changzeng; Wen, Bin; Zhang, Lifeng","Titanium vanadium nickel, TiV0.08Ni0.92","IUCrData","2025","10","2","x250147","","10.1107/S2414314625001476","","","0.71073","MoKα","","0.0246","0.0223","","","0.0375","0.0386","","","","","","1.385","","","","has coordinates,has disorder","300370","2025-07-05","10:15:09",""
"1573985","10.0719","0.0004","10.9585","0.0005","18.5142","0.0008","90","","90","","90","","2043.47","0.15","170","","170","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H33 B11 N2 O2 -","- C12 H33 B11 N2 O2 -","- C48 H132 B44 N8 O8 -","4","0.5","","Sun, Wanqi; Jin, Yujie; Wang, Yongtao; Wen, Zeyu; Sun, Jizeng; Yao, Jia; Duttwyler, Simon; Li, Haoran","Oxidation-induced nucleophilic substitution at the electron-rich B(12) vertex in [CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> under catalyst-free conditions.","Chemical science","2025","16","14","5942","5947","10.1039/d5sc00234f","","","1.34139","GaKα","","0.0746","0.0562","","","0.1574","0.1719","","","","","","1.053","","","","has coordinates,has disorder","298787","2025-04-05","02:19:17",""
"1573986","10.4232","0.0006","11.4832","0.0008","14.7581","0.0009","93.391","0.004","94.642","0.004","91.388","0.004","1756.8","0.19","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H55 B11 N2 O7 -","- C24 H55 B11 N2 O7 -","- C48 H110 B22 N4 O14 -","2","1","","Sun, Wanqi; Jin, Yujie; Wang, Yongtao; Wen, Zeyu; Sun, Jizeng; Yao, Jia; Duttwyler, Simon; Li, Haoran","Oxidation-induced nucleophilic substitution at the electron-rich B(12) vertex in [CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> under catalyst-free conditions.","Chemical science","2025","16","14","5942","5947","10.1039/d5sc00234f","","","1.34139","GaKα","","0.1875","0.0781","","","0.1772","0.2293","","","","","","0.94","","","","has coordinates","298787","2025-04-05","02:19:17",""
"1573987","23.2378","0.0009","9.4437","0.0004","17.9211","0.0007","90","","109.429","0.001","90","","3708.8","0.3","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H53 B11 Cl6 N2 O2 -","- C21 H53 B11 Cl6 N2 O2 -","- C84 H212 B44 Cl24 N8 O8 -","4","1","","Sun, Wanqi; Jin, Yujie; Wang, Yongtao; Wen, Zeyu; Sun, Jizeng; Yao, Jia; Duttwyler, Simon; Li, Haoran","Oxidation-induced nucleophilic substitution at the electron-rich B(12) vertex in [CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> under catalyst-free conditions.","Chemical science","2025","16","14","5942","5947","10.1039/d5sc00234f","","","1.34139","GaKα","","0.0545","0.0445","","","0.1182","0.1248","","","","","","1.053","","","","has coordinates","298787","2025-04-05","02:19:17",""
"1573988","13.1967","0.0005","22.4636","0.0008","20.8837","0.0008","90","","92.836","0.002","90","","6183.3","0.4","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H54 B11 N3 O2 -","- C21 H54 B11 N3 O2 -","- C168 H432 B88 N24 O16 -","8","2","","Sun, Wanqi; Jin, Yujie; Wang, Yongtao; Wen, Zeyu; Sun, Jizeng; Yao, Jia; Duttwyler, Simon; Li, Haoran","Oxidation-induced nucleophilic substitution at the electron-rich B(12) vertex in [CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> under catalyst-free conditions.","Chemical science","2025","16","14","5942","5947","10.1039/d5sc00234f","","x-ray","1.34139","GaKα","","0.0579","0.0457","","","0.1216","0.1305","","","","","","1.037","","","","has coordinates","298787","2025-04-05","02:19:17",""
"1573989","7.613","0.0005","8.5829","0.0004","12.8193","0.0007","80.36","0.004","73.628","0.005","82.082","0.005","788.68","0.08","219.99","0.1","219.99","0.1","","","","","","","","5","P 1","P 1","1","","","","- C18 H15 Br Fe O2 -","- C18 H15 Br Fe O2 -","- C36 H30 Br2 Fe2 O4 -","2","2","","Hang, Nan-Nan; Tong, En-Guang; Qi, Ting; Sun, Chao; Ming, Jialin","Asymmetric synthesis of metallocenes with planar and central chirality by rhodium-catalyzed desymmetrization reactions.","Chemical science","2025","16","14","5880","5886","10.1039/d5sc00158g","","x-ray","1.54184","CuKα","","0.0507","0.0445","","","0.1133","0.1195","","","","","","1.08","","","","has coordinates","298832","2025-04-05","02:32:44",""
"1573990","7.79663","0.00015","10.5671","0.0002","18.0745","0.0003","90","","101.425","0.0018","90","","1459.61","0.05","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 N2 O4 Re S2 -","- C10 H17 N2 O4 Re S2 -","- C40 H68 N8 O16 Re4 S8 -","4","1","","Melis, Diana R.; Segers, Charlotte; Wellens, Jasmien; Van de Voorde, Michiel; Blacque, Olivier; Ooms, Maarten; Gasser, Gilles; Opsomer, Tomas","Cysteine-selective [<sup>188</sup>Re]Re(v) radiolabelling of a Nanobody® for targeted radionuclide therapy using a ""chelate-then-click"" approach.","Chemical science","2025","16","14","6089","6098","10.1039/d4sc07743a","","x-ray","1.54184","CuKα","","0.0271","0.0266","","","0.0578","0.058","","","","","","1.276","","","","has coordinates,has disorder","298785","2025-04-05","02:18:26",""
"1573991","27.8226","0.0004","20.249","0.0003","8.86174","0.00014","90","","90","","90","","4992.53","0.13","160","0.1","160","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H13 N2 O4 Re S2 -","- C8 H13 N2 O4 Re S2 -","- C128 H208 N32 O64 Re16 S32 -","16","1","","Melis, Diana R.; Segers, Charlotte; Wellens, Jasmien; Van de Voorde, Michiel; Blacque, Olivier; Ooms, Maarten; Gasser, Gilles; Opsomer, Tomas","Cysteine-selective [<sup>188</sup>Re]Re(v) radiolabelling of a Nanobody® for targeted radionuclide therapy using a ""chelate-then-click"" approach.","Chemical science","2025","16","14","6089","6098","10.1039/d4sc07743a","","x-ray","1.54184","CuKα","","0.0298","0.0298","","","0.0752","0.0753","","","","","","1.043","","","","has coordinates","298785","2025-04-05","02:18:26",""
"1573992","11.0941","0.0004","22.838","0.0009","15.192","0.0006","90","","93.182","0.002","90","","3843.2","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Co F3 N2 P4 -","- C42 H42 Co F3 N2 P4 -","- C168 H168 Co4 F12 N8 P16 -","4","1","","Fitzsimmons, Matthew C.; Seith, Maria C.; Moore, Curtis E.; Thomas, Christine M.","Efficient and selective hydroboration of alkenes catalyzed by an air-stable (PP<sup>CF3</sup>P)CoI<sub>2</sub> precatalyst.","Chemical science","2025","16","13","5717","5725","10.1039/d4sc08818b","","x-ray","0.71073","MoKα","K-L~3~","0.0519","0.045","","","0.1092","0.1134","","","","","","1.149","","","","has coordinates","298798","2025-04-05","02:22:36",""
"1573993","12.5715","0.0006","13.3397","0.0006","15.6881","0.0008","87.496","0.002","73.663","0.002","62.081","0.001","2218.77","0.19","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C41.5 H37 Cl5 Co F3 I2 N2 P3 -","- C41.5 H37 Cl5 Co F3 I2 N2 P3 -","- C83 H74 Cl10 Co2 F6 I4 N4 P6 -","2","1","","Fitzsimmons, Matthew C.; Seith, Maria C.; Moore, Curtis E.; Thomas, Christine M.","Efficient and selective hydroboration of alkenes catalyzed by an air-stable (PP<sup>CF3</sup>P)CoI<sub>2</sub> precatalyst.","Chemical science","2025","16","13","5717","5725","10.1039/d4sc08818b","","x-ray","0.71073","MoKα","K-L~3~","0.0321","0.0241","","","0.0518","0.0553","","","","","","1.026","","","","has coordinates,has disorder","298798","2025-04-05","02:22:36",""
"1573994","24.0754","0.0015","12.3634","0.0008","34.026","0.002","90","","90","","90","","10128","1.1","100","","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C55 H57 Co F3 N2 O2 P3 -","- C47 H41 Co F3 N2 P3 -","- C376 H328 Co8 F24 N16 P24 -","8","2","","Fitzsimmons, Matthew C.; Seith, Maria C.; Moore, Curtis E.; Thomas, Christine M.","Efficient and selective hydroboration of alkenes catalyzed by an air-stable (PP<sup>CF3</sup>P)CoI<sub>2</sub> precatalyst.","Chemical science","2025","16","13","5717","5725","10.1039/d4sc08818b","","x-ray","0.71073","MoKα","K-L~3~","0.0719","0.0451","","","0.0911","0.0986","","","","","","1.028","","","","has coordinates","298798","2025-04-05","02:22:36",""
"1573995","11.0055","0.0004","12.1682","0.0005","14.8532","0.0006","90","","104.525","0.002","90","","1925.52","0.13","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C92 H72 N8 O12 S4 -","4","1","","Gu, Jun; Zhang, Li-Hong; Zhuang, Hong-Feng; He, Ying","Atroposelective [4+1] annulation for the synthesis of isotopic isoindolinones bearing both central and axial chirality.","Chemical science","2025","16","13","5735","5744","10.1039/d5sc00594a","","","1.54178","CuKα","","0.036","0.0327","","","0.0868","0.088","","","","","","1.068","","","","has coordinates","298802","2025-04-05","02:23:23",""
"1573996","8.843","0.0001","12.33","0.0002","18.0497","0.0002","90","","90","","90","","1968.03","0.04","193.15","","193.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 N2 O3 S -","- C23 H20 N2 O3 S -","- C92 H80 N8 O12 S4 -","4","1","","Gu, Jun; Zhang, Li-Hong; Zhuang, Hong-Feng; He, Ying","Atroposelective [4+1] annulation for the synthesis of isotopic isoindolinones bearing both central and axial chirality.","Chemical science","2025","16","13","5735","5744","10.1039/d5sc00594a","","","1.54184","CuKα","","0.0255","0.0251","","","0.0668","0.0672","","","","","","1.075","","","","has coordinates","298802","2025-04-05","02:23:24",""
"1573997","8.3879","0.0008","12.8676","0.0013","9.7824","0.001","90","","111.619","0.003","90","","981.56","0.17","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C46 H36 N4 O6 S2 -","2","1","","Gu, Jun; Zhang, Li-Hong; Zhuang, Hong-Feng; He, Ying","Atroposelective [4+1] annulation for the synthesis of isotopic isoindolinones bearing both central and axial chirality.","Chemical science","2025","16","13","5735","5744","10.1039/d5sc00594a","","","1.54178","CuKα","","0.0247","0.0246","","","0.0596","0.0596","","","","","","1.076","","","","has coordinates","298802","2025-04-05","02:23:24",""
"1573998","8.3907","0.0004","12.8791","0.0006","9.7624","0.0004","90","","111.393","0.001","90","","982.28","0.08","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C46 H36 N4 O6 S2 -","2","1","","Gu, Jun; Zhang, Li-Hong; Zhuang, Hong-Feng; He, Ying","Atroposelective [4+1] annulation for the synthesis of isotopic isoindolinones bearing both central and axial chirality.","Chemical science","2025","16","13","5735","5744","10.1039/d5sc00594a","","","1.54178","CuKα","","0.0267","0.0266","","","0.0666","0.0667","","","","","","1.098","","","","has coordinates","298802","2025-04-05","02:23:24",""
"1573999","20.9199","0.0003","20.9199","0.0003","20.9199","0.0003","90","","90","","90","","9155.4","0.2","100","","100","","","","","","","","","7","P n -3 :2","-P 2ab 2bc 3","201","","","","- C10 H15.5 Ag2 F3 N O3.25 S -","- C10 H13 Ag2 F3 N O2 S -","- C240 H312 Ag48 F72 N24 O48 S24 -","24","1","","Chandrashekar, Priyanka; Karmakar, Arun; Aparna, Ravari Kandy; Singh, Laddi; Mondal, Pradip Kumar; Kundu, Subrata; Bhattacharyya, Kalishankar; Mandal, Sukhendu","Linker driven site-specific catalysis in atomically precise silver cluster assemblies.","Chemical science","2025","16","13","5726","5734","10.1039/d4sc08408j","","","0.71073","MoKα","","0.0341","0.0313","","","0.0694","0.0716","","","","","","1.032","","","","has coordinates","298800","2025-04-05","02:23:04",""
"1574000","25.337","0.005","24.666","0.005","19.661","0.004","90","","109.96","0.03","90","","11549","5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H58 Ag6 F9 N4 O7 S3 -","- C45 H58 Ag6 F9 N4 O7 S3 -","- C360 H464 Ag48 F72 N32 O56 S24 -","8","1","","Chandrashekar, Priyanka; Karmakar, Arun; Aparna, Ravari Kandy; Singh, Laddi; Mondal, Pradip Kumar; Kundu, Subrata; Bhattacharyya, Kalishankar; Mandal, Sukhendu","Linker driven site-specific catalysis in atomically precise silver cluster assemblies.","Chemical science","2025","16","13","5726","5734","10.1039/d4sc08408j","","","0.7","Synchrotron","","0.0439","0.0399","","","0.1114","0.1144","","","","","","1.005","","","","has coordinates,has disorder","298800","2025-04-05","02:23:05",""
"1574001","26.994","0.005","14.021","0.003","29.259","0.006","90","","92.57","0.03","90","","11063","4","90","","90","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 Ag6 F9 N7 O7 S3 -","- C42 H52 Ag6 F9 N7 O7 S3 -","- C336 H416 Ag48 F72 N56 O56 S24 -","8","1","","Chandrashekar, Priyanka; Karmakar, Arun; Aparna, Ravari Kandy; Singh, Laddi; Mondal, Pradip Kumar; Kundu, Subrata; Bhattacharyya, Kalishankar; Mandal, Sukhendu","Linker driven site-specific catalysis in atomically precise silver cluster assemblies.","Chemical science","2025","16","13","5726","5734","10.1039/d4sc08408j","","","0.7","Synchrotron","","0.068","0.0626","","","0.186","0.1931","","","","","","1.068","","","","has coordinates,has disorder","298800","2025-04-05","02:23:05",""
"1574002","22.946","0.005","27.85","0.006","18.982","0.004","90","","90","","90","","12130","5","100","","100","","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C39 H45 Ag6 F9 N3 O6 S3 -","- C39 H45 Ag6 F9 N3 O6 S3 -","- C312 H360 Ag48 F72 N24 O48 S24 -","8","1","","Chandrashekar, Priyanka; Karmakar, Arun; Aparna, Ravari Kandy; Singh, Laddi; Mondal, Pradip Kumar; Kundu, Subrata; Bhattacharyya, Kalishankar; Mandal, Sukhendu","Linker driven site-specific catalysis in atomically precise silver cluster assemblies.","Chemical science","2025","16","13","5726","5734","10.1039/d4sc08408j","","","0.7","Synchrotron","","0.0993","0.0848","","","0.2608","0.2755","","","","","","1.112","","","","has coordinates,has disorder","298800","2025-04-05","02:23:05",""
"1574003","4.4906","0.0004","8.7661","0.0011","19.496","0.002","90","","90","","90","","767.46","0.14","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aminopyrazine phosphate","","- C4 H8 N3 O4 P -","- C4 H8 N3 O4 P -","- C16 H32 N12 O16 P4 -","4","1","","Arif, Muhammad; Liu, Xu; Jia, Hangwei; Yang, Zhihua; Hou, Xueling; Pan, Shilie","Optimizing optical anisotropy in low-dimensional structures <i>via</i> intralayer hydrogen bonding modulation and anionic substitution.","Materials horizons","2025","12","10","3538","3545","10.1039/d4mh01790k","","","0.71073","MoKα","","0.0531","0.0473","","","0.1061","0.1133","","","","","","1.054","","","","has coordinates","301189","2025-07-06","18:04:22",""
"1574004","5.1632","0.0008","10.2883","0.0017","15.253","0.003","90","","93.922","0.005","90","","808.4","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aminopyrazine methanesulfonate","","- C5 H9 N3 O3 S -","- C5 H9 N3 O3 S -","- C20 H36 N12 O12 S4 -","4","1","","Arif, Muhammad; Liu, Xu; Jia, Hangwei; Yang, Zhihua; Hou, Xueling; Pan, Shilie","Optimizing optical anisotropy in low-dimensional structures <i>via</i> intralayer hydrogen bonding modulation and anionic substitution.","Materials horizons","2025","12","10","3538","3545","10.1039/d4mh01790k","","","0.71073","MoKα","","0.0685","0.0477","","","0.0981","0.1109","","","","","","1.114","","","","has coordinates","301189","2025-07-06","18:04:23",""
"1574005","5.3958","0.0006","19.471","0.002","6.9453","0.0007","90","","104.63","0.005","90","","706.03","0.13","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Aminopyrazine Succinate","","- C12 H16 N6 O4 -","- C12 H16 N6 O4 -","- C24 H32 N12 O8 -","2","0.5","","Arif, Muhammad; Liu, Xu; Jia, Hangwei; Yang, Zhihua; Hou, Xueling; Pan, Shilie","Optimizing optical anisotropy in low-dimensional structures <i>via</i> intralayer hydrogen bonding modulation and anionic substitution.","Materials horizons","2025","12","10","3538","3545","10.1039/d4mh01790k","","","0.71073","MoKα","","0.0628","0.0441","","","0.1077","0.1264","","","","","","1.034","","","","has coordinates","301189","2025-07-06","18:04:23",""
"1574006","23.329","0.002","8.9732","0.0006","7.4927","0.0006","90","","101.254","0.003","90","","1538.3","0.2","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aminopyrazine Sulfamate","","- C4 H8 N4 O3 S -","- C4 H8 N4 O3 S -","- C32 H64 N32 O24 S8 -","8","1","","Arif, Muhammad; Liu, Xu; Jia, Hangwei; Yang, Zhihua; Hou, Xueling; Pan, Shilie","Optimizing optical anisotropy in low-dimensional structures <i>via</i> intralayer hydrogen bonding modulation and anionic substitution.","Materials horizons","2025","12","10","3538","3545","10.1039/d4mh01790k","","","0.71073","MoKα","","0.0485","0.0392","","","0.098","0.1034","","","","","","1.087","","","","has coordinates","301189","2025-07-06","18:04:23",""
"1574007","4.9961","0.0005","20.906","0.002","7.0582","0.0006","90","","102.398","0.003","90","","720.03","0.12","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aminopyrazine Tetrafloroborate","","- C4 H6 B F4 N3 -","- C4 H6 B F4 N3 -","- C16 H24 B4 F16 N12 -","4","1","","Arif, Muhammad; Liu, Xu; Jia, Hangwei; Yang, Zhihua; Hou, Xueling; Pan, Shilie","Optimizing optical anisotropy in low-dimensional structures <i>via</i> intralayer hydrogen bonding modulation and anionic substitution.","Materials horizons","2025","12","10","3538","3545","10.1039/d4mh01790k","","","0.71073","MoKα","","0.0567","0.0476","","","0.1237","0.1358","","","","","","1.07","","","","has coordinates","301189","2025-07-06","18:04:23",""
"1574008","10.2656","0.0014","3.7235","0.0005","13.2934","0.0019","90","","107.188","0.005","90","","485.43","0.12","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aminopyrazine Borate","","- C4 H11 B2 N3 O6 -","- C4 H11 B2 N3 O6 -","- C8 H22 B4 N6 O12 -","2","0.5","","Arif, Muhammad; Liu, Xu; Jia, Hangwei; Yang, Zhihua; Hou, Xueling; Pan, Shilie","Optimizing optical anisotropy in low-dimensional structures <i>via</i> intralayer hydrogen bonding modulation and anionic substitution.","Materials horizons","2025","12","10","3538","3545","10.1039/d4mh01790k","","","0.71073","MoKα","","0.0554","0.0481","","","0.1026","0.1061","","","","","","1.18","","","","has coordinates","301189","2025-07-06","18:04:23",""
"1574009","8.658","0.003","8.791","0.003","9.477","0.003","71.944","0.012","81.828","0.012","83.043","0.012","676.6","0.4","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","Aminopyrazine triflate","","- C9 H11 F3 N6 O3 S -","- C9 H11 F3 N6 O3 S -","- C18 H22 F6 N12 O6 S2 -","2","1","","Arif, Muhammad; Liu, Xu; Jia, Hangwei; Yang, Zhihua; Hou, Xueling; Pan, Shilie","Optimizing optical anisotropy in low-dimensional structures <i>via</i> intralayer hydrogen bonding modulation and anionic substitution.","Materials horizons","2025","12","10","3538","3545","10.1039/d4mh01790k","","","0.71073","MoKα","","0.0697","0.0555","","","0.1524","0.1731","","","","","","1.113","","","","has coordinates","301189","2025-07-06","18:04:23",""
"1574010","9.1568","0.0001","11.115","0.0001","26.1678","0.0003","90","","95.763","0.001","90","","2649.84","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 B N O -","- C30 H42 B N O -","- C120 H168 B4 N4 O4 -","4","1","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0555","0.049","","","0.1338","0.1388","","","","","","1.06","","","","has coordinates","298805","2025-04-05","02:24:06",""
"1574011","14.2386","0.0001","14.0447","0.0001","15.3868","0.0001","90","","90","","90","","3077","0.04","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H50 B N O Se -","- C33 H50 B N O Se -","- C132 H200 B4 N4 O4 Se4 -","4","1","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0371","0.035","","","0.095","0.0964","","","","","","1.108","","","","has coordinates,has disorder","298805","2025-04-05","02:24:07",""
"1574012","9.6984","0.0001","11.0467","0.0002","14.5864","0.0002","96.819","0.001","105.427","0.001","92.382","0.001","1491.38","0.04","100","2","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H51 B N P -","- C32 H51 B N P -","- C64 H102 B2 N2 P2 -","2","1","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","","1.54184","CuKα","","0.038","0.037","","","0.0993","0.1001","","","","","","1.037","","","","has coordinates","298805","2025-04-05","02:24:07",""
"1574013","10.7762","0.0002","16.8779","0.0003","24.5726","0.0003","81.439","0.001","86.226","0.001","88.794","0.001","4409.59","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H74 B Li2 N O4 Se -","- C45 H74 B Li2 N O4 Se -","- C180 H296 B4 Li8 N4 O16 Se4 -","4","2","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0703","0.0577","","","0.153","0.1619","","","","","","1.066","","","","has coordinates,has disorder","298805","2025-04-05","02:24:07",""
"1574014","10.1565","0.0001","10.3469","0.0001","14.2245","0.0001","69.78","0.001","80.935","0.001","81.899","0.001","1379.14","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H84 B2 N2 Te2 -","- C58 H84 B2 N2 Te2 -","- C58 H84 B2 N2 Te2 -","1","0.5","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0345","0.0334","","","0.0957","0.0965","","","","","","1.127","","","","has coordinates","298805","2025-04-05","02:24:07",""
"1574015","12.7992","0.0001","16.2783","0.0001","17.3761","0.0001","106.637","0.001","94.029","0.001","96.39","0.001","3427.31","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H88 B2 F7.79 N2 P0.96 Te2 -","- C64 H88 B2 F7.796 N2 P0.966 Te2 -","- C128 H176 B4 F15.592 N4 P1.932 Te4 -","2","1","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0349","0.0323","","","0.0871","0.0884","","","","","","1.125","","","","has coordinates,has disorder","298805","2025-04-05","02:24:07",""
"1574016","18.006","0.0001","8.4637","0.0001","17.399","0.0001","90","","93.337","0.001","90","","2647.07","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 B N S -","- C29 H42 B N S -","- C116 H168 B4 N4 S4 -","4","1","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0406","0.0373","","","0.0994","0.1016","","","","","","1.049","","","","has coordinates","298805","2025-04-05","02:24:07",""
"1574017","10.5609","0.0003","13.0367","0.0004","14.8835","0.0004","82.383","0.002","79.577","0.002","68.461","0.002","1869.7","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H116 B2 Li2 N2 O4 S2 -","- C74 H116 B2 Li2 N2 O4 S2 -","- C74 H116 B2 Li2 N2 O4 S2 -","1","0.5","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0635","0.0586","","","0.162","0.1664","","","","","","1.048","","","","has coordinates,has disorder","298805","2025-04-05","02:24:07",""
"1574018","10.6514","0.0001","21.0348","0.0002","16.8392","0.0002","90","","106.025","0.001","90","","3626.22","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H108 B2 Li4 N2 O3 S2 -","- C70 H108 B2 Li4 N2 O3 S2 -","- C140 H216 B4 Li8 N4 O6 S4 -","2","1","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0294","0.0288","","","0.0759","0.0763","","","","","","1.022","","","","has coordinates,has disorder","298805","2025-04-05","02:24:07",""
"1574019","10.7784","0.0001","16.9121","0.0001","24.8131","0.0001","82.133","0.001","86.65","","88.61","","4472.24","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H74 B Li2 N O4 Te -","- C45 H74 B Li2 N O4 Te -","- C180 H296 B4 Li8 N4 O16 Te4 -","4","2","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0285","0.0258","","","0.0693","0.0711","","","","","","1.074","","","","has coordinates,has disorder","298805","2025-04-05","02:24:07",""
"1574020","8.2207","0.0012","8.2207","0.0012","10.104","0.002","90","","90","","120","","591.35","0.17","180","2","180.15","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Bi2 Br3 Cs3 I5.22 -","- Bi2 Br3 Cs3 I5.226 -","- Bi2 Br3 Cs3 I5.226 -","1","0.0833333","","Singh, Kuntal; Hossain, Mozakkar; Nayak, Pabitra Kumar; Karmakar, Sougata; Tripathi, Akash; Sarkar, Prakash; Rudra, Pratyasha; Ali, A. V. Muhammed; Grandhi, G. Krishnamurthy; Vivo, Paola; Mondal, Swastik; Adarsh, K. V.; Ghosh, Dibyajyoti; Rao, K. D. M.","Benign mid-gap halide vacancy states in 2D-bismuth-based halide perovskite microcrystals for enhanced broadband photodetectors.","Materials horizons","2025","12","11","3865","3877","10.1039/d4mh01532k","","","0.71073","MoKα","","0.0196","0.0184","","","0.0425","0.0431","","","","","","1.164","","","","has coordinates","301193","2025-07-06","18:05:33",""
"1574021","8.8766","0.0001","17.645","0.0001","17.2008","0.0001","90","","91.5518","0.0006","90","","2693.13","0.04","95","","95","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 N2 O2 -","- C29 H44 N2 O2 -","- C116 H176 N8 O8 -","4","1","LT5073","Zmeškalová, Eliška; Stara, František; Havlůjová, Tereza; Šoóš, Miroslav","Surface analysis of cannabigerol cocrystals: linking crystal structure to enhanced properties.","IUCrJ","2025","12","2","","","10.1107/S2052252525001009","","","1.54184","CuKα","","0.036","0.0347","","0.0912","0.0901","0.0912","","","","","","0.9803","","","","has coordinates","297922","2025-02-28","03:21:20",""
"1574022","8.7047","0.0001","26.7487","0.0001","11.0627","0.0001","90","","111.236","0.0008","90","","2400.92","0.04","95","","95","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 N2 O2 -","- C25 H42 N2 O2 -","- C100 H168 N8 O8 -","4","1","LT5073","Zmeškalová, Eliška; Stara, František; Havlůjová, Tereza; Šoóš, Miroslav","Surface analysis of cannabigerol cocrystals: linking crystal structure to enhanced properties.","IUCrJ","2025","12","2","","","10.1107/S2052252525001009","","","1.54184","CuKα","","0.0473","0.0463","","0.1278","0.1266","0.1278","","","","","","0.8694","","","","has coordinates,has disorder","297922","2025-02-28","03:21:20",""
"1574023","4.5073","0.0001","11.4901","0.0001","36.7494","0.0003","90","","90","","90","","1903.23","0.05","95","","95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O2 -","- C21 H32 O2 -","- C84 H128 O8 -","4","1","LT5073","Zmeškalová, Eliška; Stara, František; Havlůjová, Tereza; Šoóš, Miroslav","Surface analysis of cannabigerol cocrystals: linking crystal structure to enhanced properties.","IUCrJ","2025","12","2","","","10.1107/S2052252525001009","","","1.54184","CuKα","","0.0377","0.037","","0.0959","0.0955","0.0959","","","","","","0.9908","","","","has coordinates","297922","2025-02-28","03:21:21",""
"1574024","13.9391","0.0009","11.2303","0.0007","20.3661","0.0013","90","","104.938","0.002","90","","3080.4","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 B N3 -","- C18 H18 B N3 -","- C144 H144 B8 N24 -","8","2","","Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan","Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.","Chemical science","2025","16","14","6023","6034","10.1039/d4sc08296f","","","0.71073","MoKα","","0.0777","0.0543","","","0.1597","0.2005","","","","","","1.243","","","","has coordinates","298831","2025-04-05","02:32:31",""
"1574025","4.7299","0.0007","10.3015","0.0015","13.5889","0.0019","90","","96.628","0.004","90","","657.69","0.16","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 B Cl N2 -","- C16 H12 B Cl N2 -","- C32 H24 B2 Cl2 N4 -","2","1","","Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan","Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.","Chemical science","2025","16","14","6023","6034","10.1039/d4sc08296f","","","0.71073","MoKα","","0.0306","0.0289","","","0.076","0.0824","","","","","","1.07","","","","has coordinates","298831","2025-04-05","02:32:32",""
"1574026","22.7941","0.0012","22.7941","0.0012","5.0803","0.0004","90","","90","","90","","2639.6","0.3","273","2","273","2","","","","","","","","5","I -4","I -4","82","","","","- C16 H12 B F N2 -","- C16 H12 B F N2 -","- C128 H96 B8 F8 N16 -","8","1","","Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan","Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.","Chemical science","2025","16","14","6023","6034","10.1039/d4sc08296f","","","0.71073","MoKα","","0.1079","0.0604","","","0.1401","0.1786","","","","","","1.177","","","","has coordinates","298831","2025-04-05","02:32:32",""
"1574027","12.963","0.009","6.412","0.004","16.767","0.011","90","","92.356","0.019","90","","1392.5","1.6","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 B Br N2 -","- C16 H12 B Br N2 -","- C64 H48 B4 Br4 N8 -","4","1","","Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan","Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.","Chemical science","2025","16","14","6023","6034","10.1039/d4sc08296f","","","0.71073","MoKα","","0.0521","0.0428","","","0.1296","0.1379","","","","","","1.061","","","","has coordinates","298831","2025-04-05","02:32:32",""
"1574028","8.2259","0.0007","26.151","0.002","19.2586","0.0017","90","","95.282","0.002","90","","4125.2","0.6","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 B N3 -","- C17 H12 B N3 -","- C204 H144 B12 N36 -","12","3","","Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan","Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.","Chemical science","2025","16","14","6023","6034","10.1039/d4sc08296f","","","0.71073","MoKα","","0.1229","0.0849","","","0.1557","0.1811","","","","","","1.154","","","","has coordinates","298831","2025-04-05","02:32:32",""
"1574029","64.631","0.016","22.2308","0.0018","32.333","0.004","90","","106.89","0.02","90","","44452","14","173","0.1","173","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C168 H168 Au36 S24 -","- C168 H165 Au36 S24 -","- C1344 H1320 Au288 S192 -","8","1","","Lin, Yan-Yan; Nan, Zi-Ang; Lei, Zhen; Wang, Quan-Ming","Efficient synthesis of Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters <i>via</i> the cluster-from-cluster approach.","Nanoscale","2025","17","14","8724","8730","10.1039/d5nr00203f","","","1.54178","CuKα","","0.1636","0.0819","","","0.2032","0.2675","","","","","","0.94","","","","has coordinates,has disorder","298981","2025-04-05","03:35:18",""
"1574030","25.2346","0.0002","25.2346","0.0002","17.8151","0.0002","90","","90","","90","","11344.4","0.18","173","0.1","173","0.1","","","","","","","","5","I -4","I -4","82","","","","- C168 H168 Au36 O24 S24 -","- C168 H168 Au36 O24 S24 -","- C336 H336 Au72 O48 S48 -","2","0.25","","Lin, Yan-Yan; Nan, Zi-Ang; Lei, Zhen; Wang, Quan-Ming","Efficient synthesis of Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters <i>via</i> the cluster-from-cluster approach.","Nanoscale","2025","17","14","8724","8730","10.1039/d5nr00203f","","","1.54184","CuKα","","0.0472","0.0468","","","0.128","0.1285","","","","","","1.095","","","","has coordinates","298981","2025-04-05","03:35:18",""
"1574031","19.579","0.0007","30.2707","0.0011","37.2286","0.0011","90","","94.218","0.003","90","","22004.5","1.3","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C192 H216 Au36 S24 -","- C192 H186 Au36 S24 -","- C768 H744 Au144 S96 -","4","1","","Lin, Yan-Yan; Nan, Zi-Ang; Lei, Zhen; Wang, Quan-Ming","Efficient synthesis of Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters <i>via</i> the cluster-from-cluster approach.","Nanoscale","2025","17","14","8724","8730","10.1039/d5nr00203f","","","1.54184","CuKα","","0.2292","0.0882","","","0.166","0.241","","","","","","0.914","","","","has coordinates","298981","2025-04-05","03:35:18",""
"1574032","20.1507","0.0003","61.3884","0.0007","20.3138","0.0005","90","","92.729","0.002","90","","25100.1","0.8","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C240 H168 Au36 S24 -","- C235 H157.5 Au36 S24 -","- C940 H630 Au144 S96 -","4","2","","Lin, Yan-Yan; Nan, Zi-Ang; Lei, Zhen; Wang, Quan-Ming","Efficient synthesis of Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters <i>via</i> the cluster-from-cluster approach.","Nanoscale","2025","17","14","8724","8730","10.1039/d5nr00203f","","","1.54178","CuKα","","0.103","0.0757","","","0.1843","0.2062","","","","","","1.003","","","","has coordinates,has disorder","298981","2025-04-05","03:35:18",""
"1574033","18.9703","0.0003","19.2923","0.0004","28.0221","0.0007","82.1999","0.0018","75.0794","0.0019","88.529","0.0014","9817.6","0.4","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C168 H168 Au36 S24 -","- C168 H162 Au36 S24 -","- C336 H324 Au72 S48 -","2","1","","Lin, Yan-Yan; Nan, Zi-Ang; Lei, Zhen; Wang, Quan-Ming","Efficient synthesis of Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters <i>via</i> the cluster-from-cluster approach.","Nanoscale","2025","17","14","8724","8730","10.1039/d5nr00203f","","","1.54184","CuKα","","0.1144","0.0685","","","0.1496","0.175","","","","","","1.019","","","","has coordinates,has disorder","298981","2025-04-05","03:35:18",""
"1574034","19.4037","0.0003","32.0462","0.0005","19.7066","0.0002","90","","90.054","0.001","90","","12253.9","0.3","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C192 H216 Au36 S24 -","- C192 H216 Au36 S24 -","- C384 H432 Au72 S48 -","2","1","","Lin, Yan-Yan; Nan, Zi-Ang; Lei, Zhen; Wang, Quan-Ming","Efficient synthesis of Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters <i>via</i> the cluster-from-cluster approach.","Nanoscale","2025","17","14","8724","8730","10.1039/d5nr00203f","","","1.54178","CuKα","","0.0561","0.0551","","","0.1429","0.1439","","","","","","1.031","","","","has coordinates","298981","2025-04-05","03:35:18",""
"1574035","19.0323","0.0004","19.229","0.0006","30.6431","0.0009","81.994","0.003","87.439","0.002","66.468","0.003","10180.9","0.5","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C144 H96 Au36 Cl24 S24 -","- C144 H96 Au36 Cl24 S24 -","- C288 H192 Au72 Cl48 S48 -","2","1","","Lin, Yan-Yan; Nan, Zi-Ang; Lei, Zhen; Wang, Quan-Ming","Efficient synthesis of Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters <i>via</i> the cluster-from-cluster approach.","Nanoscale","2025","17","14","8724","8730","10.1039/d5nr00203f","","","1.54184","CuKα","","0.1169","0.0812","","","0.2077","0.2379","","","","","","1.035","","","","has coordinates,has disorder","298981","2025-04-05","03:35:18",""
"1574036","15.37","0.003","5.4488","0.001","16.339","0.003","90","","117.426","0.007","90","","1214.6","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Coumarin ester","2-Oxo-2<i>H</i>-chromen-7-yl 3-methylbutanoate","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","BH4093","Abou, Akoun; Bazié, Hypolite; Akonan, Ludovic; Djandé, Abdoulaye; Francotte, Pierre","2-Oxo-2H-chromen-7-yl 3-methylbutanoate","IUCrData","2025","10","2","x250161","","10.1107/S2414314625001610","","","0.71073","MoKα","","0.0861","0.0659","","","0.1812","0.2025","","","","","","1.029","","","","has coordinates","300370","2025-07-05","10:15:09",""
"1574037","10.3372","0.0014","11.3286","0.0015","12.4559","0.0016","105.428","0.007","114.185","0.007","97.344","0.008","1235.3","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2,2'-[(4-Butoxyphenyl)methylene]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","","- C27 H36 O5 -","- C27 H36 O5 -","- C54 H72 O10 -","2","1","VM4064","Suresh Babu, N.; Anbu Chudar Azhagan, S.; Loganathan, B.; Sughanya, V.; Ayyappan, J.","2,2′-[(4-Butoxyphenyl)methylene]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","IUCrData","2025","10","2","x250180","","10.1107/S2414314625001804","","","0.71073","MoKα","","0.1289","0.0516","","","0.11","0.1445","","","","","","1.015","","","","has coordinates","300370","2025-07-05","10:15:10",""
"1574038","8.4924","0.0007","9.3927","0.0007","9.7799","0.0008","71.379","0.006","86.439","0.007","74.119","0.006","710.78","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","3-(2-Ethoxy-2-oxoethyl)-4,5,6,7,8,9-hexahydrocycloocta[<i>d</i>][1,2,3]selenadiazol-3-ium bromide","","- C12 H19 Br N2 O2 Se -","- C12 H19 Br N2 O2 Se -","- C24 H38 Br2 N4 O4 Se2 -","2","1","BT4164","Schollmeyer, Dieter; Detert, Heiner","3-(2-Ethoxy-2-oxoethyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,2,3]selenadiazol-3-ium bromide","IUCrData","2025","10","2","x250143","","10.1107/S2414314625001439","","","0.71073","MoKα","","0.0394","0.0354","","","0.0927","0.0963","","","","","","1.098","","","","has coordinates","300370","2025-07-05","10:15:19",""
"1574039","5.872","0.003","7.735","0.003","20.137","0.003","98.57","0.02","97.62","0.02","91.31","0.03","895.6","0.6","149.99","0.1","149.99","0.1","","","","","","","","5","P 1","P 1","1","","","","- C20 H17 Cl N2 O3 -","- C20 H17 Cl N2 O3 -","- C40 H34 Cl2 N4 O6 -","2","2","","Tian, Jiabao; Ling, Jiahao; Wang, Yanan; Zhou, Lei","Blue light-induced diazo cross-coupling: synthesis of allyldiazo compounds through reshuffling of functionalities.","Chemical science","2025","16","13","5701","5706","10.1039/d5sc00277j","","x-ray","1.54184","CuKα","","0.0641","0.0582","","","0.1722","0.1779","","","","","","1.079","","","","has coordinates","298803","2025-04-05","02:23:34",""
"1574040","7.6916","0.0004","5.838","0.0003","40.645","0.002","90","","90","","90","","1825.11","0.16","150","","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H17 Cl N2 O3 -","- C20 H17 Cl N2 O3 -","- C80 H68 Cl4 N8 O12 -","4","1","","Tian, Jiabao; Ling, Jiahao; Wang, Yanan; Zhou, Lei","Blue light-induced diazo cross-coupling: synthesis of allyldiazo compounds through reshuffling of functionalities.","Chemical science","2025","16","13","5701","5706","10.1039/d5sc00277j","","","1.34138","GaKα","","0.036","0.0312","","","0.0825","0.0851","","","","","","1.086","","","","has coordinates","298803","2025-04-05","02:23:34",""
"1574041","20.171","0.005","9.765","0.004","39.079","0.011","90","","99.308","0.011","90","","7596","4","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H19 Cl N2 O3 -","- C21 H19 Cl N2 O3 -","- C336 H304 Cl16 N32 O48 -","16","4","","Tian, Jiabao; Ling, Jiahao; Wang, Yanan; Zhou, Lei","Blue light-induced diazo cross-coupling: synthesis of allyldiazo compounds through reshuffling of functionalities.","Chemical science","2025","16","13","5701","5706","10.1039/d5sc00277j","","","1.34138","GaKα","","0.0745","0.0588","","","0.1624","0.1768","","","","","","1.088","","","","has coordinates","298803","2025-04-05","02:23:34",""
"1574042","9.9528","0.0003","10.6897","0.0003","16.8353","0.0005","90","","90","","90","","1791.15","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N O P -","- C18 H22 N O P -","- C72 H88 N4 O4 P4 -","4","1","","Zhang, Jialiang; Guo, Jiajia; Xu, Ruhui; Zheng, Di; Lian, Kai; Zhang, Zhaoxia; Cao, Shanshan; Jiang, Zhiyong","Asymmetric copper-catalyzed hydrophosphinylation of ethynylazaarenes to access <i>P</i>-chiral 2-azaaryl-ethylphosphine oxides.","Chemical science","2025","16","14","5957","5966","10.1039/d5sc00358j","","x-ray","1.54184","CuKα","","0.0546","0.0506","","","0.135","0.1411","","","","","","1.058","","","","has coordinates","298830","2025-04-05","02:32:18",""
"1574043","7.5983","0.0002","14.6061","0.0003","25.287","0.0006","90","","90","","90","","2806.39","0.11","296.15","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","orthorhombic","","- C31 H48 O4 -","- C31 H48 O4 -","- C124 H192 O16 -","4","1","","Dethe, Dattatraya H.; Siddiqui, Salman A.; Singha, Chirantan","Biomimetic syntheses of kadcoccitane H and kadcotrione C methyl ester.","Chemical science","2025","16","14","6099","6103","10.1039/d5sc00669d","","","0.71073","MoKα","","0.0518","0.0457","","","0.1201","0.124","","","","","","1.0373","","","","has coordinates","298827","2025-04-05","02:30:42",""
"1574044","12.1955","0.0007","27.6141","0.0012","7.7042","0.0004","90","","93.382","0.004","90","","2590","0.2","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9.82 H5.45 Ce0.36 O2.18 -","- C9.81818 H5.45455 Ce0.363636 O2.18182 -","- C108 H60 Ce4 O24 -","11","2.75","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.1586","0.0745","","","0.1236","0.161","","","","","","1.032","","","","has coordinates","297953","2025-03-04","00:56:23",""
"1574045","12.1008","0.0004","27.7464","0.0008","7.8237","0.0002","90","","93.673","0.003","90","","2621.44","0.13","120.15","","120.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15.8 La O6.4 -","- C27 H15 La O6 -","- C108 H60 La4 O24 -","4","1","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.1508","0.0956","","","0.2867","0.3031","","","","","","1.122","","","","has coordinates","297953","2025-03-04","00:56:25",""
"1574046","8.0212","0.0005","26.89","0.002","16.3817","0.0018","90","","92.297","0.008","90","","3530.5","0.5","120","0.1","120","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H37 Dy N3 O9.5 -","- C36 H37 Dy N3 O9.5 -","- C144 H148 Dy4 N12 O38 -","4","2","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.0735","0.0505","","","0.0734","0.0785","","","","","","0.79","","","","has coordinates","297953","2025-03-04","00:56:25",""
"1574047","16.7495","0.0003","26.5927","0.0006","8.4965","0.0002","90","","95.014","0.002","90","","3769.98","0.14","119.8","0.3","119.8","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35.26 H34.26 La N2.75 O8.75 -","- C32.25 H27.25 La N1.75 O7.75 -","- C129 H109 La4 N7 O31 -","4","1","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.1155","0.0811","","","0.1908","0.2083","","","","","","1.047","","","","has coordinates,has disorder","297953","2025-03-04","00:56:27",""
"1574048","15.0013","0.0006","27.7449","0.0009","16.1774","0.0009","90","","97.287","0.004","90","","6678.8","0.5","119.5","0.8","119.5","0.8","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.3 H29.7 La N2.1 O8.1 -","- C31.5 H25.5 La N1.5 O7.5 -","- C252 H204 La8 N12 O60 -","8","2","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.1347","0.0807","","","0.2073","0.231","","","","","","0.978","","","","has coordinates,has disorder","297953","2025-03-04","00:56:30",""
"1574049","15.0438","0.0003","28.0476","0.0006","16.0831","0.0004","90","","97.259","0.002","90","","6731.8","0.3","119.9","0.8","119.9","0.8","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H27.5 N1.5 O8.5 Pr -","- C31.5 H25.5 N1.5 O7.5 Pr -","- C252 H204 N12 O60 Pr8 -","8","2","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.0755","0.0503","","","0.1059","0.1209","","","","","","1.052","","","","has coordinates,has disorder","297953","2025-03-04","00:56:31",""
"1574050","15.0927","0.0003","27.9263","0.0005","16.165","0.0003","90","","97.249","0.002","90","","6758.8","0.2","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.55 H27.95 Ce N1.85 O7.85 -","- C31.5 H25.5 Ce N1.5 O7.5 -","- C252 H204 Ce8 N12 O60 -","8","2","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.0734","0.047","","","0.1102","0.1214","","","","","","1.046","","","","has coordinates,has disorder","297953","2025-03-04","00:56:33",""
"1574051","15.4232","0.0006","20.5544","0.0009","32.285","0.0011","90","","94.546","0.004","90","","10202.6","0.7","119.99","0.1","119.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28.32 H21.49 La N0.44 O8.15 -","- C28.3035 H18.6725 La N0.4345 O6.75 -","- C452.856 H298.76 La16 N6.952 O108 -","16","4","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","1.54184","CuKα","","0.136","0.1061","","","0.2785","0.3143","","","","","","1.216","","","","has coordinates,has disorder","297953","2025-03-04","00:56:34",""
"1574052","15.3286","0.0003","20.5857","0.0004","32.2184","0.0004","90","","94.423","0.001","90","","10136.2","0.3","119.4","0.9","119.4","0.9","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28.5 H19 Ce N0.5 O6.75 -","- C28.5 H19 Ce N0.5 O6.75 -","- C456 H304 Ce16 N8 O108 -","16","4","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.1181","0.0795","","","0.1942","0.2288","","","","","","1.022","","","","has coordinates,has disorder","297953","2025-03-04","00:56:34",""
"1574053","8.6278","0.0004","12.3083","0.0006","10.9519","0.0005","90","","95.711","0.003","90","","1157.25","0.09","273","2","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 N O2 -","- C30 H27 N O2 -","- C60 H54 N2 O4 -","2","1","","He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.","Chemical science","2025","16","7","3124","3129","10.1039/d4sc07823c","","","1.54178","CuKα","","0.0437","0.038","","","0.0971","0.1013","","","","","","1.077","","","","has coordinates","297954","2025-03-04","00:58:52",""
"1574054","7.4687","0.0015","12.636","0.002","14.057","0.003","86.841","0.007","76.742","0.007","75.308","0.007","1249","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 N2 O4 S -","- C29 H28 N2 O4 S -","- C58 H56 N4 O8 S2 -","2","1","","He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.","Chemical science","2025","16","7","3124","3129","10.1039/d4sc07823c","","","0.71073","MoKα","","0.1265","0.0965","","","0.2626","0.2881","","","","","","1.113","","","","has coordinates","297954","2025-03-04","00:58:53",""
"1574055","9.9196","0.001","9.9973","0.0009","11.8824","0.0011","91.791","0.004","104.104","0.004","102.384","0.003","1111.91","0.18","227","2","227","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 F3 N O2 -","- C28 H20 F3 N O2 -","- C56 H40 F6 N2 O4 -","2","1","","He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.","Chemical science","2025","16","7","3124","3129","10.1039/d4sc07823c","","","0.71073","MoKα","","0.1065","0.0703","","","0.1888","0.2161","","","","","","1.055","","","","has coordinates","297954","2025-03-04","00:58:53",""
"1574056","12.4257","0.0006","12.4257","0.0006","42.988","0.004","90","","90","","90","","6637.3","0.8","303","2","303","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H32 N2 O3 S -","- C36 H32 N2 O3 S -","- C288 H256 N16 O24 S8 -","8","1","","He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.","Chemical science","2025","16","7","3124","3129","10.1039/d4sc07823c","","","0.71073","MoKα","","0.1202","0.0542","","","0.1043","0.1296","","","","","","0.985","","","","has coordinates","297954","2025-03-04","00:58:53",""
"1574057","21.731","0.004","9.151","0.0015","34.748","0.007","90","","107.204","0.009","90","","6601","2","304","2","304","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H34 N2 O4 -","- C43 H34 N2 O4 -","- C344 H272 N16 O32 -","8","1","","He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.","Chemical science","2025","16","7","3124","3129","10.1039/d4sc07823c","","","0.71073","MoKα","","0.1959","0.0831","","","0.1892","0.247","","","","","","1.025","","","","has coordinates","297954","2025-03-04","00:58:53",""
"1574058","20.1424","0.0008","10.949","0.0003","13.4777","0.0004","90","","90","","90","","2972.36","0.17","213","2","213","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C33 H34 Cr O4 P2 -","- C33 H34 Cr O4 P2 -","- C132 H136 Cr4 O16 P8 -","4","1","","Zhao, Xing; Xie, Haojie; Zuo, Jing; Wang, Jihe; Zhao, Mei-Xin; Zhang, Jun","PCCP ligands with a semi-rigid backbone for chromium-catalyzed selective ethylene tri-/tetramerization","Catalysis Science & Technology","2025","15","9","2713","2721","10.1039/D5CY00152H","","","0.71073","MoKα","","0.0372","0.0308","","","0.0647","0.0682","","","","","","1.049","","","","has coordinates","300392","2025-07-06","12:38:50",""
"1574059","11.6589","0.0003","9.9032","0.0002","14.3096","0.0003","90","","112.88","0.001","90","","1522.2","0.06","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H28 Cr O4 P2 -","- C33 H28 Cr O4 P2 -","- C66 H56 Cr2 O8 P4 -","2","1","","Zhao, Xing; Xie, Haojie; Zuo, Jing; Wang, Jihe; Zhao, Mei-Xin; Zhang, Jun","PCCP ligands with a semi-rigid backbone for chromium-catalyzed selective ethylene tri-/tetramerization","Catalysis Science & Technology","2025","15","9","2713","2721","10.1039/D5CY00152H","","","1.54178","CuKα","","0.056","0.0495","","","0.1228","0.1293","","","","","","1.039","","","","has coordinates","300392","2025-07-06","12:38:52",""
"1574060","6.35385","0.00012","7.76034","0.00015","16.0686","0.0003","92.9757","0.0016","90.6187","0.0017","101.846","0.0016","774.2","0.03","173","","173","","","","","","","","","4","P 1","P 1","1","","methyl 4-((2R,3R)-2-(dimethoxyphosphoryl)-3-methyl-4-oxooxetan-2-yl)benzoate","","- C14 H17 O7 P -","- C14 H17 O7 P -","- C28 H34 O14 P2 -","2","2","","Platt, Ffion M.; Wang, Yihong; Cordes, David B.; McKay, Aidan P.; Slawin, Alexandra M. Z.; Panchal, Heena; Smith, Andrew D.","Isothiourea-catalysed enantioselective synthesis of phosphonate-functionalised β-lactones","Chemical Science","2025","16","16","6828","6836","10.1039/D5SC00322A","","x-ray","0.71073","MoKα","","0.0432","0.0368","","","0.0851","0.0876","","","","","","1.025","","","","has coordinates","300604","2025-07-06","14:16:08",""
"1574061","6.279","0.0002","8.1645","0.0003","30.231","0.001","90","","90","","90","","1549.79","0.09","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dimethyl ((2R,3R)-3-methyl-2-naphthalen-2-yl-4-oxooxetan-2-yl)phosphonate","","- C16 H17 O5 P -","- C16 H17 O5 P -","- C64 H68 O20 P4 -","4","1","","Platt, Ffion M.; Wang, Yihong; Cordes, David B.; McKay, Aidan P.; Slawin, Alexandra M. Z.; Panchal, Heena; Smith, Andrew D.","Isothiourea-catalysed enantioselective synthesis of phosphonate-functionalised β-lactones","Chemical Science","2025","16","16","6828","6836","10.1039/D5SC00322A","","x-ray","1.54184","CuKα","","0.0473","0.0446","","","0.1114","0.1135","","","","","","1.01","","","","has coordinates","300604","2025-07-06","14:16:12",""
"1574062","10.3633","0.0005","7.8457","0.0003","12.019","0.0006","90","","110.666","0.006","90","","914.35","0.08","125","","125","","","","","","","","","5","P 1 21 1","P 2yb","4","","dimethyl ((2R,3R)-3-(benzo[b]thiophen-3-yl)-4-oxo-2-phenyloxetan-2-yl)phosphonate","","- C19 H17 O5 P S -","- C19 H17 O5 P S -","- C38 H34 O10 P2 S2 -","2","1","","Platt, Ffion M.; Wang, Yihong; Cordes, David B.; McKay, Aidan P.; Slawin, Alexandra M. Z.; Panchal, Heena; Smith, Andrew D.","Isothiourea-catalysed enantioselective synthesis of phosphonate-functionalised β-lactones","Chemical Science","2025","16","16","6828","6836","10.1039/D5SC00322A","","x-ray","1.54184","CuKα","","0.0745","0.0621","","","0.1613","0.1855","","","","","","1.138","","","","has coordinates","300604","2025-07-06","14:16:22",""
"1574063","12.3931","0.0003","13.0388","0.0003","22.218","0.0007","75.614","0.002","85.704","0.002","77.205","0.002","3390.55","0.16","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C84 H69 Cs4 O3 -","- C84 H69 Cs4 O3 -","- C168 H138 Cs8 O6 -","2","1","","Shen, Yongbing; Cui, Mengxing; Zhang, Haitao; Guo, Hanjie; Nakamura, Jumpei G.; Embs, Jan Peter; Zhao, Jinkui; Yamashita, Masahiro; Fu, Zhendong","Signatures of the quantum spin liquid state in triangular-based zig-zag polyaromatic hydrocarbon radicals","Chemical Science","2025","16","15","6345","6354","10.1039/D4SC08462D","","","0.71073","MoKα","","0.0578","0.0516","","","0.1345","0.1391","","","","","","1.057","","","","has coordinates","300634","2025-07-06","14:31:09",""
"1574064","7.5573","0.0008","15.3477","0.0016","16.6274","0.0018","90","","94.566","0.002","90","","1922.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cd2 Cl5 N O2 -","- C12 H18 Cd2 Cl5 N O2 -","- C48 H72 Cd8 Cl20 N4 O8 -","4","1","","Zhang, Ke; Qi, Zhikai; Zhang, Nan; Zhao, Xingxing; Fan, Yanli; Sun, Long; Zhou, Guojun; Li, Shi-Li; Zhang, Xian-Ming","Efficient energy transfer from organic triplet states to Mn<sup>2+</sup> dopants for dynamic tunable multicolor afterglow in 1D hybrid cadmium chloride.","Chemical science","2025","16","14","6104","6113","10.1039/d4sc08718f","","x-ray","0.71073","MoKα","","0.0597","0.0474","","","0.1323","0.1386","","","","","","1.191","","","","has coordinates","298789","2025-04-05","02:20:02",""
"1574065","15.4238","0.0013","16.1528","0.0014","18.2354","0.0016","90","","111.508","0.002","90","","4226.8","0.6","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chlorido{2-[(4-chlorophenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}(η^6^-toluene)ruthenium(II) hexafluoridophosphate","","- C19 H17 Cl2 F6 N2 P Ru -","- C19 H17 Cl2 F6 N2 P Ru -","- C152 H136 Cl16 F48 N16 P8 Ru8 -","8","2","BH4091","Gichumbi, Joel; Friedrich, Holger B.; Zamisa, Sizwe J.","Chlorido{2-[(4-chlorophenyl)iminomethyl]pyridine-κ2 N,N′}(η6-toluene)ruthenium(II) hexafluoridophosphate","IUCrData","2025","10","3","x250103","","10.1107/S2414314625001038","","x-ray","0.71073","MoKα","","0.0603","0.0381","","","0.0795","0.0891","","","","","","1.031","","","","has coordinates,has disorder","300370","2025-07-05","10:15:19",""
"1574066","3.806","","3.806","","3.806","","90","","90","","90","","55.132","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","O3 Sr Mn","","","- Mn O3 Sr -","- Mn0.333333 O Sr0.333333 -","- Mn O3 Sr -","3","0.0625","","Lebeda, Miroslav; Drahokoupil, Jan; Kamba, Stanislav; Svoboda, Šimon; Smola, Vojtěch; Dabrowski, Bogdan; Vlčák, Petr","Lattice parameters and bulk modulus of SrTi1-xMnxO3 perovskites: A comparison of exchange-correlation functionals with experimental validation","Computational Condensed Matter","2025","43","","e01030","","10.1016/j.cocom.2025.e01030","","","","","","","","","","","","","","","","","","","","","has coordinates","298324","2025-03-07","14:09:51",""
"1574067","3.9059","","3.9059","","3.9059","","90","","90","","90","","59.589","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- O3 Sr Ti -","- O Sr0.333333 Ti0.333333 -","- O3 Sr Ti -","3","0.0625","","Lebeda, Miroslav; Drahokoupil, Jan; Kamba, Stanislav; Svoboda, Šimon; Smola, Vojtěch; Dabrowski, Bogdan; Vlčák, Petr","Lattice parameters and bulk modulus of SrTi1-xMnxO3 perovskites: A comparison of exchange-correlation functionals with experimental validation","Computational Condensed Matter","2025","43","","e01030","","10.1016/j.cocom.2025.e01030","","","","","","","","","","","","","","","","","","","","","has coordinates","298323","2025-03-07","14:07:52",""
"1574068","3.8959","","3.8959","","3.8959","","90","","90","","90","","59.132","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Mn0.1 O3 Sr Ti0.9 -","- Mn0.025 O0.75 Sr0.25 Ti0.225 -","- Mn0.1 O3 Sr Ti0.9 -","4","0.0833333","","Lebeda, Miroslav; Drahokoupil, Jan; Kamba, Stanislav; Svoboda, Šimon; Smola, Vojtěch; Dabrowski, Bogdan; Vlčák, Petr","Lattice parameters and bulk modulus of SrTi1-xMnxO3 perovskites: A comparison of exchange-correlation functionals with experimental validation","Computational Condensed Matter","2025","43","","e01030","","10.1016/j.cocom.2025.e01030","","","","","","","","","","","","","","","","","","","","","has coordinates","298322","2025-03-07","14:04:47",""
"1574069","3.8874","","3.8874","","3.8874","","90","","90","","90","","58.746","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Mn0.2 O3 Sr Ti0.8 -","- Mn0.05 O0.75 Sr0.25 Ti0.2 -","- Mn0.2 O3 Sr Ti0.8 -","4","0.0833333","","Lebeda, Miroslav; Drahokoupil, Jan; Kamba, Stanislav; Svoboda, Šimon; Smola, Vojtěch; Dabrowski, Bogdan; Vlčák, Petr","Lattice parameters and bulk modulus of SrTi1-xMnxO3 perovskites: A comparison of exchange-correlation functionals with experimental validation","Computational Condensed Matter","2025","43","","e01030","","10.1016/j.cocom.2025.e01030","","","","","","","","","","","","","","","","","","","","","has coordinates","298325","2025-03-07","14:13:38",""
"1574070","3.876","","3.876","","3.876","","90","","90","","90","","58.231","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Mn0.3 O3 Sr Ti0.7 -","- Mn0.075 O0.75 Sr0.25 Ti0.175 -","- Mn0.3 O3 Sr Ti0.7 -","4","0.0833333","","Lebeda, Miroslav; Drahokoupil, Jan; Kamba, Stanislav; Svoboda, Šimon; Smola, Vojtěch; Dabrowski, Bogdan; Vlčák, Petr","Lattice parameters and bulk modulus of SrTi1-xMnxO3 perovskites: A comparison of exchange-correlation functionals with experimental validation","Computational Condensed Matter","2025","43","","e01030","","10.1016/j.cocom.2025.e01030","","","","","","","","","","","","","","","","","","","","","has coordinates","298326","2025-03-07","14:17:04",""
"1574071","3.8602","","3.8602","","3.8602","","90","","90","","90","","57.521","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Mn0.5 O3 Sr Ti0.5 -","- Mn0.125 O0.75 Sr0.25 Ti0.125 -","- Mn0.5 O3 Sr Ti0.5 -","4","0.0833333","","Lebeda, Miroslav; Drahokoupil, Jan; Kamba, Stanislav; Svoboda, Šimon; Smola, Vojtěch; Dabrowski, Bogdan; Vlčák, Petr","Lattice parameters and bulk modulus of SrTi1-xMnxO3 perovskites: A comparison of exchange-correlation functionals with experimental validation","Computational Condensed Matter","2025","43","","e01030","","10.1016/j.cocom.2025.e01030","","","","","","","","","","","","","","","","","","","","","has coordinates","298327","2025-03-07","14:19:25",""
"1574072","21.5561","0.0003","9.39102","0.00013","19.5924","0.0003","90","","106.024","0.0016","90","","3812.06","0.1","296.18","0.1","296.18","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","WY","","- C44.22 H41 Cl1.78 F2 N2 Pd -","- C44.229 H41 Cl1.771 F2 N2 Pd -","- C176.916 H164 Cl7.084 F8 N8 Pd4 -","4","1","","Wang, Yan; Dai, Shengyu","Exploring the o-aryl halogen effects of α-diimine Pd(ii) catalysts on ethylene (co)polymerization","Catalysis Science & Technology","2025","15","9","2822","2828","10.1039/D5CY00187K","","x-ray","1.54184","CuKα","","0.0758","0.0734","","","0.2296","0.233","","","","","","1.107","","","","has coordinates,has disorder","300391","2025-07-06","12:38:39",""
"1574073","23.2436","0.0003","18.9817","0.0003","13.9956","0.0002","90","","90","","90","","6174.9","0.15","150","2","150","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C32 H56 B10 Ga I2 N4 Si2 -","- C32 H56 B10 Ga I2 N4 Si2 -","- C128 H224 B40 Ga4 I8 N16 Si8 -","4","0.25","","Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias","Redox non-innocent bis-silylene aluminium complexes with a carborane backbone","Chemical Science","2025","16","15","6383","6391","10.1039/D5SC01104C","","","0.71073","MoKα","","0.0418","0.038","","","0.1049","0.1084","","","","","","1.065","","","","has coordinates","300637","2025-07-06","14:32:02",""
"1574074","12.2257","0.0003","13.2295","0.0004","17.0355","0.0007","109.939","0.003","102.833","0.003","100.765","0.003","2419.65","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H56 Al2 B10 I3 N4 Si2 -","- C32 H56 Al2 B10 I3 N4 Si2 -","- C64 H112 Al4 B20 I6 N8 Si4 -","2","1","","Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias","Redox non-innocent bis-silylene aluminium complexes with a carborane backbone","Chemical Science","2025","16","15","6383","6391","10.1039/D5SC01104C","","","1.54184","CuKα","","0.0572","0.0482","","","0.125","0.1349","","","","","","1.044","","","","has coordinates","300637","2025-07-06","14:32:03",""
"1574075","14.6482","0.0007","14.829","0.0007","18.4781","0.001","105.669","0.004","106.625","0.005","100.731","0.004","3548.9","0.4","150.2","0.4","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H72 Al B10 I2 N4 Si2 -","- C46 H72 Al B10 I2 N4 Si2 -","- C92 H144 Al2 B20 I4 N8 Si4 -","2","1","","Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias","Redox non-innocent bis-silylene aluminium complexes with a carborane backbone","Chemical Science","2025","16","15","6383","6391","10.1039/D5SC01104C","","","1.54184","CuKα","","0.0753","0.0534","","","0.1353","0.1537","","","","","","0.975","","","","has coordinates","300637","2025-07-06","14:32:03",""
"1574076","14.7194","0.0003","30.6034","0.0007","15.2868","0.0003","90","","94.863","0.002","90","","6861.4","0.3","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C48 H96 Al B10 I2 K N4 O4 Si2 -","- C48 H96 Al B10 I2 K N4 O4 Si2 -","- C192 H384 Al4 B40 I8 K4 N16 O16 Si8 -","4","1","","Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias","Redox non-innocent bis-silylene aluminium complexes with a carborane backbone","Chemical Science","2025","16","15","6383","6391","10.1039/D5SC01104C","","","1.54184","CuKα","","0.0664","0.0491","","","0.1228","0.1372","","","","","","1.01","","","","has coordinates","300637","2025-07-06","14:32:03",""
"1574077","14.4094","0.0004","17.2943","0.0004","23.7145","0.0006","90","","92.257","0.003","90","","5905.1","0.3","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 Al2 B10 I6 N4 Si2 -","- C32 H56 Al2 B10 I6 N4 Si2 -","- C128 H224 Al8 B40 I24 N16 Si8 -","4","1","","Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias","Redox non-innocent bis-silylene aluminium complexes with a carborane backbone","Chemical Science","2025","16","15","6383","6391","10.1039/D5SC01104C","","","1.54184","CuKα","","0.0787","0.0489","","","0.1138","0.1288","","","","","","1.02","","","","has coordinates,has disorder","300637","2025-07-06","14:32:03",""
"1574078","21.7751","0.001","15.1015","0.0003","24.8744","0.0009","90","","109.723","0.004","90","","7699.8","0.5","150","0.1","150.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H100 Al B10 K N4 O2 Si2 -","- C58 H100 Al B10 K N4 O2 Si2 -","- C232 H400 Al4 B40 K4 N16 O8 Si8 -","4","1","","Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias","Redox non-innocent bis-silylene aluminium complexes with a carborane backbone","Chemical Science","2025","16","15","6383","6391","10.1039/D5SC01104C","","","1.54184","CuKα","","0.1177","0.0845","","","0.2126","0.2445","","","","","","1.021","","","","has coordinates,has disorder","300637","2025-07-06","14:32:03",""
"1574079","11.2341","0.0005","13.2688","0.0006","17.1255","0.0008","67.622","0.001","89.72","0.001","65.448","0.001","2111.14","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N2 Pt S -","- C26 H18 N2 Pt S -","- C104 H72 N8 Pt4 S4 -","4","2","","Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.","Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.","Chemical science","2025","16","14","5948","5956","10.1039/d4sc08205b","","","0.71073","MoKα","","0.0173","0.0139","","","0.0304","0.0314","","","","","","1.041","","","","has coordinates","298786","2025-04-05","02:18:41",""
"1574080","10.8444","0.001","11.2925","0.001","18.702","0.0017","90","","96.706","0.002","90","","2274.6","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 Pt S -","- C28 H22 N2 Pt S -","- C112 H88 N8 Pt4 S4 -","4","1","","Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.","Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.","Chemical science","2025","16","14","5948","5956","10.1039/d4sc08205b","","","0.71073","MoKα","","0.0151","0.0133","","","0.0286","0.029","","","","","","1.104","","","","has coordinates","298786","2025-04-05","02:18:42",""
"1574081","7.9676","0.0005","11.994","0.0007","12.5963","0.0007","117.424","0.001","97.964","0.002","90.392","0.002","1054.74","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","C26H18N2OPtS","","- C26 H18 N2 O Pt S -","- C26 H18 N2 O Pt S -","- C52 H36 N4 O2 Pt2 S2 -","2","1","","Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.","Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.","Chemical science","2025","16","14","5948","5956","10.1039/d4sc08205b","","","0.71073","MoKα","","0.0227","0.0191","","","0.0396","0.0403","","","","","","1.076","","","","has coordinates","298786","2025-04-05","02:18:42",""
"1574082","10.5828","0.0008","26.522","0.002","9.987","0.0008","90","","99.343","0.002","90","","2765.9","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl2 N2 O2 Pt S -","- C30 H26 Cl2 N2 O2 Pt S -","- C120 H104 Cl8 N8 O8 Pt4 S4 -","4","1","","Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.","Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.","Chemical science","2025","16","14","5948","5956","10.1039/d4sc08205b","","","0.71073","MoKα","","0.0329","0.0229","","","0.0378","0.0398","","","","","","1.058","","","","has coordinates","298786","2025-04-05","02:18:42",""
"1574083","9.2869","0.0007","12.7332","0.0009","21.2615","0.0015","89.275","0.002","82.262","0.002","71.515","0.002","2361.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 N2 O Pt S -","- C28 H22 N2 O Pt S -","- C112 H88 N8 O4 Pt4 S4 -","4","2","","Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.","Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.","Chemical science","2025","16","14","5948","5956","10.1039/d4sc08205b","","","0.71073","MoKα","","0.0269","0.021","","","0.0454","0.0473","","","","","","1.036","","","","has coordinates","298786","2025-04-05","02:18:42",""
"1574084","8.94497","0.00013","7.9358","0.00013","12.43051","0.00018","90","","93.4456","0.0015","90","","880.79","0.02","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[bis(pyrazine)-tetrahydrofurane-diiodo-samarium(iii)]","","- C12 H16 I2 N4 O Sm -","- C12 H16 I2 N4 O Sm -","- C24 H32 I4 N8 O2 Sm2 -","2","0.5","","Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.","Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism","Chemical Science","2025","16","16","6879","6885","10.1039/D5SC01246E","","x-ray","1.54184","CuKα","","0.055","0.0504","","","0.1331","0.14","","","","","","1.041","","","","has coordinates,has disorder","300609","2025-07-06","14:18:15",""
"1574085","9.0249","0.0003","8.0968","0.0003","12.6429","0.0004","90","","94.567","0.003","90","","920.92","0.05","230","0.1","230","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[bis(pyrazine)-tetrahydrofuran-diiodo-samarium(ii)","","- C12 H16 I2 N4 O Sm -","- C12 H16 I2 N4 O Sm -","- C24 H32 I4 N8 O2 Sm2 -","2","0.5","","Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.","Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism","Chemical Science","2025","16","16","6879","6885","10.1039/D5SC01246E","","x-ray","1.54184","CuKα","","0.0567","0.0499","","","0.1382","0.1494","","","","","","1.044","","","","has coordinates,has disorder","300609","2025-07-06","14:18:16",""
"1574086","9.0739","0.0001","8.2039","0.0001","12.7161","0.0001","90","","94.74","0.001","90","","943.366","0.017","294.99","0.1","294.99","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[bis(pyrazine)-tetrahydrofuran-diiodo-samarium(ii)]","","- C12 H16 I2 N4 O Sr -","- C12 H16 I2 N4 O Sr -","- C24 H32 I4 N8 O2 Sr2 -","2","0.5","","Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.","Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism","Chemical Science","2025","16","16","6879","6885","10.1039/D5SC01246E","","x-ray","1.54184","CuKα","","0.0365","0.0364","","","0.1039","0.1042","","","","","","1.087","","","","has coordinates,has disorder","300609","2025-07-06","14:18:17",""
"1574087","8.9739","0.0001","7.9879","0.0001","12.6087","0.0002","90","","94.22","0.002","90","","901.37","0.02","294.99","0.1","294.99","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[bis(pyrazine)-tetrahydrofuran-diiodo-calcium(ii)]","","- C12 H16 Ca I2 N4 O -","- C12 H16 Ca I2 N4 O -","- C24 H32 Ca2 I4 N8 O2 -","2","0.5","","Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.","Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism","Chemical Science","2025","16","16","6879","6885","10.1039/D5SC01246E","","x-ray","1.54184","CuKα","","0.0333","0.0276","","","0.0658","0.0697","","","","","","1.034","","","","has coordinates,has disorder","300609","2025-07-06","14:18:25",""
"1574088","9.07712","0.00019","8.15614","0.00016","12.7219","0.0003","90","","94.6744","0.0019","90","","938.72","0.03","295","0.1","295","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[bis(pyrazine)-tetrahydrofuran-diiodo-samarium(ii)]","","- C12 H16 I2 N4 O Sm -","- C12 H16 I2 N4 O Sm -","- C24 H32 I4 N8 O2 Sm2 -","2","0.5","","Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.","Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism","Chemical Science","2025","16","16","6879","6885","10.1039/D5SC01246E","","x-ray","1.54184","CuKα","","0.0405","0.0355","","","0.0948","0.1024","","","","","","1.033","","","","has coordinates,has disorder","300609","2025-07-06","14:18:26",""
"1574089","14.2539","0.0012","17.2346","0.0016","17.3593","0.0017","106.528","0.003","102.26","0.003","90.213","0.003","3985.7","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","salt [1](I)2","","- C39 H42 I2 N6 O4 -","- C39 H42 I2 N6 O4 -","- C156 H168 I8 N24 O16 -","4","2","","Martínez-Vivas, Sebastián; Poyatos, Macarena; Peris, Eduardo","Fluoride-induced redox-switchable behaviour of a palladium(ii)/(iv) couple","Chemical Science","2025","16","15","6257","6264","10.1039/D4SC08203F","","","0.71073","MoKα","","0.0799","0.0706","","","0.1776","0.1843","","","","","","1.088","","","","has coordinates","300638","2025-07-06","14:33:42",""
"1574090","11.0685","0.0006","27.3218","0.001","14.8974","0.0006","90","","110.129","0.005","90","","4230","0.4","270","5","270","5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","complex 7","","- C40 H42 Br3 Cl2 N6 O4 Pd -","- C40 H42 Br3 Cl2 N6 O4 Pd -","- C160 H168 Br12 Cl8 N24 O16 Pd4 -","4","1","","Martínez-Vivas, Sebastián; Poyatos, Macarena; Peris, Eduardo","Fluoride-induced redox-switchable behaviour of a palladium(ii)/(iv) couple","Chemical Science","2025","16","15","6257","6264","10.1039/D4SC08203F","","x-ray","1.54184","CuKα","","0.1157","0.0791","","","0.213","0.2549","","","","","","1.04","","","","has coordinates","300638","2025-07-06","14:33:43",""
"1574091","13.7465","0.0005","13.7475","0.0005","21.0944","0.0009","72.438","0.004","78.222","0.004","81.747","0.003","3706.2","0.3","200","0.14","200","0.14","","","","","","","","8","P -1","-P 1","2","","str2238","","- C76 H55 B Cl F26 N7 O4 Pd -","- C76 H55 B Cl F26 N7 O4 Pd -","- C152 H110 B2 Cl2 F52 N14 O8 Pd2 -","2","1","","Martínez-Vivas, Sebastián; Poyatos, Macarena; Peris, Eduardo","Fluoride-induced redox-switchable behaviour of a palladium(ii)/(iv) couple","Chemical Science","2025","16","15","6257","6264","10.1039/D4SC08203F","","x-ray","1.54184","CuKα","","0.1109","0.0799","","","0.2072","0.2348","","","","","","1.032","","","","has coordinates","300638","2025-07-06","14:33:43",""
"1574092","24.626","0.002","24.7677","0.0019","25.97","0.002","69.586","0.002","75.581","0.002","63.458","0.002","13198.3","1.8","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C138 H96 N12 Pd3 -","- C138 H96 N12 Pd3 -","- C276 H192 N24 Pd6 -","2","1","","Yu, Hao; Guo, Ziteng; Tang, Jie; Han, Ningxu; Shi, Junjuan; Li, Meng; Zhang, Houyu; Wang, Ming","Configurational control of low-symmetry heteroleptic metal-organic cages with asymmetric ligands.","Chemical science","2025","16","14","6114","6120","10.1039/d4sc08647c","","","0.67016","Synchrotron","","0.1559","0.1268","","","0.374","0.4083","","","","","","1.453","","","","has coordinates,has disorder","298788","2025-04-05","02:19:42",""
"1574093","26.235","0.0017","26.235","0.0017","46.357","0.004","90","","90","","120","","27632","3","273.15","","273.15","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C282 H204 N24 Pd6 -","- C282 H204 N24 Pd6 -","- C564 H408 N48 Pd12 -","2","0.166667","","Yu, Hao; Guo, Ziteng; Tang, Jie; Han, Ningxu; Shi, Junjuan; Li, Meng; Zhang, Houyu; Wang, Ming","Configurational control of low-symmetry heteroleptic metal-organic cages with asymmetric ligands.","Chemical science","2025","16","14","6114","6120","10.1039/d4sc08647c","","","0.6887","Synchrotron","","0.1399","0.1258","","","0.3361","0.3594","","","","","","1.397","","","","has coordinates","298788","2025-04-05","02:19:42",""
"1574094","43.65","0.002","43.65","0.002","43.65","0.002","90","","90","","90","","83167","7","273.15","","273.15","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C176 H128 N16 Pd4 -","- C176 H128 N16 Pd4 -","- C1056 H768 N96 Pd24 -","6","0.0625","","Yu, Hao; Guo, Ziteng; Tang, Jie; Han, Ningxu; Shi, Junjuan; Li, Meng; Zhang, Houyu; Wang, Ming","Configurational control of low-symmetry heteroleptic metal-organic cages with asymmetric ligands.","Chemical science","2025","16","14","6114","6120","10.1039/d4sc08647c","","","0.68874","Synchrotron","","0.1934","0.1841","","","0.516","0.575","","","","","","1.582","","","","has coordinates,has disorder","298788","2025-04-05","02:19:42",""
"1574095","10.5853","0.0018","21.091","0.004","23.544","0.005","69.159","0.015","81.645","0.013","89.253","0.014","4856","1.7","223","","223","","","","","","","","","6","P -1","-P 1","2","","CD-1","","- C99 H107 Cl7 N8 O4 S4 -","- C96 H98 Cl4 N8 O2 S4 -","- C192 H196 Cl8 N16 O4 S8 -","2","1","","Duan, Tainan; Wang, Jia; Zuo, Xiaochan; Zhong, Yanyi; Long, Yuhong; Wang, Peiran; Tu, Kaihuai; Zhong, Cheng; Zhang, Jiangbin; Rakitin, Oleg A.; Yao, Zhaoyang; Wan, Xiangjian; Zhao, Yan; Kan, Bin; Chen, Yongsheng","“Head surgery” of polycyclic o-quinones with cyanated aromatic rings towards high electron mobility acceptors enables 19.6% efficiency in additive-free binary organic solar cells","Energy & Environmental Science","2025","18","8","3773","3783","10.1039/D5EE00031A","","x-ray","1.54178","CuKα","","0.1436","0.1078","","","0.3004","0.3403","","","","","","1.198","","","","has coordinates","300996","2025-07-06","17:18:16",""
"1574096","29.131","0.005","22.225","0.004","14.008","0.002","90","","111.957","0.011","90","","8411","2","223","","223","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","CD-2","","- C90 H94 Cl4 N8 O2 S5 -","- C90 H94 Cl4 N8 O2 S5 -","- C360 H376 Cl16 N32 O8 S20 -","4","0.5","","Duan, Tainan; Wang, Jia; Zuo, Xiaochan; Zhong, Yanyi; Long, Yuhong; Wang, Peiran; Tu, Kaihuai; Zhong, Cheng; Zhang, Jiangbin; Rakitin, Oleg A.; Yao, Zhaoyang; Wan, Xiangjian; Zhao, Yan; Kan, Bin; Chen, Yongsheng","“Head surgery” of polycyclic o-quinones with cyanated aromatic rings towards high electron mobility acceptors enables 19.6% efficiency in additive-free binary organic solar cells","Energy & Environmental Science","2025","18","8","3773","3783","10.1039/D5EE00031A","","x-ray","1.54178","CuKα","","0.1381","0.1054","","","0.3007","0.3433","","","","","","1.306","","","","has coordinates","300996","2025-07-06","17:18:17",""
"1574097","8.046","0.0001","18.2634","0.0002","8.5597","0.0001","90","","108.345","0.001","90","","1193.9","0.03","249.97","0.1","249.97","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","2","","Sun, Hao; Yu, Cheng-Long; Zheng, Yu-Qing; Shu, Peng-Fei; Dong, Zhan; Xia, Yu-Chen; Liu, Wen-Bo","Pd-catalyzed enantioselective access to hydrocarbazolones containing contiguous quaternary and tertiary stereocenters","Chemical Science","2025","16","15","6425","6433","10.1039/D4SC08215J","","x-ray","1.54184","CuKα","","0.0276","0.0269","","","0.0732","0.0738","","","","","","1.038","","","","has coordinates","300639","2025-07-06","14:34:11",""
"1574098","8.9633","0.0002","18.6929","0.0002","11.3785","0.0002","90","","90.154","0.002","90","","1906.46","0.06","301.56","0.1","301.56","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H24.5 N O1.75 -","- C23 H23 N O -","- C92 H92 N4 O4 -","4","2","","Sun, Hao; Yu, Cheng-Long; Zheng, Yu-Qing; Shu, Peng-Fei; Dong, Zhan; Xia, Yu-Chen; Liu, Wen-Bo","Pd-catalyzed enantioselective access to hydrocarbazolones containing contiguous quaternary and tertiary stereocenters","Chemical Science","2025","16","15","6425","6433","10.1039/D4SC08215J","","","1.54184","CuKα","","0.048","0.0419","","","0.1173","0.1226","","","","","","1.0472","","","","has coordinates","300639","2025-07-06","14:34:11",""
"1574099","55.438","0.004","55.438","0.004","34.467","0.002","90","","90","","120","","91738","11","200","2","200","2","","","","","","","","7","P 63","P 6c","173","","","","- C112 H276 Mo12 N40 O138 Pd4 Si -","- C112 H128 Mo12 N32 O40 Pd4 Si -","- C2016 H2304 Mo216 N576 O720 Pd72 Si18 -","18","3","","Cai, Li-Xuan; Hu, Yu-Hang; Zhou, Li-Peng; Cheng, Pei-Ming; Guo, Xiao-Qing; Chan, Yi-Tsu; Sun, Qing-Fu","Polyoxometalate condensation and transformation mediated by adaptive coordination-assembled molecular flasks","Chemical Science","2025","16","18","7956","7962","10.1039/D4SC08729A","","","0.71073","MoKα","","0.1389","0.0935","","","0.2345","0.2746","","","","","","1.042","","","","has coordinates","300649","2025-07-06","14:38:42",""
"1574100","57.774","0.008","57.774","0.008","36.483","0.007","90","","90","","90","","121774","3","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C112 H319 N40 O151.5 Pd4 W10 -","- C112 H128 N33 O35 Pd4 W10 -","- C1792 H2048 N528 O560 Pd64 W160 -","16","1","","Cai, Li-Xuan; Hu, Yu-Hang; Zhou, Li-Peng; Cheng, Pei-Ming; Guo, Xiao-Qing; Chan, Yi-Tsu; Sun, Qing-Fu","Polyoxometalate condensation and transformation mediated by adaptive coordination-assembled molecular flasks","Chemical Science","2025","16","18","7956","7962","10.1039/D4SC08729A","","","0.68875","Synchrotron","","0.1046","0.0762","","","0.2604","0.2908","","","","","","1.06","","","","has coordinates","300649","2025-07-06","14:38:44",""
"1574101","33.1786","0.0003","35.0845","0.0004","58.0136","0.0006","90","","89.8996","0.001","90","","67530.9","1.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C112 H228 N40 O114 Pd4 Si W12 -","- C112 H128 N32 O40 Pd4 Si W12 -","- C1344 H1536 N384 O480 Pd48 Si12 W144 -","12","3","","Cai, Li-Xuan; Hu, Yu-Hang; Zhou, Li-Peng; Cheng, Pei-Ming; Guo, Xiao-Qing; Chan, Yi-Tsu; Sun, Qing-Fu","Polyoxometalate condensation and transformation mediated by adaptive coordination-assembled molecular flasks","Chemical Science","2025","16","18","7956","7962","10.1039/D4SC08729A","","","1.34139","GaKα","","0.1168","0.1094","","","0.3409","0.3538","","","","","","1.14","","","","has coordinates","300649","2025-07-06","14:38:53",""
"1574102","9.0296","0.0004","9.2046","0.0004","23.1133","0.0012","89.022","0.002","79.051","0.002","63.4122","0.0017","1681.56","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H45 B Cl3 N2 P Si -","- C33 H45 B Cl3 N2 P Si -","- C66 H90 B2 Cl6 N4 P2 Si2 -","2","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond","Chemical Science","2025","16","16","6763","6769","10.1039/D5SC00047E","","x-ray","0.71073","MoKα","","0.0772","0.0517","","","0.1281","0.1445","","","","","","1.036","","","","has coordinates","300612","2025-07-06","14:19:46",""
"1574103","11.8487","0.0006","10.1385","0.0007","30.475","0.002","90","","94.814","0.004","90","","3648","0.4","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 B N2 P Si2 -","- C36 H54 B N2 P Si2 -","- C144 H216 B4 N8 P4 Si8 -","4","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond","Chemical Science","2025","16","16","6763","6769","10.1039/D5SC00047E","","x-ray","1.54178","CuKα","","0.143","0.0918","","","0.209","0.2361","","","","","","1.06","","","","has coordinates,has disorder","300612","2025-07-06","14:19:46",""
"1574104","8.9473","0.0009","12.225","0.0011","15.6398","0.0016","87.641","0.003","89.746","0.004","71.362","0.003","1619.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H90 B2 K2 N4 P2 Si2 -","- C66 H90 B2 K2 N4 P2 Si2 -","- C66 H90 B2 K2 N4 P2 Si2 -","1","0.5","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond","Chemical Science","2025","16","16","6763","6769","10.1039/D5SC00047E","","x-ray","0.71073","MoKα","","0.1355","0.0795","","","0.1979","0.2432","","","","","","1.023","","","","has coordinates,has disorder","300612","2025-07-06","14:19:46",""
"1574105","16.6108","0.0007","10.1947","0.0004","25.8173","0.0013","90","","90.071","0.0015","90","","4372","0.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C43 H59 B F3 N2 O3 P S Si -","- C43 H59 B F3 N2 O3 P S Si -","- C172 H236 B4 F12 N8 O12 P4 S4 Si4 -","4","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond","Chemical Science","2025","16","16","6763","6769","10.1039/D5SC00047E","","x-ray","0.71073","MoKα","","0.1132","0.0606","","","0.1424","0.1789","","","","","","1.02","","","","has coordinates,has disorder","300612","2025-07-06","14:19:46",""
"1574106","15.2155","0.0019","15.695","0.002","18.597","0.002","90.735","0.004","105.707","0.004","98.278","0.004","4224.5","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H61 B Ir N2 P Si -","- C47 H61 B Ir N2 P Si -","- C188 H244 B4 Ir4 N8 P4 Si4 -","4","2","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond","Chemical Science","2025","16","16","6763","6769","10.1039/D5SC00047E","","x-ray","0.71073","MoKα","","0.078","0.0486","","","0.1054","0.1244","","","","","","1.044","","","","has coordinates","300612","2025-07-06","14:19:46",""
"1574107","15.9089","0.0009","12.3323","0.0006","40.245","0.003","90","","100.86","0.002","90","","7754.4","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H111 B2 Cu2 N4 P3 Si2 -","- C81 H111 B2 Cu2 N4 P3 Si2 -","- C324 H444 B8 Cu8 N16 P12 Si8 -","4","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond","Chemical Science","2025","16","16","6763","6769","10.1039/D5SC00047E","","x-ray","0.71073","MoKα","","0.1009","0.0537","","","0.1142","0.1363","","","","","","1.03","","","","has coordinates","300612","2025-07-06","14:19:46",""
"1574108","9.7393","0.0002","24.5507","0.0005","30.8103","0.0007","90","","90","","90","","7366.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1MeCz-BO","","- C52 H34 B N O2 -","- C52 H34 B N O2 -","- C416 H272 B8 N8 O16 -","8","1","","Li, Quanwei; Zhao, Haisong; Zhao, Jinyang; Cao, Zhongxu; Yu, Chao; Yan, Shouke; Ren, Zhongjie","Enhancing electroluminescence performance of ultra-deep-blue through-space charge transfer emitters with CIEy ≈ 0.05 via methyl-modification","Chemical Science","2025","16","15","6434","6442","10.1039/D4SC08094G","","x-ray","1.54184","CuKα","","0.0759","0.0572","","","0.1425","0.1528","","","","","","1.072","","","","has coordinates","300633","2025-07-06","14:30:55",""
"1574109","8.8277","0.0003","27.8654","0.0009","31.786","0.0012","90","","90","","90","","7819","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3MeCz-BO","","- C54 H38 B N O2 -","- C54 H38 B N O2 -","- C432 H304 B8 N8 O16 -","8","1","","Li, Quanwei; Zhao, Haisong; Zhao, Jinyang; Cao, Zhongxu; Yu, Chao; Yan, Shouke; Ren, Zhongjie","Enhancing electroluminescence performance of ultra-deep-blue through-space charge transfer emitters with CIEy ≈ 0.05 via methyl-modification","Chemical Science","2025","16","15","6434","6442","10.1039/D4SC08094G","","x-ray","1.54184","CuKα","","0.0888","0.0559","","","0.147","0.1672","","","","","","1.039","","","","has coordinates","300633","2025-07-06","14:30:57",""
"1574110","16.7197","0.0013","8.873","0.0005","26.3102","0.0017","90","","101.453","0.007","90","","3825.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2MeCz-BO","","- C53 H36 B N O2 -","- C53 H36 B N O2 -","- C212 H144 B4 N4 O8 -","4","1","","Li, Quanwei; Zhao, Haisong; Zhao, Jinyang; Cao, Zhongxu; Yu, Chao; Yan, Shouke; Ren, Zhongjie","Enhancing electroluminescence performance of ultra-deep-blue through-space charge transfer emitters with CIEy ≈ 0.05 via methyl-modification","Chemical Science","2025","16","15","6434","6442","10.1039/D4SC08094G","","","1.54184","CuKα","","0.1937","0.117","","","0.3019","0.3542","","","","","","1.049","","","","has coordinates","300633","2025-07-06","14:30:57",""
"1574111","21.2386","0.0002","36.7068","0.0003","38.4701","0.0003","90","","98.345","0.001","90","","29673.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C241 H183 Ag7.17 Cl2 Cu39.83 F36 O24 P6 Se18 -","- C241 H182 Ag7.1667 Cl2 Cu39.8333 F36 O24 P6 Se18 -","- C964 H728 Ag28.6668 Cl8 Cu159.333 F144 O96 P24 Se72 -","4","1","","Sun, Jing; Liu, Jiahe; Su, Hai-Feng; Li, Simin; Tang, Xiongkai; Xie, Zhenlang; Xu, Zhen; Jiang, Wenya; Wei, Jianyu; Gong, Xuekun; He, Ayisha; Wang, Song; Jiang, De-en; Zheng, Nanfeng; Shen, Hui","Eight-electron copper-hydride nanoclusters: synthesis, structure, alloying chemistry and photoluminescence","Chemical Science","2025","16","15","6392","6401","10.1039/D4SC08547G","","x-ray","1.54184","CuKα","","0.075","0.0605","","","0.1556","0.1652","","","","","","1.05","","","","has coordinates,has disorder","300632","2025-07-06","14:30:33",""
"1574112","21.8398","0.0005","21.8398","0.0005","33.3259","0.0005","90","","90","","120","","13766.1","0.5","99.98","0.1","100.15","","","","","","","","","8","P 63/m","-P 6c","176","","","","- C207 H156 Cl6 Cu47 F36 O24 P5 Se15 -","- C207 H156 Cl6 Cu47 F36 O24 P5 Se15 -","- C414 H312 Cl12 Cu94 F72 O48 P10 Se30 -","2","0.166667","","Sun, Jing; Liu, Jiahe; Su, Hai-Feng; Li, Simin; Tang, Xiongkai; Xie, Zhenlang; Xu, Zhen; Jiang, Wenya; Wei, Jianyu; Gong, Xuekun; He, Ayisha; Wang, Song; Jiang, De-en; Zheng, Nanfeng; Shen, Hui","Eight-electron copper-hydride nanoclusters: synthesis, structure, alloying chemistry and photoluminescence","Chemical Science","2025","16","15","6392","6401","10.1039/D4SC08547G","","","1.54184","CuKα","","0.0717","0.0552","","","0.162","0.1751","","","","","","1.054","","","","has coordinates","300632","2025-07-06","14:30:33",""
"1574113","13.5563","0.0002","20.737","0.0002","14.8064","0.0002","90","","116.901","0.002","90","","3711.92","0.11","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl4 Cu I O P2 -","- C38 H32 Cl4 Cu I O P2 -","- C152 H128 Cl16 Cu4 I4 O4 P8 -","4","1","","Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming","CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction","Chemical Science","2025","16","16","6872","6878","10.1039/D4SC07949C","","x-ray","1.54184","CuKα","","0.0345","0.0337","","","0.0881","0.0887","","","","","","1.061","","","","has coordinates","300608","2025-07-06","14:17:44",""
"1574114","13.3463","0.0005","20.206","0.0004","14.7519","0.0005","90","","116.536","0.004","90","","3559.1","0.2","150","0.11","150","0.11","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Cu I N2 O P2 -","- C40 H34 Cu I N2 O P2 -","- C160 H136 Cu4 I4 N8 O4 P8 -","4","1","","Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming","CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction","Chemical Science","2025","16","16","6872","6878","10.1039/D4SC07949C","","x-ray","1.54184","CuKα","","0.0383","0.0355","","","0.0948","0.0967","","","","","","1.05","","","","has coordinates","300608","2025-07-06","14:17:53",""
"1574115","13.4634","0.0008","18.73432","0.00017","23.9159","0.0015","90","","147.569","0.016","90","","3235","1.4","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H56 Cu2 I2 O2 P4 -","- C72 H56 Cu2 I2 O2 P4 -","- C144 H112 Cu4 I4 O4 P8 -","2","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming","CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction","Chemical Science","2025","16","16","6872","6878","10.1039/D4SC07949C","","x-ray","1.54184","CuKα","","0.0283","0.0268","","","0.0694","0.0706","","","","","","1.05","","","","has coordinates","300608","2025-07-06","14:17:54",""
"1574116","13.3073","0.0001","19.2892","0.0001","14.7456","0.0002","90","","116.688","0.001","90","","3381.77","0.06","150","0.11","150","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73.6 H56 Cu2 I2 O5.12 P4 -","- C73.6 H56 Cu2 I2 O5.124 P4 -","- C147.2 H112 Cu4 I4 O10.248 P8 -","2","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming","CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction","Chemical Science","2025","16","16","6872","6878","10.1039/D4SC07949C","","x-ray","1.54184","CuKα","","0.0293","0.0277","","","0.0673","0.0679","","","","","","1.149","","","","has coordinates","300608","2025-07-06","14:18:03",""
"1574117","13.5886","0.0001","18.8697","0.0002","14.651","0.0002","90","","117.565","0.001","90","","3330.27","0.07","291.6","0.3","291.6","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cu I O P2 -","- C36 H28 Cu I O P2 -","- C144 H112 Cu4 I4 O4 P8 -","4","1","","Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming","CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction","Chemical Science","2025","16","16","6872","6878","10.1039/D4SC07949C","","x-ray","1.54184","CuKα","","0.0267","0.0243","","","0.0597","0.0609","","","","","","1.038","","","","has coordinates","300608","2025-07-06","14:18:04",""
"1574118","13.4567","0.0001","19.338","0.0001","14.8468","0.0002","90","","116.934","0.001","90","","3444.44","0.06","291.33","0.1","291.33","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72.8 H56 Cu2 I2 O3.6 P4 -","- C72.8 H56 Cu2 I2 O3.6 P4 -","- C145.6 H112 Cu4 I4 O7.2 P8 -","2","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming","CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction","Chemical Science","2025","16","16","6872","6878","10.1039/D4SC07949C","","x-ray","1.54184","CuKα","","0.0291","0.0269","","","0.0726","0.0738","","","","","","1.066","","","","has coordinates,has disorder","300608","2025-07-06","14:18:05",""
"1574119","7.506","0.0002","11.5648","0.0002","34.8112","0.0005","90","","90.678","0.002","90","","3021.59","0.11","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H17 Cl N4 O -","- C16 H17 Cl N4 O -","- C128 H136 Cl8 N32 O8 -","8","1","","Zhu, Shiyang; Zhang, Hairuo; Sun, Boyang; Bai, Ziqian; He, Gang; Chen, Gong; Wang, Hao","Nitrene-mediated aminative N–N–N coupling: facile access to triazene 1-oxides","Chemical Science","2025","16","15","6458","6467","10.1039/D5SC00064E","","x-ray","0.71073","MoKα","","0.0442","0.0366","","","0.0993","0.1036","","","","","","1.054","","","","has coordinates","300631","2025-07-06","14:30:14",""
"1574120","11.281","0.0002","12.9645","0.0002","14.2569","0.0003","90","","111.52","0.002","90","","1939.75","0.07","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F2 O4 S -","- C24 H14 F2 O4 S -","- C96 H56 F8 O16 S4 -","4","1","","Chang, Meng-Yang; Hsueh, Nai-Chen","One-pot synthesis of diaroyl benzothiepine-1,1-dioxides.","Organic & biomolecular chemistry","2025","23","15","3572","3582","10.1039/d5ob00198f","","x-ray","0.71073","MoKα","","0.0416","0.0365","","","0.0896","0.0931","","","","","","1.07","","","","has coordinates","301156","2025-07-06","17:57:01",""
"1574121","16.8686","0.0004","9.1625","0.0002","17.9678","0.0004","90","","107.609","0.002","90","","2646.95","0.11","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 Cl O8 S0.25 -","- C31 H28 O8 S -","- C124 H112 O32 S4 -","4","1","","Chang, Meng-Yang; Hsueh, Nai-Chen","One-pot synthesis of diaroyl benzothiepine-1,1-dioxides.","Organic & biomolecular chemistry","2025","23","15","3572","3582","10.1039/d5ob00198f","","x-ray","0.71073","MoKα","","0.0448","0.0355","","","0.085","0.089","","","","","","1.052","","","","has coordinates","301156","2025-07-06","17:57:02",""
"1574122","15.4787","0.0003","13.8797","0.0004","6.2389","0.0002","90","","100.168","0.002","90","","1319.31","0.06","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cl2 N2 -","- C16 H10 Cl2 N2 -","- C64 H40 Cl8 N8 -","4","1","","Chang, Meng-Yang; Hsueh, Nai-Chen","One-pot synthesis of diaroyl benzothiepine-1,1-dioxides.","Organic & biomolecular chemistry","2025","23","15","3572","3582","10.1039/d5ob00198f","","x-ray","0.71073","MoKα","","0.0409","0.0311","","","0.0787","0.083","","","","","","1.07","","","","has coordinates","301156","2025-07-06","17:57:11",""
"1574123","10.5314","0.0003","13.6665","0.0004","25.0346","0.0007","90","","92.809","0.002","90","","3598.83","0.18","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 Cl O8 S0.25 -","- C43 H36 O8 S -","- C172 H144 O32 S4 -","4","1","","Chang, Meng-Yang; Hsueh, Nai-Chen","One-pot synthesis of diaroyl benzothiepine-1,1-dioxides.","Organic & biomolecular chemistry","2025","23","15","3572","3582","10.1039/d5ob00198f","","x-ray","0.71073","MoKα","","0.191","0.0769","","","0.1621","0.188","","","","","","1.045","","","","has coordinates","301156","2025-07-06","17:57:13",""
"1574124","12.6189","0.0007","12.2607","0.0005","14.3744","0.0008","90","","112.227","0.007","90","","2058.7","0.2","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 O5 S -","- C25 H18 O5 S -","- C100 H72 O20 S4 -","4","1","","Chang, Meng-Yang; Hsueh, Nai-Chen","One-pot synthesis of diaroyl benzothiepine-1,1-dioxides.","Organic & biomolecular chemistry","2025","23","15","3572","3582","10.1039/d5ob00198f","","x-ray","0.71073","MoKα","","0.088","0.0704","","","0.1559","0.1625","","","","","","1.129","","","","has coordinates","301156","2025-07-06","17:57:22",""
"1574125","7.4555","0.0002","5.7258","0.0002","26.8292","0.0008","90","","92.871","0.003","90","","1143.87","0.06","130","2","130","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C8 H7 N -","- C8 H6 N -","- C64 H48 N8 -","8","1","","Chang, Meng-Yang; Hsueh, Nai-Chen","One-pot synthesis of diaroyl benzothiepine-1,1-dioxides.","Organic & biomolecular chemistry","2025","23","15","3572","3582","10.1039/d5ob00198f","","x-ray","0.71073","MoKα","","0.0438","0.0381","","","0.0965","0.1007","","","","","","1.081","","","","has coordinates","301156","2025-07-06","17:57:24",""
"1574126","10.7515","0.0016","9.9866","0.0015","14.1041","0.0019","90","","95.72","0.013","90","","1506.8","0.4","100.01","0.13","100.01","0.13","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H10 F6 N2 -","- C18 H10 F6 N2 -","- C72 H40 F24 N8 -","4","0.5","","Chang, Meng-Yang; Hsueh, Nai-Chen","One-pot synthesis of diaroyl benzothiepine-1,1-dioxides.","Organic & biomolecular chemistry","2025","23","15","3572","3582","10.1039/d5ob00198f","","x-ray","1.54184","CuKα","","0.0788","0.0694","","","0.2092","0.2225","","","","","","1.057","","","","has coordinates,has disorder","301156","2025-07-06","17:57:24",""
"1574127","16.4453","0.0006","11.4878","0.0005","20.1149","0.0008","90","","91.894","0.003","90","","3798","0.3","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9.41 H6.12 O2.12 S1.41 -","- C9.41176 H6.11765 O2.11765 S1.41176 -","- C160 H104 O36 S24 -","17","4.25","","Chang, Meng-Yang; Hsueh, Nai-Chen","One-pot synthesis of diaroyl benzothiepine-1,1-dioxides.","Organic & biomolecular chemistry","2025","23","15","3572","3582","10.1039/d5ob00198f","","x-ray","0.71073","MoKα","","0.1221","0.1004","","","0.2934","0.3212","","","","","","1.16","","","","has coordinates","301156","2025-07-06","17:57:25",""
"1574128","6.6617","0.0002","17.3131","0.0004","28.1245","0.001","93.203","0.002","92.284","0.003","95.465","0.002","3220.61","0.17","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H31 Cl2 N Si Ti -","- C17 H31 Cl2 N Si Ti -","- C102 H186 Cl12 N6 Si6 Ti6 -","6","3","","Kawatsu, Minaho; Fujioka, Taiga; Losio, Simona; Tritto, Incoronata; Nomura, Kotohiro","(Trialkylsilyl-cyclopentadienyl)titanium(iv) dichloride complexes containing ketimide ligands, Cp′TiCl2(NCtBu2) (Cp′ = Me3SiC5H4, Et3SiC5H4), as efficient catalysts for ethylene copolymerisation with norbornene and tetracyclododecene","Catalysis Science & Technology","2025","15","9","2757","2765","10.1039/D5CY00160A","","x-ray","0.71073","MoKα","","0.0863","0.0561","","","0.1266","0.1359","","","","","","1.073","","","","has coordinates","300390","2025-07-06","12:38:23",""
"1574129","12.2674","0.0004","13.776","0.0004","14.0063","0.0004","90","","90","","90","","2367","0.12","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","C20H37Cl2NSiTi","","- C20 H37 Cl2 N Si Ti -","- C20 H37 Cl2 N Si Ti -","- C80 H148 Cl8 N4 Si4 Ti4 -","4","1","","Kawatsu, Minaho; Fujioka, Taiga; Losio, Simona; Tritto, Incoronata; Nomura, Kotohiro","(Trialkylsilyl-cyclopentadienyl)titanium(iv) dichloride complexes containing ketimide ligands, Cp′TiCl2(NCtBu2) (Cp′ = Me3SiC5H4, Et3SiC5H4), as efficient catalysts for ethylene copolymerisation with norbornene and tetracyclododecene","Catalysis Science & Technology","2025","15","9","2757","2765","10.1039/D5CY00160A","","x-ray","0.71073","MoKα","","0.0624","0.046","","","0.1053","0.1109","","","","","","1.044","","","","has coordinates","300390","2025-07-06","12:38:23",""
"1574130","17.3266","0.0011","23.1849","0.0015","24.3639","0.0014","93.487","0.003","110.59","0.003","109.064","0.004","8487.2","1","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C99.5 H88 N2 O4 Si4 Tb -","- C99.5 H88 N2 O4 Si4 Tb -","- C398 H352 N8 O16 Si16 Tb4 -","4","2","","Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping","Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties","Chemical Science","2025","16","16","6805","6811","10.1039/D4SC08731C","","x-ray","1.34138","GaKα","","0.0895","0.0635","","","0.1621","0.1767","","","","","","1.082","","","","has coordinates","300610","2025-07-06","14:19:07",""
"1574131","22.7842","0.0009","18.3307","0.0007","23.9399","0.0008","90","","111.875","0.001","90","","9278.6","0.6","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H112 N2 O12 Si4 Tb -","- C104 H112 N2 O12 Si4 Tb -","- C416 H448 N8 O48 Si16 Tb4 -","4","0.5","","Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping","Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties","Chemical Science","2025","16","16","6805","6811","10.1039/D4SC08731C","","x-ray","0.71073","MoKα","","0.0543","0.0442","","","0.1066","0.1164","","","","","","1.034","","","","has coordinates,has disorder","300610","2025-07-06","14:19:08",""
"1574132","17.784","0.0016","21.25","0.002","25.315","0.003","109.025","0.004","101.84","0.004","90.039","0.004","8828.2","1.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C105 H92 N2 O4 Si4 Tb -","- C105 H92 N2 O4 Si4 Tb -","- C420 H368 N8 O16 Si16 Tb4 -","4","2","","Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping","Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties","Chemical Science","2025","16","16","6805","6811","10.1039/D4SC08731C","","","1.34139","GaKα","","0.125","0.08","","","0.194","0.2201","","","","","","1.093","","","","has coordinates","300610","2025-07-06","14:19:08",""
"1574133","32.278","0.0017","34.1126","0.0016","39.4068","0.0017","90","","90","","90","","43390","4","99.9","","99.9","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C208 H224 N4 O18 Si8 Tb2 -","- C208 H224 N4 O18 Si8 Tb2 -","- C1664 H1792 N32 O144 Si64 Tb16 -","8","0.25","","Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping","Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties","Chemical Science","2025","16","16","6805","6811","10.1039/D4SC08731C","","x-ray","0.71073","MoKα","","0.0609","0.0514","","","0.1505","0.16","","","","","","1.142","","","","has coordinates,has disorder","300610","2025-07-06","14:19:08",""
"1574134","17.8325","0.0016","21.184","0.002","25.671","0.002","109.037","0.004","101.48","0.003","90.122","0.003","8960.2","1.4","200","0.2","200","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C210 H188 N4 O8 Si8 Tb2 -","- C182 H156 N4 O8 Si8 Tb2 -","- C364 H312 N8 O16 Si16 Tb4 -","2","1","","Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping","Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties","Chemical Science","2025","16","16","6805","6811","10.1039/D4SC08731C","","x-ray","1.34139","GaKα","","0.0732","0.06","","","0.1757","0.1856","","","","","","1.159","","","","has coordinates,has disorder","300610","2025-07-06","14:19:08",""
"1574135","10.9435","0.0001","10.9435","0.0001","14.7482","0.0001","90","","90","","90","","1766.25","0.03","292.96","0.13","292.96","0.13","","","","","","","","5","P 41","P 4w","76","","","","- C21 H12 I N Se -","- C21 H12 I N Se -","- C84 H48 I4 N4 Se4 -","4","1","","Li, Yuanyuan; Tao, Chenyu; Duan, Longhui; Gu, Zhenhua","Observation of the solvent enantio-isotope effect in asymmetric ring-opening of cyclic diaryliodoniums with selenocyanate","Chemical Science","2025","16","15","6488","6494","10.1039/D5SC00014A","","x-ray","1.54184","CuKα","","0.0379","0.0373","","","0.0962","0.0969","","","","","","1.027","","","","has coordinates","300635","2025-07-06","14:31:20",""
"1574136","9.3735","0.0005","11.1993","0.0006","11.3482","0.0005","63.903","0.005","80.905","0.004","86.542","0.004","1056.34","0.1","293.3","0.5","293.3","0.5","","","","","","","","6","P 1","P 1","1","","","","- C22 H21 I N2 O Se -","- C22 H21 I N2 O Se -","- C44 H42 I2 N4 O2 Se2 -","2","2","","Li, Yuanyuan; Tao, Chenyu; Duan, Longhui; Gu, Zhenhua","Observation of the solvent enantio-isotope effect in asymmetric ring-opening of cyclic diaryliodoniums with selenocyanate","Chemical Science","2025","16","15","6488","6494","10.1039/D5SC00014A","","x-ray","1.54184","CuKα","","0.1086","0.0917","","","0.2514","0.2709","","","","","","1.049","","","","has coordinates","300635","2025-07-06","14:31:24",""
"1574137","21.8575","0.0008","27.0119","0.0007","27.2218","0.0008","78.849","0.002","76.57","0.003","80.26","0.003","15206.9","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C272 H264 Cl45 N3 O6 -","- C257 H249 N3 O6 -","- C514 H498 N6 O12 -","2","1","","Chen, Yan; Chen, Xingyu; Li, Lin; Chen, Xiangping; Xia, Jianlong; Zhang, Lei","A triply linked propellane-nanoring hybrid serving as a good host","Chemical Science","2025","16","16","6822","6827","10.1039/D5SC00713E","","","1.54178","CuKα","","0.1357","0.084","","","0.1935","0.2053","","","","","","1.097","","","","has coordinates,has disorder","300607","2025-07-06","14:17:12",""
"1574138","16.4184","0.0002","29.5605","0.0004","16.8961","0.0002","90","","101.849","0.001","90","","8025.56","0.18","170","0.1","170","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C82 H88 Cl12 -","- C82 H88 Cl12 -","- C328 H352 Cl48 -","4","0.5","","Chen, Yan; Chen, Xingyu; Li, Lin; Chen, Xiangping; Xia, Jianlong; Zhang, Lei","A triply linked propellane-nanoring hybrid serving as a good host","Chemical Science","2025","16","16","6822","6827","10.1039/D5SC00713E","","x-ray","1.54184","CuKα","","0.092","0.0813","","","0.226","0.2358","","","","","","1.039","","","","has coordinates,has disorder","300607","2025-07-06","14:17:21",""
"1574139","22.4394","0.0011","25.032","0.0012","34.7003","0.0012","84.936","0.003","79.688","0.004","67.852","0.005","17756.8","1.5","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C528 H353 N3 O6 -","- C437 H249 N3 O6 -","- C874 H498 N6 O12 -","2","1","","Chen, Yan; Chen, Xingyu; Li, Lin; Chen, Xiangping; Xia, Jianlong; Zhang, Lei","A triply linked propellane-nanoring hybrid serving as a good host","Chemical Science","2025","16","16","6822","6827","10.1039/D5SC00713E","","","1.54178","CuKα","","0.2463","0.1478","","","0.2824","0.3106","","","","","","1.029","","","","has coordinates","300607","2025-07-06","14:17:22",""
"1574140","6.6746","0.0004","8.0822","0.0006","13.784","0.001","95.756","0.002","99.723","0.002","97.231","0.002","721.43","0.09","99.99","","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 Cl F3 O5 S -","- C14 H8 Cl F3 O5 S -","- C28 H16 Cl2 F6 O10 S2 -","2","1","","Krammer, Leo; Darnhofer, Barbara; Kljajic, Marko; Liesinger, Laura; Schittmayer, Matthias; Neshchadin, Dmytro; Gescheidt, Georg; Kollau, Alexander; Mayer, Bernd; Fischer, Roland C.; Wallner, Silvia; Macheroux, Peter; Birner-Gruenberger, Ruth; Breinbauer, Rolf","A general approach for activity-based protein profiling of oxidoreductases with redox-differentiated diarylhalonium warheads","Chemical Science","2025","16","15","6240","6256","10.1039/D4SC08454C","","x-ray","0.71073","MoKα","","0.0369","0.0349","","","0.0912","0.0925","","","","","","1.091","","","","has coordinates","300636","2025-07-06","14:31:36",""
"1574141","7.0091","0.0007","10.6673","0.0011","11.7572","0.0012","63.23","0.005","75.79","0.005","85.689","0.005","760.2","0.14","100.03","","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 F3 I O5 S -","- C14 H8 F3 I O5 S -","- C28 H16 F6 I2 O10 S2 -","2","1","","Krammer, Leo; Darnhofer, Barbara; Kljajic, Marko; Liesinger, Laura; Schittmayer, Matthias; Neshchadin, Dmytro; Gescheidt, Georg; Kollau, Alexander; Mayer, Bernd; Fischer, Roland C.; Wallner, Silvia; Macheroux, Peter; Birner-Gruenberger, Ruth; Breinbauer, Rolf","A general approach for activity-based protein profiling of oxidoreductases with redox-differentiated diarylhalonium warheads","Chemical Science","2025","16","15","6240","6256","10.1039/D4SC08454C","","x-ray","0.71073","MoKα","","0.0783","0.043","","","0.0535","0.0609","","","","","","1.053","","","","has coordinates","300636","2025-07-06","14:31:37",""
"1574142","6.4902","0.0003","18.8943","0.0009","12.3367","0.0006","90","","95.462","0.002","90","","1505.95","0.12","100","2","99.98","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Br F3 O5 S -","- C14 H8 Br F3 O5 S -","- C56 H32 Br4 F12 O20 S4 -","4","1","","Krammer, Leo; Darnhofer, Barbara; Kljajic, Marko; Liesinger, Laura; Schittmayer, Matthias; Neshchadin, Dmytro; Gescheidt, Georg; Kollau, Alexander; Mayer, Bernd; Fischer, Roland C.; Wallner, Silvia; Macheroux, Peter; Birner-Gruenberger, Ruth; Breinbauer, Rolf","A general approach for activity-based protein profiling of oxidoreductases with redox-differentiated diarylhalonium warheads","Chemical Science","2025","16","15","6240","6256","10.1039/D4SC08454C","","x-ray","0.71073","MoKα","","0.0265","0.0237","","","0.0606","0.062","","","","","","1.011","","","","has coordinates","300636","2025-07-06","14:31:37",""
"1574143","16.3631","0.0003","10.4157","0.0002","17.9697","0.0003","90","","105.921","0.0007","90","","2945.15","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","BILASTINE HYDROCHLORIDE TRI HYDRATE","BILASTINE HYDROCHLORIDE TRI HYDRATE","","- C28 H44 Cl N3 O6 -","- C28 H44 Cl N3 O6 -","- C112 H176 Cl4 N12 O24 -","4","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.0785","0.0446","","","0.0907","0.1077","","","","","","1.025","","","","has coordinates","300721","2025-07-06","15:10:21",""
"1574144","5.8177","0.0003","12.2664","0.0006","38.8851","0.0018","90","","93.872","0.002","90","","2768.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BILASTINE HYDROBROMIDE MONO HYDRATE","BILASTINE HYDROBROMIDE MONO HYDRATE","","- C28 H40 Br N3 O4 -","- C28 H40 Br N3 O4 -","- C112 H160 Br4 N12 O16 -","4","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.041","0.0334","","","0.0753","0.0779","","","","","","1.059","","","","has coordinates","300721","2025-07-06","15:10:21",""
"1574145","8.733","0.002","10.044","0.003","34.856","0.01","90","","94.022","0.009","90","","3049.8","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BILASTINE DI NITRATE MONO HYDRATE","BILASTINE DI NITRATE MONO HYDRATE","","- C28 H41 N5 O10 -","- C28 H41 N5 O10 -","- C112 H164 N20 O40 -","4","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.0835","0.0638","","","0.1693","0.1903","","","","","","1.015","","","","has coordinates,has disorder","300721","2025-07-06","15:10:21",""
"1574146","8.9527","0.0017","11.559","0.002","16.499","0.003","100.869","0.006","100.793","0.006","97.455","0.007","1622.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BILASTINE PHOSPHATE DIMETHANOLATE","BILASTINE PHOSPHATE DIMETHANOLATE","","- C30 H48 N3 O9 P -","- C30 H48 N3 O9 P -","- C60 H96 N6 O18 P2 -","2","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.1047","0.0777","","","0.2019","0.224","","","","","","1.045","","","","has coordinates,has disorder","300721","2025-07-06","15:10:21",""
"1574147","9.2405","0.0006","12.572","0.0008","13.1588","0.0008","90","","96.847","0.003","90","","1517.78","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","BILASTINE HYDROCHLORIDE TETRA HYDRATE","BILASTINE HYDROCHLORIDE TETRA HYDRATE","","- C28 H46 Cl N3 O7 -","- C28 H46 Cl N3 O7 -","- C56 H92 Cl2 N6 O14 -","2","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.0683","0.042","","","0.0938","0.1053","","","","","","1.031","","","","has coordinates","300721","2025-07-06","15:10:21",""
"1574148","11.8559","0.0011","34.775","0.003","8.4372","0.0008","90","","90.259","0.005","90","","3478.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BILASTINE DI SULFATE TETRA HYDRATE","BILASTINE DI SULFATE TETRA HYDRATE","","- C28 H47 N3 O15 S2 -","- C28 H47 N3 O15 S2 -","- C112 H188 N12 O60 S8 -","4","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.122","0.0806","","","0.1755","0.1958","","","","","","1.103","","","","has coordinates,has disorder","300721","2025-07-06","15:10:21",""
"1574149","12.5749","0.0008","14.8653","0.0009","16.1941","0.001","82.653","0.002","80.4795","0.0019","76.8419","0.0019","2894.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","BILASTINE HYDROCHLORIDE PHOSPHATE TRI HYDRATE","BILASTINE HYDROCHLORIDE PHOSPHATE TRI HYDRATE","","- C56 H84 Cl N6 O13 P -","- C56 H84 Cl N6 O13 P -","- C112 H168 Cl2 N12 O26 P2 -","2","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.0378","0.0314","","","0.0758","0.0803","","","","","","1.019","","","","has coordinates,has disorder","300721","2025-07-06","15:10:22",""
"1574150","13.0425","0.0011","14.2978","0.0012","15.5953","0.0013","95.495","0.002","99.469","0.002","108.484","0.002","2686.4","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H77 K N O6 P -","- C57 H77 K N O6 P -","- C114 H154 K2 N2 O12 P2 -","2","1","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","0.71073","MoKα","","0.0525","0.0398","","","0.0998","0.1103","","","","","","1.015","","","","has coordinates","300614","2025-07-06","14:21:34",""
"1574151","10.4814","0.0006","20.0122","0.0012","26.3567","0.0015","91.519","0.002","99.269","0.002","99.707","0.002","5370","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H77 N Na O8 P -","- C57.0035 H77.004 N Na O8 P -","- C228.014 H308.016 N4 Na4 O32 P4 -","4","2","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","0.71073","MoKα","","0.0794","0.0504","","","0.1242","0.1472","","","","","","1.011","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574152","12.4061","0.0007","40.667","0.002","22.5868","0.0013","90","","91.183","0.003","90","","11393","1.1","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57.01 H77.01 K N O6 P S2 -","- C57.0035 H77.004 K N O6 P S2 -","- C456.028 H616.032 K8 N8 O48 P8 S16 -","8","2","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","1.54178","CuKα","","0.0371","0.0328","","","0.0876","0.0912","","","","","","1.034","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574153","12.76","0.003","12.763","0.003","16.898","0.003","92.4","0.03","107.37","0.03","91.81","0.03","2621.3","1.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H73 N Na O7 P -","- C55 H73 N Na O7 P -","- C110 H146 N2 Na2 O14 P2 -","2","1","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","0.71073","MoKα","","0.0678","0.0436","","","0.1196","0.1293","","","","","","1.061","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574154","14.5215","0.0004","18.3696","0.0005","20.0346","0.0006","82.909","0.001","83.658","0.001","77.776","0.001","5163.6","0.3","149.99","","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H122 N2 Na2 O12 P2 -","- C86 H122 N2 Na2 O12 P2 -","- C172 H244 N4 Na4 O24 P4 -","2","1","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","1.54178","CuKα","","0.0626","0.0565","","","0.1609","0.1684","","","","","","1.04","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574155","14.468","0.003","17.705","0.004","18.868","0.004","70.73","0.03","77.25","0.03","75.49","0.03","4366.2","1.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44.5 H61 N Na O5 P -","- C44.5 H61 N Na O5 P -","- C178 H244 N4 Na4 O20 P4 -","4","2","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","0.71073","MoKα","","0.0944","0.0527","","","0.1384","0.1581","","","","","","0.971","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574156","10.4542","0.0004","20.5804","0.0005","25.3528","0.0009","90","","92.771","0.003","90","","5448.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H77 K N O7 P -","- C57 H77 K N O7 P -","- C228 H308 K4 N4 O28 P4 -","4","1","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","0.71073","MoKα","","0.0701","0.0407","","","0.104","0.1115","","","","","","0.947","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574157","10.4129","0.0004","14.6924","0.0006","19.2865","0.0008","98.68","0.002","90.422","0.002","110.288","0.002","2730.22","0.19","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H77 K N O8 P -","- C57 H77 K N O8 P -","- C114 H154 K2 N2 O16 P2 -","2","1","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","1.54178","CuKα","","0.0452","0.0365","","","0.0906","0.0974","","","","","","1.022","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574158","9.5072","0.0006","11.2492","0.0007","13.1335","0.0009","92.018","0.003","92.253","0.003","106.884","0.003","1341.42","0.15","200","","200","","","","","","","","","7","P 1","P 1","1","","","","- C12 H12 Br F2 N O S -","- C12 H12 Br F2 N O S -","- C48 H48 Br4 F8 N4 O4 S4 -","4","4","","Baldon, Simone; Paut, Julien; Anselmi, Elsa; Dagousset, Guillaume; Tuccio, Béatrice; Pelosi, Giorgio; Cuadros, Sara; Magnier, Emmanuel; Dell’Amico, Luca","Radical photochemical difluorosulfoximination of alkenes and propellanes","Chemical Science","2025","16","16","6957","6964","10.1039/D5SC01068C","","","1.54178","CuKα","","0.0623","0.059","","","0.1699","0.1753","","","","","","1.055","","","","has coordinates,has disorder","300611","2025-07-06","14:19:24",""
"1574159","4.438","0.0002","10.5115","0.0004","17.3105","0.0006","90","","90","","90","","807.54","0.06","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[(4-Amino-3-methylphenyl)sulfanyl]formonitrile","2-Methyl-4-thiocyanatoaniline","","- C8 H8 N2 S -","- C8 H8 N2 S -","- C32 H32 N8 S4 -","4","1","BT4165","Lange, Erik de; Hosten, Eric Cyriel; Betz, Richard","2-Methyl-4-thiocyanatoaniline","IUCrData","2025","10","3","x250216","","10.1107/S2414314625002160","","","0.71073","MoKα","","0.0532","0.0425","","","0.0697","0.0749","","","","","","1.159","","","","has coordinates","300370","2025-07-05","10:15:19",""
"1574160","21.3086","0.0002","13.9591","0.0001","20.6685","0.0002","90","","118.573","0.002","90","","5399.07","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]GaP[As{N(2,6-iPr-C6H3)}2(CH2)2]","","- C55 H79 As Ga N4 P -","- C55 H79 As Ga N4 P -","- C220 H316 As4 Ga4 N16 P4 -","4","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0301","0.0256","","","0.0658","0.0685","","","","","","1.024","","","","has coordinates","300587","2025-07-06","14:09:56",""
"1574161","12.2864","0.0002","25.6905","0.0003","20.8532","0.0002","90","","92.473","0.001","90","","6576.05","0.15","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]Ga[OCN(Mes)]PAs[{N(2,6-iPr-C6H3)}2(CH2)2]*0.5hex0.5C6H6","","- C68 H93 As Ga N5 O P -","- C68 H93 As Ga N5 O P -","- C272 H372 As4 Ga4 N20 O4 P4 -","4","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0532","0.0419","","","0.1047","0.114","","","","","","1.026","","","","has coordinates,has disorder","300587","2025-07-06","14:10:05",""
"1574162","13.3562","0.0001","24.7151","0.0002","18.592","0.0001","90","","91.831","0.001","90","","6134.08","0.08","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]Ga(PCO)OAs[{N(2,6-iPr-C6H3)}2(CH2)2]*hex","","- C62 H93 As Ga N4 O2 P -","- C62 H93 As Ga N4 O2 P -","- C248 H372 As4 Ga4 N16 O8 P4 -","4","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0323","0.0274","","","0.0683","0.0721","","","","","","1.029","","","","has coordinates","300587","2025-07-06","14:10:05",""
"1574163","18.1433","0.0004","18.6339","0.0004","20.1323","0.0005","77.529","0.002","85.25","0.002","79.331","0.002","6524.4","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","{[{N(2,6-iPr-C6H3)}2(CMe)2CH]GaP[As{N(2,6-iPr-C6H3)}2(CH2)2]CS2}2*3.5pent","","- C129.5 H200 As2 Ga2 N8 P2 S4 -","- C129.5 H200 As2 Ga2 N8 P2 S4 -","- C259 H400 As4 Ga4 N16 P4 S8 -","2","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0593","0.042","","","0.1054","0.1183","","","","","","1.017","","","","has coordinates,has disorder","300587","2025-07-06","14:10:05",""
"1574164","13.4475","0.0002","20.8956","0.0003","24.4457","0.0003","90","","90","","90","","6869.08","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]Ga[CyNCNCy]PAs[{N(2,6-iPr-C6H3)}2(CH2)2]*C6H6","","- C74 H107 As Ga N6 P -","- C74 H107 As Ga N6 P -","- C296 H428 As4 Ga4 N24 P4 -","4","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0318","0.0286","","","0.0678","0.0696","","","","","","1.033","","","","has coordinates,has disorder","300587","2025-07-06","14:10:05",""
"1574165","15.3228","0.0001","14.2179","0.0001","15.4652","0.0001","90","","92.946","0.001","90","","3364.77","0.04","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[(NDipp)2(CMe)2CH]Ga(CS2)PP[{N(2,6-iPr-C6H3)}2(CH2)2]*2hex","","- C68 H107 Ga N4 P2 S2 -","- C68 H107 Ga N4 P2 S2 -","- C136 H214 Ga2 N8 P4 S4 -","2","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0262","0.025","","","0.0631","0.0641","","","","","","1.04","","","","has coordinates,has disorder","300587","2025-07-06","14:10:05",""
"1574166","12.6878","0.0002","22.5101","0.0003","22.5732","0.0003","75.984","0.001","77.148","0.001","87.776","0.001","6097.57","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]Ga(tBuN3)PAs[{N(2,6-iPr-C6H3)}2(CH2)2]*0.5C6H6","","- C62 H91 As Ga N7 P -","- C62 H91 As Ga N7 P -","- C248 H364 As4 Ga4 N28 P4 -","4","2","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0303","0.0258","","","0.066","0.069","","","","","","1.021","","","","has coordinates","300587","2025-07-06","14:10:05",""
"1574167","21.6461","0.0001","16.5972","0.0001","22.5185","0.0001","90","","106.036","0.001","90","","7775.3","0.08","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(NDipp)2(CMe)2CH]Ga(OCHPh)PAs[{N(2,6-iPr-C6H3)}2(CH2)2]*4C6H6","","- C86 H109 As Ga N4 O P -","- C86 H109 As Ga N4 O P -","- C344 H436 As4 Ga4 N16 O4 P4 -","4","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0532","0.0442","","","0.1097","0.1196","","","","","","1.039","","","","has coordinates,has disorder","300587","2025-07-06","14:10:05",""
"1574168","16.3651","0.0001","18.4812","0.0001","18.6521","0.0001","90","","90","","90","","5641.27","0.06","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","[(NDipp)2(CMe)2CH]Ga(O2C)2As{[N(2,6-iPr-C6H3)]2(CH2)2}","","- C57 H79 As Ga N4 O4 P -","- C57 H79 As Ga N4 O4 P -","- C228 H316 As4 Ga4 N16 O16 P4 -","4","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0357","0.0347","","","0.0952","0.0958","","","","","","1.076","","","","has coordinates","300587","2025-07-06","14:10:05",""
"1574169","26.5128","0.0016","13.4752","0.0007","33.7623","0.0019","90","","90","","90","","12062.1","1.2","175","2","175","2","","","","","","","","8","P n a 21","P 2c -2n","33","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]GaP[As{N(2,6-iPr-C6H3)}2(CH2)2]","","- C63 H87 As Ga N4 O P S -","- C63 H87 As Ga N4 O P S -","- C504 H696 As8 Ga8 N32 O8 P8 S8 -","8","2","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","0.71073","MoKα","","0.0305","0.0263","","","0.0691","0.0726","","","","","","1.067","","","","has coordinates,has disorder","300587","2025-07-06","14:10:05",""
"1574170","24.3316","0.0019","30.387","0.002","18.6976","0.0009","90","","90","","90","","13824.3","1.6","297","2","297","2","","","","","","","","4","F m m 2","F 2 -2","42","","","","- C176 H80 In8 O64 -","- C176 H88 In8 O68 -","- C352 H176 In16 O136 -","2","0.125","","Li, Jiantang; Song, Zitong; Zhou, Xia; Wang, Xue; Feng, Meng; Wang, Dongmei; Chen, Banglin","Reticular chemistry guided function customization: a case study of constructing low-polarity channels for efficient C3H6/C2H4 separation","Chemical Science","2025","16","17","7411","7417","10.1039/D4SC07959K","","","1.54184","CuKα","","0.0572","0.0543","","","0.1701","0.1751","","","","","","1.113","","","","has coordinates","300581","2025-07-06","14:07:03",""
"1574171","11.1724","0.0009","14.0119","0.0009","17.0939","0.0012","90","","99.724","0.004","90","","2637.5","0.3","155","2","155","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 I N P -","- C29 H31 I N P -","- C116 H124 I4 N4 P4 -","4","1","","Wei, Jun-Hua; Xiao, Yao; Luo, Jian-Bin; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Kuang, Dai-Bin","Anion–π interaction guided switchable TADF and low-temperature phosphorescence in phosphonium salts for multiplexed anti-counterfeiting","Chemical Science","2025","16","17","7239","7248","10.1039/D5SC00522A","","","0.71073","MoKα","","0.071","0.0545","","","0.1395","0.1465","","","","","","1.092","","","","has coordinates","300579","2025-07-06","14:06:15",""
"1574172","9.6378","0.0008","8.2283","0.0008","32.674","0.003","90","","94.38","0.003","90","","2583.6","0.4","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 B F4 N P -","- C29 H31 B F4 N P -","- C116 H124 B4 F16 N4 P4 -","4","1","","Wei, Jun-Hua; Xiao, Yao; Luo, Jian-Bin; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Kuang, Dai-Bin","Anion–π interaction guided switchable TADF and low-temperature phosphorescence in phosphonium salts for multiplexed anti-counterfeiting","Chemical Science","2025","16","17","7239","7248","10.1039/D5SC00522A","","","0.71073","MoKα","","0.0639","0.043","","","0.096","0.1078","","","","","","1.046","","","","has coordinates","300579","2025-07-06","14:06:16",""
"1574173","9.2871","0.0003","13.5822","0.0005","21.8141","0.0008","90","","90","","90","","2751.61","0.17","100","2","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 F3 N O3 P S -","- C30 H31 F3 N O3 P S -","- C120 H124 F12 N4 O12 P4 S4 -","4","1","","Wei, Jun-Hua; Xiao, Yao; Luo, Jian-Bin; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Kuang, Dai-Bin","Anion–π interaction guided switchable TADF and low-temperature phosphorescence in phosphonium salts for multiplexed anti-counterfeiting","Chemical Science","2025","16","17","7239","7248","10.1039/D5SC00522A","","","0.71073","MoKα","","0.0387","0.0332","","","0.0731","0.0767","","","","","","1.049","","","","has coordinates","300579","2025-07-06","14:06:16",""
"1574174","11.896","0.006","12.504","0.006","14.801","0.007","90","","99.23","0.007","90","","2173.1","1.8","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","H-H","H-H","","- C22 H24 B10 -","- C22 H24 B10 -","- C88 H96 B40 -","4","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.1913","0.1187","","","0.1853","0.2188","","","","","","1.13","","","","has coordinates","300640","2025-07-06","14:34:35",""
"1574175","30.14","0.007","10.366","0.002","17.799","0.004","90","","123.658","0.002","90","","4628.7","1.7","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Br-Br","Br-Br","","- C22 H22 B10 Br2 -","- C22 H22 B10 Br2 -","- C176 H176 B80 Br16 -","8","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.0421","0.0281","","","0.0611","0.0631","","","","","","0.824","","","","has coordinates","300640","2025-07-06","14:34:35",""
"1574176","9.459","0.004","11.316","0.005","12.775","0.006","109.65","0.005","100.826","0.003","99.41","0.005","1226.3","0.9","143","2","143","2","","","","","","","","4","P -1","-P 1","2","T-H","T-H","","- C26 H26 B10 S -","- C26 H26 B10 S -","- C52 H52 B20 S2 -","2","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.0649","0.0416","","","0.0944","0.099","","","","","","0.872","","","","has coordinates","300640","2025-07-06","14:34:35",""
"1574177","30.08","0.008","10.105","0.003","17.857","0.005","90","","124.97","0.003","90","","4448","2","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Br-H","Br-H","","- C22 H23 B10 Br -","- C22 H23 B10 Br -","- C176 H184 B80 Br8 -","8","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.0486","0.037","","","0.1031","0.1153","","","","","","0.777","","","","has coordinates","300640","2025-07-06","14:34:35",""
"1574178","11.912","0.002","12.511","0.002","14.825","0.003","90","","99.261","0.003","90","","2180.6","0.7","208","2","208","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","H-H","","- C22 H24 B10 -","- C22 H24 B10 -","- C88 H96 B40 -","4","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.06","0.0462","","","0.1201","0.1294","","","","","","1.083","","","","has coordinates","300640","2025-07-06","14:34:35",""
"1574179","11.91","0.003","12.514","0.003","14.838","0.003","90","","99.142","0.003","90","","2183.4","0.9","243","2","243","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","H-H","","- C22 H24 B10 -","- C22 H24 B10 -","- C88 H96 B40 -","4","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.0639","0.0488","","","0.1263","0.1381","","","","","","0.962","","","","has coordinates","300640","2025-07-06","14:34:35",""
"1574180","11.075","0.004","19.436","0.008","13.485","0.005","90","","97.585","0.007","90","","2877.3","1.9","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","T-T","T-T","","- C30 H28 B10 S2 -","- C30 H28 B10 S2 -","- C120 H112 B40 S8 -","4","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.1054","0.0742","","","0.1658","0.1864","","","","","","1.092","","","","has coordinates,has disorder","300640","2025-07-06","14:34:35",""
"1574181","10.6028","0.001","14.0739","0.0012","18.2273","0.0016","79.307","0.004","73.787","0.004","73.152","0.004","2483.4","0.4","200","0.2","200","0.2","","","","","","","","7","P 1","P 1","1","","","","- C26.25 H23.5 Br Cl0.5 N O2 P -","- C26.25 H23.5 Br Cl0.5 N O2 P -","- C105 H94 Br4 Cl2 N4 O8 P4 -","4","4","","Luo, Shihui; Yuan, Xinzhu; Cheng, Jiangtao; Yang, Zhiping; Huang, Zhongxing; Wang, Jun (Joelle)","Enantioselective Zn-catalyzed hydrophosphinylation of nitrones: an efficient approach for constructing chiral α-hydroxyamino-phosphine oxides","Chemical Science","2025","16","16","7051","7056","10.1039/D5SC01453K","","x-ray","1.34138","GaKα","","0.0701","0.0628","","","0.1795","0.187","","","","","","1.111","","","","has coordinates,has disorder","300603","2025-07-06","14:15:53",""
"1574182","41.575","0.003","41.575","0.003","17.6054","0.0018","90","","90","","120","","26354","4","170","","170","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H46 B2 N2 O2 -","- C66 H46 B2 N2 O2 -","- C1188 H828 B36 N36 O36 -","18","1","","Wang, Xiaowei; Hua, Tao; Li, Nengquan; Chen, Guohao; Chen, Zhanxiang; Miao, Jingsheng; Cao, Xiaosong; Yang, Chuluo","Narrowband multi-resonance pure-red emitters via enhanced molecular orbital delocalization for high-performance organic light-emitting diodes","Chemical Science","2025","16","17","7495","7502","10.1039/D5SC01439E","","","1.34139","GaKα","","0.1575","0.0881","","","0.2167","0.265","","","","","","0.965","","","","has coordinates","300589","2025-07-06","14:10:45",""
"1574183","7.2681","0.0008","10.3927","0.001","19.5823","0.0019","89.272","0.003","87.184","0.004","87.05","0.004","1475.3","0.3","130","0.5","130","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C28 H34 Br K0.89 N2 Na0.11 O10 -","- C28 H34 Br K0.886 N2 Na0.114 O10 -","- C56 H68 Br2 K1.772 N4 Na0.228 O20 -","2","1","","Zaleskaya-Hernik, Marta; Salam, Rayhanus; González, Mario J.; Wilczek, Marcin; Dobrzycki, Łukasz; Busschaert, Nathalie; Romański, Jan","Squaramide-based ion pair receptors can facilitate transmembrane transport of KCl and zwitterions including highly polar amino acids","Chemical Science","2025","16","16","6982","6990","10.1039/D5SC00866B","","","0.71073","MoKα","","0.0557","0.0484","","","0.1048","0.1078","","","","","","1.212","","","","has coordinates,has disorder","300605","2025-07-06","14:16:34",""
"1574184","10.4131","0.001","14.6873","0.0014","16.6466","0.0016","114.844","0.003","102.121","0.003","98.221","0.003","2180.8","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H69 Hf N3 O7 -","- C43 H53 Hf N3 O6 -","- C86 H106 Hf2 N6 O12 -","2","1","","Zhao, Tiankun; Zhang, Qi; Zhao, Jialiu; Mei, Dongyu; Ma, Jing; Correia, Isabel; Yang, Zhongduo; Kim, Sa-Hyun; Huhn, Thomas","Synthesis and X-ray structure analysis of cytotoxic 2-picolylamino-type Hf<sup>IV</sup>-bis-chelated complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6674","6683","10.1039/d4dt02859g","","","1.34139","GaKα","","0.038","0.0369","","","0.0958","0.0965","","","","","","1.04","","","","has coordinates","300834","2025-07-06","16:07:18",""
"1574185","14.8827","0.0004","21.1323","0.0005","16.3445","0.0004","90","","113.719","0.003","90","","4706.2","0.2","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H52 Cl Hf N3 O6 -","- C43 H53 Cl Hf N3 O6 -","- C172 H212 Cl4 Hf4 N12 O24 -","4","1","","Zhao, Tiankun; Zhang, Qi; Zhao, Jialiu; Mei, Dongyu; Ma, Jing; Correia, Isabel; Yang, Zhongduo; Kim, Sa-Hyun; Huhn, Thomas","Synthesis and X-ray structure analysis of cytotoxic 2-picolylamino-type Hf<sup>IV</sup>-bis-chelated complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6674","6683","10.1039/d4dt02859g","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","300834","2025-07-06","16:07:18",""
"1574186","20.1153","0.0003","24.4281","0.0003","15.72562","0.00018","90","","89.9918","0.0011","90","","7727.23","0.17","220","0.15","220","0.15","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C80 H60 N6 O13 -","- C80 H60 N6 O13 -","- C320 H240 N24 O52 -","4","1","","Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie","Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence","Chemical Science","2025","16","17","7513","7522","10.1039/D4SC08811E","","x-ray","1.54184","CuKα","","0.0539","0.0477","","","0.1372","0.1442","","","","","","1.041","","","","has coordinates,has disorder","300586","2025-07-06","14:09:10",""
"1574187","24.6956","0.0004","24.6956","0.0004","25.1324","0.0005","90","","90","","120","","13274.1","0.4","100","0.1","100","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C55 H38 Cl4 N4 O8 -","- C55 H38 Cl4 N4 O8 -","- C495 H342 Cl36 N36 O72 -","9","0.5","","Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie","Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence","Chemical Science","2025","16","17","7513","7522","10.1039/D4SC08811E","","x-ray","1.54184","CuKα","","0.0767","0.0727","","","0.2146","0.2201","","","","","","1.089","","","","has coordinates,has disorder","300586","2025-07-06","14:09:11",""
"1574188","24.0509","0.0004","24.0509","0.0004","25.9832","0.0004","90","","90","","120","","13016.3","0.4","99.98","0.1","99.98","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C193 H141 Cl21 N12 O24 -","- C193.003 H141.005 Cl21.006 N12 O24 -","- C579.01 H423.014 Cl63.018 N36 O72 -","3","0.166667","","Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie","Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence","Chemical Science","2025","16","17","7513","7522","10.1039/D4SC08811E","","x-ray","1.54184","CuKα","","0.0721","0.0681","","","0.1871","0.1907","","","","","","1.067","","","","has coordinates,has disorder","300586","2025-07-06","14:09:13",""
"1574189","24.712","0.0005","24.712","0.0005","25.1045","0.0005","90","","90","","120","","13276.9","0.5","99.98","0.1","99.98","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C55 H38 Cl4 N4 O8 -","- C55 H38 Cl4 N4 O8 -","- C495 H342 Cl36 N36 O72 -","9","0.5","","Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie","Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence","Chemical Science","2025","16","17","7513","7522","10.1039/D4SC08811E","","x-ray","1.54184","CuKα","","0.0786","0.0749","","","0.2226","0.2266","","","","","","1.093","","","","has coordinates,has disorder","300586","2025-07-06","14:09:13",""
"1574190","24.6536","0.0008","24.6536","0.0008","25.2258","0.0012","90","","90","","120","","13278.1","0.9","298","2","298","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C57 H40 Cl2 N4 O8 -","- C57 H40 Cl2 N4 O8 -","- C513 H360 Cl18 N36 O72 -","9","1","","Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie","Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence","Chemical Science","2025","16","17","7513","7522","10.1039/D4SC08811E","","x-ray","0.71073","MoKα","","0.093","0.0558","","","0.145","0.1607","","","","","","1.07","","","","has coordinates,has disorder","300586","2025-07-06","14:09:13",""
"1574191","24.0472","0.0004","24.0472","0.0004","25.966","0.0005","90","","90","","120","","13003.6","0.4","99.99","0.1","99.99","0.1","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C180 H120 N12 O24 -","- C180 H120 N12 O24 -","- C540 H360 N36 O72 -","3","0.166667","","Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie","Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence","Chemical Science","2025","16","17","7513","7522","10.1039/D4SC08811E","","x-ray","1.54184","CuKα","","0.1251","0.1157","","","0.2923","0.304","","","","","","1.046","","","","has coordinates","300586","2025-07-06","14:09:13",""
"1574192","25.5478","0.0005","20.7666","0.0002","31.3909","0.0005","90","","110.188","0.002","90","","15631","0.5","100","0.4","100","0.4","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C84 H80 Cl6 O4 S2 -","- C84 H80 Cl6 O4 S2 -","- C672 H640 Cl48 O32 S16 -","8","1","","Zhang, Ruiying; Chen, Xinyu; Zhu, Lingyun; Huang, Yanxia; Zhai, Zi'ang; Wang, Qiang; Wang, Lingding; Wang, Taosong; Wang, Wei-Zhen; Ye, Ke-Yin; Li, Yuanming","Thiophene-backbone arcuate graphene nanoribbons: shotgun synthesis and length dependent properties","Chemical Science","2025","16","17","7366","7373","10.1039/D4SC08353A","","x-ray","1.3405","GaKα","","0.095","0.0842","","","0.2435","0.2535","","","","","","1.034","","","","has coordinates","300582","2025-07-06","14:07:17",""
"1574193","10.3995","0.0002","16.4712","0.0002","40.5773","0.0005","90","","91.448","0.001","90","","6948.36","0.18","100","0.9","100","0.9","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C82 H78 S2 -","- C82 H78 S2 -","- C328 H312 S8 -","4","1","","Zhang, Ruiying; Chen, Xinyu; Zhu, Lingyun; Huang, Yanxia; Zhai, Zi'ang; Wang, Qiang; Wang, Lingding; Wang, Taosong; Wang, Wei-Zhen; Ye, Ke-Yin; Li, Yuanming","Thiophene-backbone arcuate graphene nanoribbons: shotgun synthesis and length dependent properties","Chemical Science","2025","16","17","7366","7373","10.1039/D4SC08353A","","x-ray","1.3405","micro-focusmetaljet","","0.0897","0.0791","","","0.2132","0.2214","","","","","","1.047","","","","has coordinates","300582","2025-07-06","14:07:18",""
"1574194","32.5164","0.0015","8.8531","0.0005","13.5952","0.0006","90","","90","","90","","3913.7","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(azido-κ<i>N</i>)bis(quinolin-8-amine-κ^2^<i>N</i>,<i>N</i>')iron(II) monohydrate","","- C18 H18 Fe N10 O -","- C18 H18 Fe N10 O -","- C144 H144 Fe8 N80 O8 -","8","1","ZL4079","Setifi, Fatima; Setifi, Zouaoui; Reuter, Hans; Al-Douh, Mohammad Hadi; Addala, Abderezak","Bis(azido-κN)bis(quinolin-8-amine-κ2 N,N′)iron(II) monohydrate","IUCrData","2025","10","3","x250235","","10.1107/S2414314625002354","","","0.71073","MoKα","","0.0926","0.0473","","","0.09","0.0995","","","","","","0.932","","","","has coordinates","300370","2025-07-05","10:15:19",""
"1574195","11.6654","0.0009","19.2138","0.0015","19.8632","0.0016","93.254","0.002","103.495","0.002","105.235","0.002","4143.8","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.5 H61 Mo O3 P2 S -","- C40.5 H61 Mo O3 P2 S -","- C162 H244 Mo4 O12 P8 S4 -","4","2","","Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.","Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion","Chemical Science","2025","16","17","7347","7365","10.1039/D5SC00454C","","","0.71073","MoKα","","0.0856","0.0639","","","0.1372","0.1464","","","","","","1.099","","","","has coordinates,has disorder","300583","2025-07-06","14:07:53",""
"1574196","10.0985","0.0017","12.043","0.002","16.428","0.003","76.957","0.003","82.444","0.003","73.782","0.003","1863.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H55 I Mo N P2 S -","- C35 H55 I Mo N P2 S -","- C70 H110 I2 Mo2 N2 P4 S2 -","2","1","","Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.","Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion","Chemical Science","2025","16","17","7347","7365","10.1039/D5SC00454C","","","0.71073","MoKα","","0.1065","0.0705","","","0.1396","0.1546","","","","","","1.066","","","","has coordinates","300583","2025-07-06","14:07:53",""
"1574197","31.877","0.008","14.204","0.004","18.861","0.005","90","","90","","90","","8540","4","426","2","426","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C41 H65.5 Mo N O2 P2 S -","- C41 H65.5 Mo N O2 P2 S -","- C328 H524 Mo8 N8 O16 P16 S8 -","8","1","","Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.","Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion","Chemical Science","2025","16","17","7347","7365","10.1039/D5SC00454C","","","0.71073","MoKα","","0.1222","0.0913","","","0.1875","0.2014","","","","","","1.166","","","","has coordinates,has disorder","300583","2025-07-06","14:07:53",""
"1574198","18.017","0.003","13.531","0.003","18.041","0.003","90","","97.035","0.003","90","","4365.1","1.4","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H63 Cl I Mo N P2 S -","- C41 H63 Cl I Mo N P2 S -","- C164 H252 Cl4 I4 Mo4 N4 P8 S4 -","4","1","","Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.","Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion","Chemical Science","2025","16","17","7347","7365","10.1039/D5SC00454C","","","0.71073","MoKα","","0.0706","0.0574","","","0.1452","0.1541","","","","","","1.095","","","","has coordinates,has disorder","300583","2025-07-06","14:07:53",""
"1574199","31.9495","0.0003","14.14073","0.00019","18.9898","0.0002","90","","90","","90","","8579.39","0.17","100","2","100","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C38 H63.5 Mo N5 O0.75 P2 S -","- C38 H63.5 Mo N5 O0.75 P2 S -","- C304 H508 Mo8 N40 O6 P16 S8 -","8","1","","Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.","Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion","Chemical Science","2025","16","17","7347","7365","10.1039/D5SC00454C","","","1.54184","CuKα","","0.0667","0.0546","","","0.1249","0.1318","","","","","","1.109","","","","has coordinates,has disorder","300583","2025-07-06","14:07:53",""
"1574200","37.379","0.003","11.6548","0.0011","37.069","0.003","90","","90.266","0.003","90","","16149","2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H60 Cl3 Mo O0.5 P2 S -","- C37 H60 Cl2.9985 Mo0.9995 O0.5 P2 S -","- C592 H960 Cl47.976 Mo15.992 O8 P32 S16 -","16","2","","Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.","Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion","Chemical Science","2025","16","17","7347","7365","10.1039/D5SC00454C","","","0.71073","MoKα","","0.1393","0.0846","","","0.1713","0.1951","","","","","","1.052","","","","has coordinates,has disorder","300583","2025-07-06","14:07:53",""
"1574201","4.9533","0.001","16.174","0.003","32.778","0.006","101.872","0.003","93.3","0.004","97.149","0.004","2540.5","0.8","130","2","130","2","","","","","","","","6","P -1","-P 1","2","Celecoxib form I","4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide","","- C17 H14 F3 N3 O2 S -","- C17 H14 F3 N3 O2 S -","- C102 H84 F18 N18 O12 S6 -","6","3","","Zhou, Zhengzheng; Joshi, Vikram Chandrashekhar; Guo, Yiwang; Xiang, Tianyi; Wang, Zijian; Sun, Changquan Calvin","How elastically flexible can molecular crystals be? - a new record.","Chemical science","2025","16","14","5797","5802","10.1039/d5sc01260k","","","0.71073","MoKα","","0.0667","0.0442","","","0.0932","0.1026","","","","","","1.041","","","","has coordinates","298829","2025-04-05","02:31:39",""
"1574202","19.411","0.013","20.798","0.016","27.8","0.017","81.778","0.018","75.137","0.015","83.738","0.018","10705","13","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C183 H177 Ag14 O21 P7 Pt S6 -","- C183 H177 Ag14 O21 P7 Pt S6 -","- C366 H354 Ag28 O42 P14 Pt2 S12 -","2","1","","Liu, Tingting; Li, Yuansheng; Zuo, Yang; Ma, Along; Wang, Yifei; Zhang, Shuo; Ma, Xiaoshuang; Yin, Zhengmao; Yang, Junxian; Wang, Shuxin","Impact of free valence electron contraction on the optical and electrocatalytic properties of nanoclusters: based on M<sub>1</sub>Ag<sub>14</sub> (M = Pt/Pd) series nanoclusters.","Nanoscale","2025","17","17","10886","10891","10.1039/d5nr00336a","","","0.71073","MoKα","","0.2266","0.0966","","","0.2076","0.2467","","","","","","0.862","","","","has coordinates","301024","2025-07-06","17:24:50",""
"1574203","17.014","0.0002","9.10342","0.00011","18.838","0.0003","90","","90","","90","","2917.73","0.07","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H32 F3 O4 P S -","- C32 H32 F3 O4 P S -","- C128 H128 F12 O16 P4 S4 -","4","1","","Curran, Dara T.; Szydło, Marcin; Müller-Bunz, Helge; Nikitin, Kirill; Byrne, Peter A.","Direct synthesis of ethers from alcohols & aldehydes enabled by an oxocarbenium ion interception strategy","Chemical Science","2025","16","16","6991","7003","10.1039/D4SC06203E","","","0.71073","MoKα","","0.0341","0.0304","","","0.0671","0.0701","","","","","","1.062","","","","has coordinates","300606","2025-07-06","14:16:45",""
"1574204","9.49648","0.00007","16.7085","0.00012","18.7984","0.00013","90","","95.9804","0.0006","90","","2966.55","0.04","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Cl3 F3 O4 P S -","- C29 H25 Cl3 F3 O4 P S -","- C116 H100 Cl12 F12 O16 P4 S4 -","4","1","","Curran, Dara T.; Szydło, Marcin; Müller-Bunz, Helge; Nikitin, Kirill; Byrne, Peter A.","Direct synthesis of ethers from alcohols & aldehydes enabled by an oxocarbenium ion interception strategy","Chemical Science","2025","16","16","6991","7003","10.1039/D4SC06203E","","","1.54184","CuKα","","0.0418","0.04","","","0.1044","0.1059","","","","","","1.045","","","","has coordinates","300606","2025-07-06","14:16:46",""
"1574205","9.7701","0.0002","13.8333","0.0002","25.5578","0.0004","90","","95.956","0.002","90","","3435.56","0.1","149.99","0.11","149.99","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 N10 O12 Zn2 -","- C32 H32 N10 O12 Zn2 -","- C128 H128 N40 O48 Zn8 -","4","0.5","","Koirala, Shailendra; Gaspar, Miguel A.; Wijesundara, Yalini H.; Li, Dong-Hao; Gadhvi, Jashkaran G.; Ehrman, Ryanne N.; Cornelius, Samuel A.; Mariasoosai, Charles; Nguyen, Thien-Quang N.; Trashi, Orikeda; Trashi, Ikeda; Kumari, Sneha; Hagge, Laurel M.; Howlett, Thomas S.; Torabifard, Hedieh; Smith, Bradley D.; De Nisco, Nicole J.; Gassensmith, Jeremiah J.","Fluorescent molecular probe for in vivo and in vitro targeting and imaging of an intracellular bacterial infection","Chemical Science","2025","16","18","7902","7911","10.1039/D4SC05680A","","x-ray","1.54184","CuKα","","0.0388","0.0345","","","0.0879","0.0904","","","","","","1.048","","","","has coordinates","300654","2025-07-06","14:41:47",""
"1574206","10.165","0.0003","10.5732","0.0004","20.3723","0.0008","100.082","0.003","101.234","0.003","94.294","0.003","2100.92","0.14","149.99","0.13","149.99","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C38 H37 F6 N9 O11 Zn2 -","- C38 H37 F6 N9 O11 Zn2 -","- C76 H74 F12 N18 O22 Zn4 -","2","1","","Koirala, Shailendra; Gaspar, Miguel A.; Wijesundara, Yalini H.; Li, Dong-Hao; Gadhvi, Jashkaran G.; Ehrman, Ryanne N.; Cornelius, Samuel A.; Mariasoosai, Charles; Nguyen, Thien-Quang N.; Trashi, Orikeda; Trashi, Ikeda; Kumari, Sneha; Hagge, Laurel M.; Howlett, Thomas S.; Torabifard, Hedieh; Smith, Bradley D.; De Nisco, Nicole J.; Gassensmith, Jeremiah J.","Fluorescent molecular probe for in vivo and in vitro targeting and imaging of an intracellular bacterial infection","Chemical Science","2025","16","18","7902","7911","10.1039/D4SC05680A","","x-ray","1.54184","CuKα","","0.0373","0.0349","","","0.0948","0.0964","","","","","","1.069","","","","has coordinates","300654","2025-07-06","14:41:48",""
"1574207","12.061","0.003","15.143","0.004","12.602","0.003","90","","97.363","0.006","90","","2282.6","1","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","KT-75","","- C36 H64 Cr O2 Si5 -","- C36 H64 Cr O2 Si5 -","- C72 H128 Cr2 O4 Si10 -","2","0.5","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","x-ray","0.71073","MoKα","","0.1195","0.083","","","0.23","0.2701","","","","","","1.025","","","","has coordinates,has disorder","300652","2025-07-06","14:40:19",""
"1574208","11.5444","0.0003","12.8236","0.0004","15.6549","0.0005","75.7391","0.0015","73.0022","0.0015","83.412","0.0015","2145.74","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","SH-50.03","","- C36 H64 O2 Si5 W -","- C36 H64 O2 Si5 W -","- C72 H128 O4 Si10 W2 -","2","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.0328","0.0261","","","0.0488","0.0509","","","","","","1.013","","","","has coordinates","300652","2025-07-06","14:40:19",""
"1574209","14.6764","0.0003","15.6767","0.0003","26.4415","0.0004","90","","93.7959","0.0016","90","","6070.25","0.19","123","","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","KT-54","","- C56 H86 Mo N2 O4 Si5 -","- C56 H86 Mo N2 O4 Si5 -","- C224 H344 Mo4 N8 O16 Si20 -","4","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.066","0.0374","","","0.0782","0.0848","","","","","","1.011","","","","has coordinates","300652","2025-07-06","14:40:19",""
"1574210","13.441","0.0002","14.406","0.0002","34.6694","0.0005","90","","99.326","0.001","90","","6624.34","0.17","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","KT-14","","- C63 H94 N2 O4 Si5 W -","- C63 H94 N2 O4 Si5 W -","- C252 H376 N8 O16 Si20 W4 -","4","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.0819","0.0393","","","0.0773","0.0856","","","","","","0.876","","","","has coordinates,has disorder","300652","2025-07-06","14:40:19",""
"1574211","12.1671","0.0003","42.6785","0.001","12.6572","0.0004","90","","118.635","0.002","90","","5768.7","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","KT-167","","- C44 H84 Mo N4 O2 Si7 -","- C44 H84 Mo N4 O2 Si7 -","- C176 H336 Mo4 N16 O8 Si28 -","4","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.0863","0.0761","","","0.1797","0.1874","","","","","","1.031","","","","has coordinates,has disorder","300652","2025-07-06","14:40:19",""
"1574212","13.2535","0.0004","22.9327","0.0008","16.6254","0.0005","90","","98.153","0.002","90","","5002","0.3","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","KT-125","","- C45 H75 Mo N O2 Si5 -","- C45 H75 Mo N O2 Si5 -","- C180 H300 Mo4 N4 O8 Si20 -","4","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.0818","0.0544","","","0.1089","0.1179","","","","","","1.065","","","","has coordinates","300652","2025-07-06","14:40:19",""
"1574213","11.5351","0.0007","12.8114","0.0007","15.6333","0.0009","75.707","0.003","73.035","0.003","83.321","0.003","2138.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","SH-49.02","","- C36 H64 Mo O2 Si5 -","- C36 H64 Mo O2 Si5 -","- C72 H128 Mo2 O4 Si10 -","2","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.0835","0.051","","","0.1132","0.1231","","","","","","1.052","","","","has coordinates","300652","2025-07-06","14:40:19",""
"1574214","17.438","0.003","16.527","0.003","33.683","0.01","90","","90","","90","","9707","4","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","KT-284","","- C40 H72 Mo O3 Si5 -","- C40 H72 Mo O3 Si5 -","- C320 H576 Mo8 O24 Si40 -","8","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.1427","0.0894","","","0.1756","0.1954","","","","","","1.046","","","","has coordinates,has disorder","300652","2025-07-06","14:40:19",""
"1574215","9.683","0.0001","23.8429","0.0002","28.0717","0.0004","90","","99.385","0.001","90","","6394.19","0.13","100","0.6","100","0.6","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C112 H112 B4 F16 N20 O8 Pd Pt -","- C100 H80 N16 O4 Pd Pt -","- C200 H160 N32 O8 Pd2 Pt2 -","2","0.5","","Gearing, Hayden B.; Cziferszky, Monika; Söhnel, Tilo; Wright, L. James; Crowley, James D.; Hartinger, Christian G.","Pd(μ-L)4Pt vs. Pd(μ-L)4RuCl2: chlorido ancillary ligands as defining factors in the host–guest interactions of M(μ-L)4M′ heterodimetallic supramolecular architectures","Chemical Science","2025","16","17","7294","7301","10.1039/D5SC00209E","","x-ray","1.54184","CuKα","","0.0616","0.0525","","","0.1293","0.1338","","","","","","1.122","","","","has coordinates,has disorder","300578","2025-07-06","14:06:04",""
"1574216","18.039","0.0003","18.039","0.0003","41.9278","0.0011","90","","90","","90","","13643.5","0.5","100","0.1","100","0.1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C118 H134 Cl2 N16 O13 Pd Ru S9 -","- C102 H86 Cl2 N16 O5 Pd Ru S -","- C408 H344 Cl8 N64 O20 Pd4 Ru4 S4 -","4","0.25","","Gearing, Hayden B.; Cziferszky, Monika; Söhnel, Tilo; Wright, L. James; Crowley, James D.; Hartinger, Christian G.","Pd(μ-L)4Pt vs. Pd(μ-L)4RuCl2: chlorido ancillary ligands as defining factors in the host–guest interactions of M(μ-L)4M′ heterodimetallic supramolecular architectures","Chemical Science","2025","16","17","7294","7301","10.1039/D5SC00209E","","","1.54184","CuKα","","0.0903","0.0591","","","0.1804","0.205","","","","","","0.98","","","","has coordinates,has disorder","300578","2025-07-06","14:06:04",""
"1574217","15.47952","0.00019","19.9749","0.0003","21.2142","0.0003","79.4685","0.0011","84.6071","0.001","73.5233","0.0011","6177.96","0.15","119.99","0.13","119.99","0.13","","","","","","","","9","P -1","-P 1","2","","","","- C128 H128 B2 F8 N22 O16 Pd Pt S2 -","- C113 H93 B2 F8 N17 O11 Pd Pt S2 -","- C226 H186 B4 F16 N34 O22 Pd2 Pt2 S4 -","2","1","","Gearing, Hayden B.; Cziferszky, Monika; Söhnel, Tilo; Wright, L. James; Crowley, James D.; Hartinger, Christian G.","Pd(μ-L)4Pt vs. Pd(μ-L)4RuCl2: chlorido ancillary ligands as defining factors in the host–guest interactions of M(μ-L)4M′ heterodimetallic supramolecular architectures","Chemical Science","2025","16","17","7294","7301","10.1039/D5SC00209E","","","1.54184","CuKα","","0.0557","0.0512","","","0.1339","0.1371","","","","","","1.018","","","","has coordinates,has disorder","300578","2025-07-06","14:06:04",""
"1574218","17.9514","0.0009","7.1173","0.0007","18.5132","0.0009","90","","97.763","0.005","90","","2343.7","0.3","170","2","170","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C66 H54 N2 O2 -","- C66 H55 N2 O2 -","- C132 H110 N4 O4 -","2","1","","Chen, Xu-Lang; Yu, Si-Qian; Zheng, Zi-You; Cheng, Zhao-Yi; Chen, An-Na; Liang, Jia-Qi; Sun, Xin; Zheng, Chunyang; Huang, Xiaohuan; Gong, Han-Yuan","Adaptive nitrogen-containing buckybowl: a versatile receptor for curved and planar aromatic molecules","Chemical Science","2025","16","17","7537","7543","10.1039/D5SC00988J","","","1.54184","CuKα","","0.1263","0.0878","","","0.2223","0.2509","","","","","","0.957","","","","has coordinates,has disorder","300584","2025-07-06","14:08:09",""
"1574219","8.4366","0.0002","11.2441","0.0002","22.9481","0.0005","90","","90","","90","","2176.9","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","","Maity, Anirban; Balanna, Kuruva; Daniliuc, Constantin G.; Studer, Armido","Diastereoselective 1,3-nitrooxygenation of bicyclo[1.1.0]butanes","Chemical Science","2025","16","17","7264","7269","10.1039/D4SC08753D","","x-ray","1.54178","CuKα","","0.0315","0.0291","","","0.0685","0.0699","","","","","","1.053","","","","has coordinates,has disorder","300577","2025-07-06","14:05:47",""
"1574220","9.3494","0.0015","11.9607","0.0034","11.0756","0.0031","90","","93.013","0.022","90","","1236.8","0.5","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","As-made PST-21 (134TMP)","zeolite","","- C4 N0.5 O10 Si5 -","- C4 N0.5 O10 Si5 -","- C16 N2 O40 Si20 -","4","1","","Kemp, Kingsley Christian; Altundal, Ömer F.; Jo, Donghui; Huang, Weidong; Wang, Qiang; Deng, Feng; Sastre, German; Hong, Suk Bong","The role of structural defects in the fluoride-mediated synthesis of aluminosilicate zeolites","Chemical Science","2025","16","17","7579","7589","10.1039/D5SC00899A","powder diffraction","x-ray","0.7","synchrotron","","","","","","","","0.06588","","3.6","","","","","","","has coordinates","300591","2025-07-06","14:11:05",""
"1574221","20.8038","0.0006","11.76087","0.00035","10.96997","0.00034","90","","118.744","0.0016","90","","2353.29","0.13","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","As-made PST-22 (135TMP)","zeolite","","- C4 N0.5 O10 Si5 -","- C4 N0.5 O10 Si5 -","- C32 N4 O80 Si40 -","8","1","","Kemp, Kingsley Christian; Altundal, Ömer F.; Jo, Donghui; Huang, Weidong; Wang, Qiang; Deng, Feng; Sastre, German; Hong, Suk Bong","The role of structural defects in the fluoride-mediated synthesis of aluminosilicate zeolites","Chemical Science","2025","16","17","7579","7589","10.1039/D5SC00899A","powder diffraction","x-ray","0.692647","synchrotron","","","","","","","","0.11601","","4.52","","","","","","","has coordinates","300591","2025-07-06","14:11:06",""
"1574222","26.4912","0.0017","11.0501","0.0007","22.145","0.0015","90","","90","","90","","6482.5","0.7","123","2","123","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H26 N4 Pt -","- C24 H26 N4 Pt -","- C192 H208 N32 Pt8 -","8","2","","Dang, Vinh Q.; Jiang, Chenggang; Teets, Thomas S.","Enhanced blue phosphorescence in platinum acetylide complexes via a secondary heavy metal and anion-controlled aggregation","Chemical Science","2025","16","17","7302","7310","10.1039/D5SC00172B","","","0.71073","MoKα","","0.0481","0.0325","","","0.0612","0.0656","","","","","","1.025","","","","has coordinates","300576","2025-07-06","14:05:08",""
"1574223","11.611","0.005","13.011","0.006","21.235","0.009","90","","101.158","0.005","90","","3147","2","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H56 Ag2 Cl4 F12 N8 P2 Pt2 -","- C50 H56 Ag2 Cl4 F12 N8 P2 Pt2 -","- C100 H112 Ag4 Cl8 F24 N16 P4 Pt4 -","2","0.5","","Dang, Vinh Q.; Jiang, Chenggang; Teets, Thomas S.","Enhanced blue phosphorescence in platinum acetylide complexes via a secondary heavy metal and anion-controlled aggregation","Chemical Science","2025","16","17","7302","7310","10.1039/D5SC00172B","","","0.71073","MoKα","","0.0625","0.048","","","0.0936","0.0988","","","","","","1.057","","","","has coordinates","300576","2025-07-06","14:05:35",""
"1574224","11.975","0.003","15.698","0.004","19.951","0.005","79.386","0.003","84.09","0.004","71.728","0.003","3496.3","1.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 N4 Pt -","- C36 H38 N4 Pt -","- C144 H152 N16 Pt4 -","4","2","","Dang, Vinh Q.; Jiang, Chenggang; Teets, Thomas S.","Enhanced blue phosphorescence in platinum acetylide complexes via a secondary heavy metal and anion-controlled aggregation","Chemical Science","2025","16","17","7302","7310","10.1039/D5SC00172B","","","0.71073","MoKα","","0.0621","0.036","","","0.0703","0.0791","","","","","","0.981","","","","has coordinates,has disorder","300576","2025-07-06","14:05:36",""
"1574225","10.1312","0.0018","13.882","0.003","25.808","0.005","89.634","0.002","78.885","0.002","75.512","0.002","3445","1.2","123.22","","123.22","","","","","","","","","9","P -1","-P 1","2","","","","- C53 H64 Cl2 Cu2 F12 N8 O P2 Pt2 -","- C53 H64 Cl2 Cu2 F12 N8 O P2 Pt2 -","- C106 H128 Cl4 Cu4 F24 N16 O2 P4 Pt4 -","2","1","","Dang, Vinh Q.; Jiang, Chenggang; Teets, Thomas S.","Enhanced blue phosphorescence in platinum acetylide complexes via a secondary heavy metal and anion-controlled aggregation","Chemical Science","2025","16","17","7302","7310","10.1039/D5SC00172B","","","0.71073","MoKα","","0.0542","0.0368","","","0.0852","0.0906","","","","","","1.064","","","","has coordinates","300576","2025-07-06","14:05:38",""
"1574226","11.012","0.006","13.113","0.007","14.893","0.008","80.8","0.04","82.41","0.04","67.88","0.03","1960.6","1.9","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","1","0.5","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","0.71073","MoKα","","0.0555","0.0418","","","0.1016","0.1075","","","","","","1.058","","","","has coordinates,has disorder","300647","2025-07-06","14:36:44",""
"1574227","10.747","0.002","13.208","0.003","14.68","0.003","93.24","0.02","99.84","0.02","113.19","0.03","1869.5","0.8","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","1","0.5","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","0.71073","MoKα","","0.0463","0.0371","","","0.0922","0.0964","","","","","","1.036","","","","has coordinates","300647","2025-07-06","14:36:46",""
"1574228","4.283","0.004","9.818","0.008","12.062","0.009","84.15","0.04","81.63","0.04","79.92","0.03","492.5","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H8 N4 O2 -","- C11 H8 N4 O2 -","- C22 H16 N8 O4 -","2","1","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","0.71073","MoKα","","0.093","0.0514","","","0.0931","0.1083","","","","","","1.037","","","","has coordinates","300647","2025-07-06","14:36:54",""
"1574229","10.755","0.002","13.221","0.003","14.686","0.003","93.25","0.02","99.83","0.02","113.15","0.03","1874.1","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","1","0.5","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","0.71073","MoKα","","0.0488","0.0386","","","0.0936","0.0977","","","","","","1.058","","","","has coordinates","300647","2025-07-06","14:36:54",""
"1574230","10.816","0.003","13.308","0.004","14.753","0.004","93.25","0.02","99.7","0.02","112.47","0.03","1917.1","1.1","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","1","0.5","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","0.71073","MoKα","","0.0571","0.041","","","0.0989","0.1053","","","","","","1.041","","","","has coordinates,has disorder","300647","2025-07-06","14:36:54",""
"1574231","10.71","0.002","12.918","0.003","14.735","0.004","81.53","0.03","82.54","0.03","68.41","0.02","1868.6","0.8","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","1","0.5","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","0.71073","MoKα","","0.045","0.0367","","","0.0885","0.0918","","","","","","1.06","","","","has coordinates,has disorder","300647","2025-07-06","14:36:54",""
"1574232","6.597","0.002","12.473","0.004","12.691","0.004","101.07","0.03","99.32","0.03","97.21","0.02","998","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N8 O4 -","- C22 H16 N8 O4 -","- C44 H32 N16 O8 -","2","1","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","1.54184","CuKα","","0.0555","0.0514","","","0.1452","0.1497","","","","","","1.077","","","","has coordinates","300647","2025-07-06","14:36:54",""
"1574233","7.4231","0.0004","13.2052","0.0005","12.2802","0.0007","90","","99.725","0.004","90","","1186.45","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-4<i>H</i>,5<i>H</i>,6<i>H</i>,7<i>H</i>,8<i>H</i>,9<i>H</i>,10<i>H</i>,11<i>H</i>-Cyclodeca[<i>d</i>][1,2,3]selenadiazole-8-carboxylic acid","","- C11 H16 N2 O2 Se -","- C11 H16 N2 O2 Se -","- C44 H64 N8 O8 Se4 -","4","1","VM4065","Schollmeyer, Dieter; Detert, Heiner","rac-4H,5H,6H,7H,8H,9H,10H,11H-Cyclodeca[d][1,2,3]selenadiazole-8-carboxylic acid","IUCrData","2025","10","3","x250242","","10.1107/S2414314625002421","","","0.71073","MoKα","","0.0429","0.0317","","","0.0812","0.0853","","","","","","1.041","","","","has coordinates,has disorder","300370","2025-07-05","10:15:19",""
"1574234","7.0728","0.0005","12.2024","0.0009","16.3422","0.0011","90","","90","","90","","1410.42","0.17","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N4 O -","- C16 H14 N4 O -","- C64 H56 N16 O4 -","4","1","","R., Nandini; Kempegowda, Byresh B.; Srinivasa, Sudhanva M.; Kshirsagar, Umesh A.; Malecki, Jan Grzegorz; Patil, Siddappa A.; Shaikh, Shoyebmohamad F.; Mane, Manoj V.; Dateer, Ramesh B.","Sustainable copper nanocomposite for multicomponent synthesis of triazolo quinolines and triazolyl benzamide derivatives and their bioactivity study","Catalysis Science & Technology","2025","15","9","2878","2887","10.1039/D4CY01225A","","x-ray","0.71073","MoKα","","0.0797","0.0493","","","0.103","0.122","","","","","","1.054","","","","has coordinates","300393","2025-07-06","12:39:11",""
"1574235","7.0038","0.0008","12.3433","0.0013","16.3586","0.0017","90","","90","","90","","1414.2","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl N4 O -","- C15 H11 Cl N4 O -","- C60 H44 Cl4 N16 O4 -","4","1","","R., Nandini; Kempegowda, Byresh B.; Srinivasa, Sudhanva M.; Kshirsagar, Umesh A.; Malecki, Jan Grzegorz; Patil, Siddappa A.; Shaikh, Shoyebmohamad F.; Mane, Manoj V.; Dateer, Ramesh B.","Sustainable copper nanocomposite for multicomponent synthesis of triazolo quinolines and triazolyl benzamide derivatives and their bioactivity study","Catalysis Science & Technology","2025","15","9","2878","2887","10.1039/D4CY01225A","","x-ray","0.71073","MoKα","","0.1288","0.0552","","","0.092","0.115","","","","","","0.995","","","","has coordinates","300393","2025-07-06","12:39:13",""
"1574236","8.7311","0.0008","9.24","0.0007","12.135","0.0008","98.305","0.006","97.293","0.007","105.502","0.007","919.31","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C44 H36 N8 O4 -","2","1","","R., Nandini; Kempegowda, Byresh B.; Srinivasa, Sudhanva M.; Kshirsagar, Umesh A.; Malecki, Jan Grzegorz; Patil, Siddappa A.; Shaikh, Shoyebmohamad F.; Mane, Manoj V.; Dateer, Ramesh B.","Sustainable copper nanocomposite for multicomponent synthesis of triazolo quinolines and triazolyl benzamide derivatives and their bioactivity study","Catalysis Science & Technology","2025","15","9","2878","2887","10.1039/D4CY01225A","","x-ray","0.71073","MoKα","","0.0922","0.0506","","","0.0985","0.1226","","","","","","1.033","","","","has coordinates","300393","2025-07-06","12:39:13",""
"1574237","7.6099","0.0009","9.9948","0.0013","12.3384","0.0012","101.58","0.01","91.165","0.009","107.833","0.011","871.8","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 F N4 O -","- C21 H15 F N4 O -","- C42 H30 F2 N8 O2 -","2","1","","R., Nandini; Kempegowda, Byresh B.; Srinivasa, Sudhanva M.; Kshirsagar, Umesh A.; Malecki, Jan Grzegorz; Patil, Siddappa A.; Shaikh, Shoyebmohamad F.; Mane, Manoj V.; Dateer, Ramesh B.","Sustainable copper nanocomposite for multicomponent synthesis of triazolo quinolines and triazolyl benzamide derivatives and their bioactivity study","Catalysis Science & Technology","2025","15","9","2878","2887","10.1039/D4CY01225A","","x-ray","0.71073","MoKα","","0.0866","0.0488","","","0.0956","0.1154","","","","","","1.011","","","","has coordinates","300393","2025-07-06","12:39:13",""
"1574238","7.5949","0.0008","9.8677","0.0012","12.6331","0.0014","80.581","0.01","89.927","0.009","73.743","0.01","895.67","0.18","295","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N4 O -","- C22 N4 O -","- C44 N8 O2 -","2","1","","R., Nandini; Kempegowda, Byresh B.; Srinivasa, Sudhanva M.; Kshirsagar, Umesh A.; Malecki, Jan Grzegorz; Patil, Siddappa A.; Shaikh, Shoyebmohamad F.; Mane, Manoj V.; Dateer, Ramesh B.","Sustainable copper nanocomposite for multicomponent synthesis of triazolo quinolines and triazolyl benzamide derivatives and their bioactivity study","Catalysis Science & Technology","2025","15","9","2878","2887","10.1039/D4CY01225A","","","0.71073","MoKα","","0.1743","0.0566","","","0.0916","0.1336","","","","","","0.9242","","","","has coordinates","300393","2025-07-06","12:39:13",""
"1574239","23.4527","0.0004","23.4527","0.0004","12.5316","0.0004","90","","90","","90","","6892.7","0.3","120.1","0.4","120.1","0.4","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C12 H12 Fe0.67 N8 Zn1.33 -","- C12 H12 Fe0.6666 N8 Zn1.3334 -","- C192 H192 Fe10.6656 N128 Zn21.3344 -","16","1","","León-Alcaide, Luis; Castillo-Blas, Celia; Martin-Diaconescu, Vlad; da Silva, Ivan; Keen, David A.; Bennett, Thomas D.; Mínguez Espallargas, Guillermo","Solvent-free approach for the synthesis of heterometallic Fe–Zn-ZIF glass via a melt-quenched process","Chemical Science","2025","16","18","7946","7955","10.1039/D5SC00767D","","x-ray","1.54184","CuKα","","0.0544","0.0417","","","0.1098","0.1199","","","","","","0.986","","","","has coordinates","300650","2025-07-06","14:39:11",""
"1574240","10.3884","0.0001","13.2702","0.0002","10.4428","0.0001","90","","92.554","0.001","90","","1438.17","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Fe N16 Zn2 -","- C24 H26 Fe N16 Zn2 -","- C48 H52 Fe2 N32 Zn4 -","2","0.5","","León-Alcaide, Luis; Castillo-Blas, Celia; Martin-Diaconescu, Vlad; da Silva, Ivan; Keen, David A.; Bennett, Thomas D.; Mínguez Espallargas, Guillermo","Solvent-free approach for the synthesis of heterometallic Fe–Zn-ZIF glass via a melt-quenched process","Chemical Science","2025","16","18","7946","7955","10.1039/D5SC00767D","","x-ray","1.54184","CuKα","","0.0288","0.0265","","","0.0704","0.076","","","","","","1.108","","","","has coordinates","300650","2025-07-06","14:39:13",""
"1574241","17.517","0.0013","14.5182","0.0009","9.5517","0.0007","90","","90","","90","","2429.1","0.3","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H29 N3 O3 -","- C28 H29 N3 O3 -","- C112 H116 N12 O12 -","4","1","","Patra, Koushik; Deb, Samiran; Kumar Choutipalli, Venkata Surya; Mulani, Sana; Mallik, Sumitava; Subramanian, Venkatesan; Baidya, Mahiuddin","Transforming 2D azolium salts to 3D caged tertiary amines via stereoselective dearomative cascade annulation","Chemical Science","2025","16","17","7551","7559","10.1039/D5SC01527H","","","0.71073","MoKα","","0.0898","0.0743","","","0.1548","0.1627","","","","","","1.135","","","","has coordinates,has disorder","300585","2025-07-06","14:08:21",""
"1574242","14.4693","0.0004","9.1908","0.0003","19.4408","0.0006","90","","99.968","0.003","90","","2546.3","0.14","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Br2 Cl2 N4 Pd -","- C23 H26 Br2 Cl2 N4 Pd -","- C92 H104 Br8 Cl8 N16 Pd4 -","4","0.5","","Lodge, Rhys W.; Cull, William J.; Weilhard, Andreas; Argent, Stephen P.; Alves Fernandes, Jesum; Khlobystov, Andrei N.","A nanoscale chemical oscillator: reversible formation of palladium nanoparticles in ionic liquid.","Nanoscale","2025","17","16","10105","10116","10.1039/d4nr04150j","","x-ray","0.71073","MoKα","","0.0495","0.0357","","","0.0731","0.0801","","","","","","1.165","","","","has coordinates","301025","2025-07-06","17:25:09",""
"1574243","8.5019","0.0006","31.998","0.002","9.5689","0.0006","90","","109.195","0.002","90","","2458.4","0.3","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H N O -","- C2.53061 H1.95918 N0.163265 O0.408163 -","- C124 H96 N8 O20 -","49","12.25","","Banik, Dipanjan; Banerjee, Shilpita; Halder, Satyajit; Ganguly, Rajdeep; Karak, Anirban; Ghosh, Pintu; Jana, Kuladip; Mahapatra, Ajit Kumar","A dual-responsive ratiometric fluorescent probe for the detection of hypochlorite and hydrazine in environmental samples, live cells, and plant tissues.","Analytical methods : advancing methods and applications","2025","17","16","3290","3304","10.1039/d5ay00153f","","","0.71073","MoKα","","0.1037","0.0511","","","0.1351","0.1926","","","","","","0.95","","","","has coordinates","300385","2025-07-06","12:36:54",""
"1574244","24.4631","0.0001","9.3458","0.0001","15.1792","0.0001","90","","106.165","0.001","90","","3333.17","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 B F3 N2 -","- C20 H14 B F3 N2 -","- C160 H112 B8 F24 N16 -","8","2","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0356","0.0335","","","0.0875","0.0892","","","","","","1.026","","","","has coordinates,has disorder","300580","2025-07-06","14:06:50",""
"1574245","11.2851","0.0002","15.51","0.0002","17.2399","0.0002","90","","90","","90","","3017.53","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 B Li N2 O2 -","- C33 H40 B Li N2 O2 -","- C132 H160 B4 Li4 N8 O8 -","4","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0673","0.0615","","","0.1653","0.1703","","","","","","1.06","","","","has coordinates,has disorder","300580","2025-07-06","14:06:51",""
"1574246","10.5979","0.0001","15.3284","0.0002","11.9288","0.0001","90","","104.056","0.001","90","","1879.8","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 B N2 -","- C23 H23 B N2 -","- C92 H92 B4 N8 -","4","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0418","0.0398","","","0.1032","0.1047","","","","","","1.016","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574247","11.2275","0.0002","9.6336","0.0002","13.9575","0.0003","90","","101.194","0.002","90","","1480.94","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 B N2 -","- C19 H15 B N2 -","- C76 H60 B4 N8 -","4","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0518","0.0434","","","0.1002","0.1045","","","","","","1.043","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574248","9.8105","0.0001","16.1727","0.0002","20.3437","0.0003","90","","97.146","0.001","90","","3202.71","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H51 B F N3 -","- C35 H51 B F N3 -","- C140 H204 B4 F4 N12 -","4","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0592","0.0481","","","0.115","0.1205","","","","","","1.092","","","","has coordinates,has disorder","300580","2025-07-06","14:06:51",""
"1574249","13.3766","0.0001","12.6462","0.0001","11.1821","0.0001","90","","110.669","0.001","90","","1769.85","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 B N2 -","- C22 H21 B N2 -","- C88 H84 B4 N8 -","4","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0413","0.0388","","","0.0986","0.1005","","","","","","1.037","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574250","6.5265","0.0001","9.4226","0.0002","14.2267","0.0002","106.057","0.001","93.734","0.001","100.512","0.002","820.44","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 B N2 O -","- C20 H17 B N2 O -","- C40 H34 B2 N4 O2 -","2","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.048","0.0438","","","0.1194","0.1247","","","","","","1.085","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574251","8.8219","0.0002","9.3512","0.0002","10.407","0.0002","84.139","0.002","68.542","0.002","74.66","0.002","770.54","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 B N2 O Si -","- C16 H19 B N2 O Si -","- C32 H38 B2 N4 O2 Si2 -","2","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0288","0.0285","","","0.0783","0.0786","","","","","","1.082","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574252","23.6005","0.0002","6.8997","0.0001","14.1673","0.0001","90","","90","","90","","2306.95","0.04","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H13 B N2 -","- C14 H13 B N2 -","- C112 H104 B8 N16 -","8","2","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0349","0.0336","","","0.0899","0.0908","","","","","","1.052","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574253","12.4734","0.0001","10.9242","0.0001","15.9763","0.0001","90","","90.072","0.001","90","","2176.96","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 B N2 O -","- C13 H11 B N2 O -","- C104 H88 B8 N16 O8 -","8","2","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0408","0.0382","","","0.1071","0.1092","","","","","","1.053","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574254","12.2633","0.0001","17.3966","0.0001","16.986","0.0002","90","","105.539","0.001","90","","3491.33","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H56 B N3 -","- C41 H56 B N3 -","- C164 H224 B4 N12 -","4","0.5","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0431","0.0414","","","0.1029","0.1046","","","","","","1.081","","","","has coordinates,has disorder","300580","2025-07-06","14:06:51",""
"1574255","17.0832","0.0002","10.345","0.0001","18.6658","0.0003","90","","91.804","0.001","90","","3297.09","0.07","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C36 H50 B N4 O -","- C36 H50 B N4 O -","- C144 H200 B4 N16 O4 -","4","2","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0456","0.0433","","","0.1157","0.1182","","","","","","1.028","","","","has coordinates,has disorder","300580","2025-07-06","14:06:51",""
"1574256","9.5035","0.0002","18.6014","0.0004","19.0874","0.0002","87.741","0.001","87.477","0.001","78.256","0.002","3298.8","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H51 B N4 -","- C35.998 H50.9955 B N4 -","- C143.992 H203.982 B4 N16 -","4","2","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.091","0.0715","","","0.2027","0.2161","","","","","","1.049","","","","has coordinates,has disorder","300580","2025-07-06","14:06:51",""
"1574257","13.4921","0.0004","17.9826","0.0006","5.1708","0.0001","90","","90","","90","","1254.56","0.06","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H10 F3 N3 O2 -","- C12 H10 F3 N3 O2 -","- C48 H40 F12 N12 O8 -","4","1","","Ji, Tingting; Yang, Xuesong; Chen, Quanliang; Zhang, Hongyu","Decimeter-length elastic organic crystals capable of mechanical post-processing and optical waveguide modulation at 77 K","Chemical Science","2025","16","18","8099","8107","10.1039/D4SC07313D","","","0.71073","MoKα","","0.0733","0.0455","","","0.0882","0.1","","","","","","1.06","","","","has coordinates,has disorder","300645","2025-07-06","14:36:04",""
"1574258","9.6318","0.0004","6.3855","0.0002","17.9069","0.0007","90","","93.53","0.002","90","","1099.25","0.07","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 F3 N3 O -","- C11 H8 F3 N3 O -","- C44 H32 F12 N12 O4 -","4","1","","Ji, Tingting; Yang, Xuesong; Chen, Quanliang; Zhang, Hongyu","Decimeter-length elastic organic crystals capable of mechanical post-processing and optical waveguide modulation at 77 K","Chemical Science","2025","16","18","8099","8107","10.1039/D4SC07313D","","","0.71073","MoKα","","0.0366","0.0311","","","0.0788","0.0829","","","","","","1.033","","","","has coordinates","300645","2025-07-06","14:36:04",""
"1574259","13.3841","0.0008","17.8129","0.001","5.0896","0.0002","90","","90","","90","","1213.41","0.11","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H10 F3 N3 O2 -","- C12 H10 F3 N3 O2 -","- C48 H40 F12 N12 O8 -","4","1","","Ji, Tingting; Yang, Xuesong; Chen, Quanliang; Zhang, Hongyu","Decimeter-length elastic organic crystals capable of mechanical post-processing and optical waveguide modulation at 77 K","Chemical Science","2025","16","18","8099","8107","10.1039/D4SC07313D","","","0.71073","MoKα","","0.0349","0.031","","","0.079","0.0823","","","","","","1.049","","","","has coordinates,has disorder","300645","2025-07-06","14:36:04",""
"1574260","9.7492","0.0008","6.1659","0.0005","18.7972","0.0016","90","","91.957","0.003","90","","1129.29","0.16","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 F3 N3 O -","- C11 H8 F3 N3 O -","- C44 H32 F12 N12 O4 -","4","1","","Ji, Tingting; Yang, Xuesong; Chen, Quanliang; Zhang, Hongyu","Decimeter-length elastic organic crystals capable of mechanical post-processing and optical waveguide modulation at 77 K","Chemical Science","2025","16","18","8099","8107","10.1039/D4SC07313D","","","0.71073","MoKα","","0.0828","0.0534","","","0.1292","0.1598","","","","","","1.06","","","","has coordinates","300645","2025-07-06","14:36:04",""
"1574261","13.3309","0.0004","17.1204","0.0005","20.0227","0.0006","78.851","0.002","72.034","0.002","84.771","0.002","4262.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H132 B Cl Ge2 O2 -","- C97 H132 B Cl Ge2 O2 -","- C194 H264 B2 Cl2 Ge4 O4 -","2","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0637","0.0412","","","0.0957","0.1049","","","","","","1.019","","","","has coordinates","300653","2025-07-06","14:40:56",""
"1574262","14.1976","0.0003","14.5282","0.0003","22.8599","0.0004","87.845","0.001","74.458","0.001","75.249","0.001","4390.7","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H127 B Cl Ge2 O3 -","- C100 H126 B Cl Ge2 O3 -","- C200 H252 B2 Cl2 Ge4 O6 -","2","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0895","0.0555","","","0.1163","0.1299","","","","","","1.015","","","","has coordinates","300653","2025-07-06","14:40:57",""
"1574263","19.5707","0.0006","18.9384","0.0006","26.3009","0.0008","90","","107.021","0.002","90","","9321.1","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C106 H140 B Cl Ge2 O2 -","- C106 H140 B Cl Ge2 O2 -","- C424 H560 B4 Cl4 Ge8 O8 -","4","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0544","0.0351","","","0.0875","0.0992","","","","","","1.027","","","","has coordinates","300653","2025-07-06","14:41:05",""
"1574264","13.5962","0.0004","16.671","0.0005","20.1773","0.0006","81.8234","0.0016","87.251","0.0015","84.0915","0.0014","4500.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H116 B Cl Ge2 O -","- C95 H116 B Cl Ge2 O -","- C190 H232 B2 Cl2 Ge4 O2 -","2","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0536","0.0377","","","0.1042","0.1114","","","","","","1.038","","","","has coordinates","300653","2025-07-06","14:41:06",""
"1574265","13.7734","0.0004","16.6004","0.0005","20.096","0.0007","83.116","0.002","85.997","0.002","84.814","0.002","4534.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H118 B Cl Ge2 O -","- C95 H118 B Cl Ge2 O -","- C190 H236 B2 Cl2 Ge4 O2 -","2","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.1038","0.0638","","","0.1498","0.1678","","","","","","1.04","","","","has coordinates,has disorder","300653","2025-07-06","14:41:15",""
"1574266","25.9105","0.0014","14.4062","0.0008","28.4018","0.0016","90","","109.755","0.003","90","","9977.7","1","120","2","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C114.5 H150 B Cl Ge2 O2 -","- C114.5 H150 B Cl Ge2 O2 -","- C458 H600 B4 Cl4 Ge8 O8 -","4","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0738","0.0578","","","0.1256","0.1315","","","","","","1.151","","","","has coordinates,has disorder","300653","2025-07-06","14:41:17",""
"1574267","14.4877","0.0004","18.0318","0.0004","18.9385","0.0005","77.231","0.001","89.503","0.001","73.895","0.001","4628.4","0.2","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C103 H136 B Cl Ge2 O3 -","- C103 H136 B Cl Ge2 O3 -","- C206 H272 B2 Cl2 Ge4 O6 -","2","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0463","0.0378","","","0.0977","0.1041","","","","","","1.032","","","","has coordinates,has disorder","300653","2025-07-06","14:41:25",""
"1574268","15.9892","0.0003","19.2578","0.0003","20.5718","0.0004","102.631","0.001","112.298","0.001","106.577","0.001","5221.48","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H118 B Cl Ge2 O -","- C99 H118 B Cl Ge2 O -","- C198 H236 B2 Cl2 Ge4 O2 -","2","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0632","0.0487","","","0.129","0.1407","","","","","","1.047","","","","has coordinates,has disorder","300653","2025-07-06","14:41:34",""
"1574269","6.56","0.0011","14.795","0.003","17.736","0.003","100.253","0.006","98.746","0.006","100.247","0.006","1636.6","0.5","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 F O2 -","- C11 H15 F O2 -","- C66 H90 F6 O12 -","6","3","","Trevisan, Lucia; Bond, Andrew D.; Hunter, Christopher A.","Relationship between interaction geometry and cooperativity measured in H-bonded networks of hydroxyl groups","Chemical Science","2025","16","17","7418","7423","10.1039/D5SC00784D","","","1.54178","CuKα","","0.2263","0.0986","","","0.1705","0.2314","","","","","","0.959","","","","has coordinates","300590","2025-07-06","14:10:54",""
"1574270","13.7547","0.0006","19.2286","0.0009","8.4326","0.0004","90","","90","","90","","2230.28","0.18","180","2","180","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C88 H120 N8 O32 -","8","1","","Trevisan, Lucia; Bond, Andrew D.; Hunter, Christopher A.","Relationship between interaction geometry and cooperativity measured in H-bonded networks of hydroxyl groups","Chemical Science","2025","16","17","7418","7423","10.1039/D5SC00784D","","","1.54178","CuKα","","0.056","0.0421","","","0.0999","0.1087","","","","","","1.052","","","","has coordinates","300590","2025-07-06","14:10:54",""
"1574271","9.582","0.0005","43.689","0.002","15.6237","0.0008","90","","90.164","0.003","90","","6540.5","0.6","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H31 B2 N3 O2 -","- C34 H31 B2 N3 O2 -","- C272 H248 B16 N24 O16 -","8","4","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","","1.54178","CuKα","","0.0817","0.0743","","","0.2013","0.2108","","","","","","1.024","","","","has coordinates,has disorder","300651","2025-07-06","14:39:32",""
"1574272","15.472","0.002","16.178","0.002","15.892","0.002","90","","109.432","0.007","90","","3751.3","0.8","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H17 B2 F18 N3 O2 -","- C36 H17 B2 F18 N3 O2 -","- C144 H68 B8 F72 N12 O8 -","4","1","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","","1.54178","CuKα","","0.1306","0.0736","","","0.2036","0.2288","","","","","","1.019","","","","has coordinates,has disorder","300651","2025-07-06","14:39:33",""
"1574273","10.3708","0.0006","11.0431","0.0006","11.9274","0.0006","86.785","0.004","74.699","0.004","74.116","0.004","1267.07","0.12","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 B2 Cl N3 O2 -","- C30 H22 B2 Cl N3 O2 -","- C60 H44 B4 Cl2 N6 O4 -","2","1","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","x-ray","1.54178","CuKα","","0.0727","0.0493","","","0.1398","0.153","","","","","","0.935","","","","has coordinates","300651","2025-07-06","14:39:33",""
"1574274","9.6663","0.0007","10.0753","0.0008","14.4164","0.0013","92.413","0.003","101.539","0.003","93.307","0.003","1371.29","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 B2 N3 O2 -","- C32 H27 B2 N3 O2 -","- C64 H54 B4 N6 O4 -","2","1","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","","0.71073","MoKα","","0.1097","0.0839","","","0.1838","0.1961","","","","","","1.128","","","","has coordinates","300651","2025-07-06","14:39:33",""
"1574275","15.483","0.005","16.607","0.005","18.455","0.005","63.503","0.019","76.5","0.02","65.205","0.019","3849","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 B4 N6 O4 -","- C54 H40 B4 N6 O4 -","- C162 H120 B12 N18 O12 -","3","1.5","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","x-ray","1.54178","CuKα","","0.1831","0.083","","","0.2454","0.3057","","","","","","0.966","","","","has coordinates,has disorder","300651","2025-07-06","14:39:33",""
"1574276","9.9773","0.0004","10.9806","0.0005","13.4862","0.0005","74.857","0.002","79.474","0.002","63.421","0.002","1271.77","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 B2 N3 O2 -","- C30 H23 B2 N3 O2 -","- C60 H46 B4 N6 O4 -","2","1","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","x-ray","0.71073","MoKα","","0.0673","0.0518","","","0.1232","0.1338","","","","","","1.093","","","","has coordinates","300651","2025-07-06","14:39:33",""
"1574277","29.2198","0.0009","9.7169","0.0003","23.8263","0.0007","90","","104.397","0.003","90","","6552.5","0.4","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H27 B2 N3 O2 S -","- C38 H27 B2 N3 O2 S1.002 -","- C304 H216 B16 N24 O16 S8.016 -","8","1","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","x-ray","1.54178","CuKα","","0.0523","0.0419","","","0.1182","0.1257","","","","","","1.046","","","","has coordinates,has disorder","300651","2025-07-06","14:39:33",""
"1574278","22.6427","0.0003","15.6971","0.0002","20.1469","0.0003","90","","106.08","0.002","90","","6880.55","0.18","149.99","0.1","149.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[(2-methoxyphenyl)diphenylphosphane-κ<i>P</i>](nitrito-κ^2^<i>O</i>,<i>O</i>')silver(I)","","- C38 H34 Ag N O4 P2 -","- C38 H34 Ag N O4 P2 -","- C304 H272 Ag8 N8 O32 P16 -","8","1","TK4116","Malan, Frederick P.; Potgieter, Kariska; Meijboom, Reinout","Bis[(2-methoxyphenyl)diphenylphosphane-κP](nitrito-κ2 O,O′)silver(I)","IUCrData","2025","10","3","x250193","","10.1107/S2414314625001932","","x-ray","0.71073","MoKα","","0.0391","0.0311","","","0.0736","0.076","","","","","","1.07","","","","has coordinates","300370","2025-07-05","10:15:19",""
"1574279","19.1096","0.0003","13.69762","0.00018","18.5399","0.0002","90","","96.4031","0.0012","90","","4822.66","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[3-(1<i>H</i>-Benzimidazol-2-yl)propyl]-1<i>H</i>-benzimidazol-3-ium 3,4,5-trihydroxybenzoate trihydrate","","- C24 H28 N4 O8 -","- C24 H28 N4 O8 -","- C192 H224 N32 O64 -","8","2","BT4166","Palacios Rodríguez, José Carlos; Mendoza, Angel; Sosa Rivadeneyra, Martha; Bernès, Sylvain","2-[3-(1H-Benzimidazol-2-yl)propyl]-1H-benzimidazol-3-ium 3,4,5-trihydroxybenzoate trihydrate","IUCrData","2025","10","3","x250256","","10.1107/S2414314625002561","","x-ray","0.71073","MoKα","","0.0719","0.0492","","","0.1292","0.1452","","","","","","1.038","","","","has coordinates","300370","2025-07-05","10:15:20",""
"1574280","16.666","0.003","21.729","0.004","34.167","0.007","90","","90","","90","","12373","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C97 H86 Cl2 N38 O46 -","- C97 H86 Cl2 N38 O46 -","- C388 H344 Cl8 N152 O184 -","4","1","","Liu, Jia; Han, Xiujie; Wen, Xin; Yu, Hao; Li, Bao; Wang, Ming; Liu, Minghua; Wu, Guanglu","Chiral ring-in-ring complexes with torsion-induced circularly polarized luminescence","Chemical Science","2025","16","18","7858","7863","10.1039/D5SC00624D","","","0.71073","MoKα","","0.0859","0.082","","","0.2512","0.2593","","","","","","1.13","","","","has coordinates,has disorder","300644","2025-07-06","14:35:40",""
"1574281","18.8392","0.0003","18.8392","0.0003","46.1573","0.0013","90","","90","","120","","14187.2","0.5","100","0.5","100","0.5","","","","","","","","7","R -3 :H","-R 3","148","[IrAu12(bbpe)6](PF6)3 DCM-MeOH/Ether Octahedron","","","- C168 H144 Au12 Cl24 F12 Ir P14 -","- C168 H144 Au12 Cl24 F12 Ir P14 -","- C504 H432 Au36 Cl72 F36 Ir3 P42 -","3","0.166667","","Mutoh, Katsuya; Yahagi, Teppei; Takano, Shinjiro; Kawakita, Sonomi; Iwasa, Takeshi; Taketsugu, Tetsuya; Tsukuda, Tatsuya; Nakashima, Takuya","A nearly perfect icosahedral Ir@Au12 superatom with superior photoluminescence obtained by ligand engineering","Chemical Science","2025","16","19","8240","8246","10.1039/D5SC00561B","","x-ray","0.71073","MoKα","","0.0387","0.0355","","","0.1024","0.1047","","","","","","1.116","","","","has coordinates,has disorder","300600","2025-07-06","14:14:13",""
"1574282","18.3688","0.0007","10.6562","0.0007","21.9752","0.0008","90","","90","","90","","4301.5","0.4","297","","297","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C12 H8 Fe I2 O5 Pb3 -","- C12 H8 Fe I2 O5 Pb3 -","- C96 H64 Fe8 I16 O40 Pb24 -","8","0.5","","Yin, Jinlin; He, Yani; Sun, Chen; Jiang, Yilin; Fei, Honghan","Coordination-driven assembly of a ferrocene-functionalized lead iodide framework with enhanced stability and charge transfer for photocatalytic CO2-to-CH3OH conversion","Chemical Science","2025","16","19","8327","8337","10.1039/D4SC08216H","","","0.71073","MoKα","","0.1418","0.1395","","","0.3051","0.3058","","","","","","1.116","","","","has coordinates,has disorder","300596","2025-07-06","14:12:55",""
"1574283","7.1097","0.0002","31.4596","0.001","14.5274","0.0004","90","","97.891","0.001","90","","3218.55","0.16","143","2","143","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H68 Br2 N6 O4 Si2 -","- C70 H68 Br2 N6 O4 Si2 -","- C140 H136 Br4 N12 O8 Si4 -","2","1","","Cao, Qiuhui; Yang, Yuntian; Mei, Yiwen; Ji, Minghui; Wang, Fei; Feng, Xiaoming; Cao, Weidi","Catalytic asymmetric construction of 1,5-remote Si- and C-stereocenters via desymmetrizing ene reaction of bis(methallyl)silanes","Chemical Science","2025","16","19","8454","8459","10.1039/D5SC01054C","","","1.54178","CuKα","","0.0436","0.0428","","","0.1164","0.117","","","","","","1.058","","","","has coordinates,has disorder","300594","2025-07-06","14:12:22",""
"1574284","14.5272","0.0005","18.2708","0.0006","16.2","0.0005","90","","111.107","0.001","90","","4011.4","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C72 H106 F12 N6 Ni O15 S4 -","- C72 H106 F12 N6 Ni O15 S4 -","- C144 H212 F24 N12 Ni2 O30 S8 -","2","1","","Cao, Qiuhui; Yang, Yuntian; Mei, Yiwen; Ji, Minghui; Wang, Fei; Feng, Xiaoming; Cao, Weidi","Catalytic asymmetric construction of 1,5-remote Si- and C-stereocenters via desymmetrizing ene reaction of bis(methallyl)silanes","Chemical Science","2025","16","19","8454","8459","10.1039/D5SC01054C","","","1.54178","CuKα","","0.0642","0.0611","","","0.1686","0.1737","","","","","","1.029","","","","has coordinates,has disorder","300594","2025-07-06","14:12:24",""
"1574286","10.9726","0.0002","22.2877","0.0004","11.9968","0.0002","90","","103.335","0.002","90","","2854.76","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-BDPA","","- C33 H36 B2 Cl2 N2 -","- C33 H36 B2 Cl2 N2 -","- C132 H144 B8 Cl8 N8 -","4","1","","Zuo, Jingyao; Lalancette, Roger A.; Prokopchuk, Demyan E.; Jäkle, Frieder","Regioselective access to B–N Lewis pair-functionalized anthracenes: mechanistic studies and optoelectronic properties","Chemical Science","2025","16","18","8114","8124","10.1039/D5SC00597C","","x-ray","1.54184","CuKα","","0.0665","0.0495","","","0.1179","0.131","","","","","","1.061","","","","has coordinates","300643","2025-07-06","14:35:23",""
"1574287","25.6047","0.0003","7.5629","0.0001","15.1153","0.0002","90","","103.019","0.001","90","","2851.78","0.06","102","2","102","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H36 B2 Cl2 N2 -","- C33 H36 B2 Cl2 N2 -","- C132 H144 B8 Cl8 N8 -","4","0.5","","Zuo, Jingyao; Lalancette, Roger A.; Prokopchuk, Demyan E.; Jäkle, Frieder","Regioselective access to B–N Lewis pair-functionalized anthracenes: mechanistic studies and optoelectronic properties","Chemical Science","2025","16","18","8114","8124","10.1039/D5SC00597C","","x-ray","1.54184","CuKα","","0.0399","0.0372","","","0.0963","0.0986","","","","","","1.08","","","","has coordinates","300643","2025-07-06","14:35:26",""
"1574288","8.3251","0.0001","8.8817","0.0001","14.9449","0.0002","73.42","0.001","86.607","0.001","82.977","0.001","1050.81","0.02","99.8","0.3","99.8","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 F6 I N2 O4 -","- C20 H15 F6 I N2 O4 -","- C40 H30 F12 I2 N4 O8 -","2","1","","Otsuki, Shinya; Kanemoto, Kazuya; Martos, Daniel Carter; Kwon, Eunsang; Wencel-Delord, Joanna; Yoshikai, Naohiko","Diazomethyl-λ3-iodane meets aryne: dipolar cycloaddition and C-to-N iodane shift leading to indazolyl-λ3-iodanes","Chemical Science","2025","16","18","8053","8059","10.1039/D5SC00266D","","x-ray","0.71073","MoKα","","0.0204","0.0183","","","0.041","0.0417","","","","","","1.05","","","","has coordinates","300648","2025-07-06","14:37:21",""
"1574289","20.2478","0.001","12.0654","0.0006","24.41","0.0012","90","","106.52","0.002","90","","5717.1","0.5","130","2","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H74 B2 N4 -","- C72 H74 B2 N4 -","- C288 H296 B8 N16 -","4","1","","Petrykowski, Wojciech D.; Vanthuyne, Nicolas; Naim, Carmelo; Bertocchi, Francesco; Poronik, Yevgen M.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Terenziani, Francesca; Jacquemin, Denis; Gryko, Daniel T.","Double helicene possessing B–N dative bonds built on 1,4-dihydropyrrolo[3,2-b]pyrrole core","Chemical Science","2025","16","19","8338","8345","10.1039/D5SC00540J","","","0.71073","MoKα","","0.0751","0.052","","","0.1291","0.143","","","","","","1.045","","","","has coordinates,has disorder","300598","2025-07-06","14:13:28",""
"1574290","14.8961","0.0005","23.8496","0.0008","17.9551","0.0006","90","","105.52","0.002","90","","6146.2","0.4","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H74 B2 N4 S2 -","- C76 H74 B2 N4 S2 -","- C304 H296 B8 N16 S8 -","4","1","","Petrykowski, Wojciech D.; Vanthuyne, Nicolas; Naim, Carmelo; Bertocchi, Francesco; Poronik, Yevgen M.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Terenziani, Francesca; Jacquemin, Denis; Gryko, Daniel T.","Double helicene possessing B–N dative bonds built on 1,4-dihydropyrrolo[3,2-b]pyrrole core","Chemical Science","2025","16","19","8338","8345","10.1039/D5SC00540J","","","0.71073","MoKα","","0.0546","0.042","","","0.1026","0.1122","","","","","","1.064","","","","has coordinates,has disorder","300598","2025-07-06","14:13:37",""
"1574291","9.9735","0.0015","6.9462","0.0016","31.359","0.007","90","","97.373","0.007","90","","2154.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 O2 S -","- C30 H22 O2 S -","- C120 H88 O8 S4 -","4","1","","Knyazev, Daniil A.; George, Malini; Werz, Daniel B.","(3 + 2)-Cycloaddition of bicyclobutanes and thioketones: access to 2-thiabicyclo[2.1.1]hexanes without the use of catalysts or light","Chemical Science","2025","16","19","8588","8593","10.1039/D5SC00125K","","x-ray","0.71073","MoKα","","0.0455","0.037","","","0.0908","0.0972","","","","","","1.038","","","","has coordinates","300599","2025-07-06","14:13:50",""
"1574292","11.698","0.003","12.037","0.004","17.473","0.005","90","","102.844","0.019","90","","2398.8","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 O S -","- C32 H28 O S -","- C128 H112 O4 S4 -","4","1","","Knyazev, Daniil A.; George, Malini; Werz, Daniel B.","(3 + 2)-Cycloaddition of bicyclobutanes and thioketones: access to 2-thiabicyclo[2.1.1]hexanes without the use of catalysts or light","Chemical Science","2025","16","19","8588","8593","10.1039/D5SC00125K","","x-ray","0.71073","MoKα","","0.0518","0.0429","","","0.1124","0.1197","","","","","","1.036","","","","has coordinates","300599","2025-07-06","14:13:59",""
"1574293","9.639","0.003","9.825","0.003","11.34","0.003","89.784","0.007","66.003","0.016","85.593","0.008","977.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 O2 S -","- C25 H22 O2 S -","- C50 H44 O4 S2 -","2","1","","Knyazev, Daniil A.; George, Malini; Werz, Daniel B.","(3 + 2)-Cycloaddition of bicyclobutanes and thioketones: access to 2-thiabicyclo[2.1.1]hexanes without the use of catalysts or light","Chemical Science","2025","16","19","8588","8593","10.1039/D5SC00125K","","x-ray","0.71073","MoKα","","0.0521","0.0415","","","0.1061","0.1127","","","","","","1.051","","","","has coordinates","300599","2025-07-06","14:14:00",""
"1574294","7.683","0.005","15.401","0.008","37.98","0.02","90","","90","","90","","4494","4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 O S -","- C30 H26 O S -","- C240 H208 O8 S8 -","8","2","","Knyazev, Daniil A.; George, Malini; Werz, Daniel B.","(3 + 2)-Cycloaddition of bicyclobutanes and thioketones: access to 2-thiabicyclo[2.1.1]hexanes without the use of catalysts or light","Chemical Science","2025","16","19","8588","8593","10.1039/D5SC00125K","","x-ray","0.71073","MoKα","","0.0891","0.07","","","0.1693","0.1791","","","","","","1.057","","","","has coordinates,has disorder","300599","2025-07-06","14:14:01",""
"1574295","17.182","0.003","19.052","0.004","19.726","0.004","104.389","0.009","108.549","0.009","92.542","0.009","5876","2","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C126 H155 F4 N9 O2 S4 -","- C126 H155 F4 N9 O2 S4 -","- C252 H310 F8 N18 O4 S8 -","2","1","","Liu, Jian; Wang, Ruohan; Li, Longyu; Zhao, Wenkai; Suo, Zhaochen; Shi, Wendi; Long, Guankui; Yao, Zhaoyang; Wan, Xiangjian; Chen, Yongsheng","Fine-tuning central extended unit symmetry via atom-level asymmetric molecular design enables efficient binary organic solar cells","Energy & Environmental Science","2025","18","9","4470","4479","10.1039/D4EE06155A","","x-ray","1.34139","GaKα","","0.1953","0.1323","","","0.3177","0.3508","","","","","","1.084","","","","has coordinates","300998","2025-07-06","17:18:41",""
"1574296","17.43","0.005","18.929","0.005","19.665","0.005","104.767","0.008","108.463","0.009","91.368","0.008","5912","3","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C127 H156 Br F4 N9 O2 S4 -","- C127 H156 Br F4 N9 O2 S4 -","- C254 H312 Br2 F8 N18 O4 S8 -","2","1","","Liu, Jian; Wang, Ruohan; Li, Longyu; Zhao, Wenkai; Suo, Zhaochen; Shi, Wendi; Long, Guankui; Yao, Zhaoyang; Wan, Xiangjian; Chen, Yongsheng","Fine-tuning central extended unit symmetry via atom-level asymmetric molecular design enables efficient binary organic solar cells","Energy & Environmental Science","2025","18","9","4470","4479","10.1039/D4EE06155A","","x-ray","1.34139","GaKα","","0.2932","0.1554","","","0.3485","0.4025","","","","","","1.175","","","","has coordinates,has disorder","300998","2025-07-06","17:18:41",""
"1574297","9.8794","0.0001","9.9685","0.0001","21.1954","0.0003","103.298","0.001","98.331","0.001","90.09","0.001","2008.66","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H63 N2 O2 P S Si -","- C41 H63 N2 O2 P S Si -","- C82 H126 N4 O4 P2 S2 Si2 -","2","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0403","0.0358","","","0.0916","0.0938","","","","","","1.055","","","","has coordinates","300602","2025-07-06","14:15:03",""
"1574298","9.8655","0.0001","10.6697","0.0001","17.5437","0.0001","90","","94.805","0.001","90","","1840.19","0.03","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H45 N2 O2 P S Si -","- C41 H45 N2 O2 P S Si -","- C82 H90 N4 O4 P2 S2 Si2 -","2","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.028","0.0276","","","0.0731","0.0734","","","","","","1.015","","","","has coordinates","300602","2025-07-06","14:15:14",""
"1574299","14.8143","0.0001","14.4078","0.0001","17.4032","0.0002","90","","114.35","0.001","90","","3384.13","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 N3 P S2 Si -","- C36 H38 N3 P S2 Si -","- C144 H152 N12 P4 S8 Si4 -","4","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0352","0.0326","","","0.0893","0.0913","","","","","","1.051","","","","has coordinates","300602","2025-07-06","14:15:15",""
"1574300","13.6372","0.0001","14.835","0.0001","20.8762","0.0002","90","","100.641","0.001","90","","4150.79","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H63 N2 O2 P S3 Si -","- C42 H63 N2 O2 P S3 Si -","- C168 H252 N8 O8 P4 S12 Si4 -","4","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0427","0.0387","","","0.1054","0.1085","","","","","","1.051","","","","has coordinates","300602","2025-07-06","14:15:17",""
"1574301","64.6062","0.0004","10.3354","0.0001","19.7968","0.0001","90","","94.664","0.001","90","","13175.2","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C73 H79 N6 P2 Si2 -","- C73 H79 N6 P2 Si2 -","- C584 H632 N48 P16 Si16 -","8","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.064","0.0618","","","0.183","0.1845","","","","","","1.184","","","","has coordinates","300602","2025-07-06","14:15:18",""
"1574302","11.7868","0.0001","18.1246","0.0001","14.9114","0.0001","90","","98.034","0.001","90","","3154.27","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 N3 O3 P Si -","- C36 H38 N3 O3 P Si -","- C144 H152 N12 O12 P4 Si4 -","4","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0378","0.0341","","","0.0895","0.0921","","","","","","1.055","","","","has coordinates","300602","2025-07-06","14:15:26",""
"1574303","10.2796","0.0002","12.9114","0.0002","18.3044","0.0002","74.267","0.001","77.107","0.001","69.783","0.002","2171.7","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H69 N2 O3 P S Si -","- C47 H69 N2 O3 P S Si -","- C94 H138 N4 O6 P2 S2 Si2 -","2","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0334","0.0322","","","0.0821","0.0839","","","","","","1.051","","","","has coordinates","300602","2025-07-06","14:15:27",""
"1574304","20.4704","0.0002","8.8183","0.0001","23.8065","0.0002","90","","105.305","0.001","90","","4145","0.07","109","2","109","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 N5 P Si -","- C48 H48 N5 P Si -","- C192 H192 N20 P4 Si4 -","4","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0388","0.0349","","","0.0879","0.0904","","","","","","1.022","","","","has coordinates","300602","2025-07-06","14:15:30",""
"1574305","19.8252","0.0001","16.0822","0.0001","26.2606","0.0002","90","","96.777","0.001","90","","8314.24","0.09","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C94 H100 N6 O2 P2 Si2 -","- C94 H100 N6 O2 P2 Si2 -","- C376 H400 N24 O8 P8 Si8 -","4","0.5","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0423","0.0405","","","0.1098","0.1114","","","","","","1.038","","","","has coordinates,has disorder","300602","2025-07-06","14:15:31",""
"1574306","9.9591","0.0001","12.806","0.0001","22.0685","0.0003","76.279","0.001","89.357","0.001","87.916","0.001","2732.39","0.05","105","2","105","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H81 N4 O2 P S Si -","- C61 H81 N4 O2 P S Si -","- C122 H162 N8 O4 P2 S2 Si2 -","2","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0412","0.0345","","","0.0874","0.0913","","","","","","1.027","","","","has coordinates,has disorder","300602","2025-07-06","14:15:39",""
"1574307","11.4285","0.0001","27.5512","0.0001","14.3976","0.0001","90","","100.775","0.001","90","","4453.43","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H72 N3 O2 P S Si -","- C46 H72 N3 O2 P S Si -","- C184 H288 N12 O8 P4 S4 Si4 -","4","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0353","0.033","","","0.0866","0.0881","","","","","","1.038","","","","has coordinates","300602","2025-07-06","14:15:41",""
"1574308","5.7109","0.0002","14.3218","0.0005","17.0215","0.0006","90","","90","","90","","1392.19","0.08","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 O2 -","- C14 H24 N2 O2 -","- C56 H96 N8 O8 -","4","1","","Hanna, Fergal E.; Bond, Andrew D.; Hunter, Christopher A.","Quantification of the effects of n-π* interactions on the H-bonding properties of amide groups","Chemical Science","2025","16","18","7894","7901","10.1039/D4SC08331H","","","1.54178","CuKα","","0.0359","0.0342","","","0.0827","0.0843","","","","","","1.08","","","","has coordinates","300641","2025-07-06","14:34:48",""
"1574309","6.0753","0.0002","19.1206","0.0008","8.3541","0.0003","90","","109.392","0.002","90","","915.39","0.06","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 N O -","- C9 H17 N O -","- C36 H68 N4 O4 -","4","1","","Hanna, Fergal E.; Bond, Andrew D.; Hunter, Christopher A.","Quantification of the effects of n-π* interactions on the H-bonding properties of amide groups","Chemical Science","2025","16","18","7894","7901","10.1039/D4SC08331H","","","1.54178","CuKα","","0.0505","0.0419","","","0.1088","0.1152","","","","","","1.067","","","","has coordinates","300641","2025-07-06","14:34:50",""
"1574310","5.9843","0.0002","9.7264","0.0004","12.6732","0.0005","73.16","0.002","78.918","0.002","86.645","0.002","692.85","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H24 N2 O2 -","- C14 H24 N2 O2 -","- C28 H48 N4 O4 -","2","1","","Hanna, Fergal E.; Bond, Andrew D.; Hunter, Christopher A.","Quantification of the effects of n-π* interactions on the H-bonding properties of amide groups","Chemical Science","2025","16","18","7894","7901","10.1039/D4SC08331H","","","1.54178","CuKα","","0.0492","0.0445","","","0.1212","0.126","","","","","","1.075","","","","has coordinates,has disorder","300641","2025-07-06","14:34:51",""
"1574311","11.789","0.011","5.5068","0.0003","10.461","0.005","90","","116.23","0.09","90","","609.2","0.8","298","2","298","2","20570000","","20570000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.1457","0.1256","","","0.3305","0.364","","","","","","1.53","","","","has coordinates","300674","2025-07-06","14:48:25",""
"1574312","11.75","0.009","5.503","0.0002","10.447","0.004","90","","116.33","0.07","90","","605.4","0.6","298","2","298","2","21240000","","21240000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0824","0.0757","","","0.2277","0.236","","","","","","1.122","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574313","11.47","0.02","5.4795","0.0005","10.352","0.008","90","","116.77","0.17","90","","580.9","1.4","298","2","298","2","25890000","","25890000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0837","0.0754","","","0.2348","0.2448","","","","","","1.17","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574314","11.626","0.01","5.4869","0.0002","10.397","0.004","90","","116.56","0.08","90","","593.2","0.7","298","2","298","2","23570000","","23570000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0767","0.0693","","","0.2057","0.214","","","","","","1.092","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574315","11.719","0.009","5.5018","0.0002","10.44","0.004","90","","116.41","0.07","90","","602.9","0.6","298","2","298","2","21810000","","21810000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0852","0.0769","","","0.2354","0.247","","","","","","1.162","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574316","11.44","0.03","5.4806","0.0006","10.344","0.011","90","","116.8","0.2","90","","578.9","1.9","298","2","298","2","26190000","","26190000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.1014","0.0871","","","0.2703","0.285","","","","","","1.165","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574317","11.66","0.01","5.489","0.0002","10.407","0.004","90","","116.47","0.08","90","","596.2","0.7","298","2","298","2","23070000","","23070000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0764","0.0687","","","0.2058","0.2143","","","","","","1.117","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574318","11.513","0.011","5.4804","0.0003","10.357","0.004","90","","116.78","0.09","90","","583.4","0.8","298","2","298","2","25500000","","25500000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0996","0.0923","","","0.2859","0.3003","","","","","","1.335","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574319","11.55","0.011","5.483","0.0003","10.377","0.004","90","","116.73","0.08","90","","586.9","0.7","298","2","298","2","24720000","","24720000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0935","0.0866","","","0.2686","0.2812","","","","","","1.251","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574320","11.671","0.01","5.4939","0.0002","10.418","0.004","90","","116.47","0.08","90","","598","0.7","298","2","298","2","22660000","","22660000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0732","0.0658","","","0.2016","0.2116","","","","","","1.117","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574321","11.592","0.009","5.4837","0.0002","10.385","0.004","90","","116.64","0.07","90","","590.1","0.6","298","2","298","2","24110000","","24110000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0762","0.0675","","","0.2059","0.2147","","","","","","1.113","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574322","11.694","0.01","5.4975","0.0002","10.427","0.004","90","","116.44","0.08","90","","600.2","0.7","298","2","298","2","22310000","","22310000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0791","0.0693","","","0.2042","0.2151","","","","","","1.113","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574323","15.223","0.014","5.7851","0.0005","12.174","0.004","90","","112.45","0.07","90","","990.9","1.1","298","2","298","2","100","","100","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0935","0.0609","","","0.1434","0.1625","","","","","","1.045","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574324","12.452","0.008","5.4749","0.0006","10.723","0.004","90","","114.9","0.07","90","","663.1","0.6","298","2","298","2","13040000","","13040000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0987","0.0684","","","0.1727","0.1857","","","","","","0.954","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574325","14.984","0.0004","5.6983","0.0001","12.0341","0.0003","90","","112.452","0.003","90","","949.63","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","1.54184","CuKα","","0.0363","0.0335","","","0.0838","0.0856","","","","","","1.06","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574326","12.38","0.02","5.4468","0.0007","10.725","0.006","90","","114.53","0.13","90","","657.9","1.3","298","2","298","2","13570000","","13570000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.1049","0.0819","","","0.2257","0.2412","","","","","","1.096","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574327","13.08","0.02","5.1502","0.0008","10.814","0.007","90","","113.12","0.14","90","","670","1.3","298","2","298","2","12680000","","12680000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.1132","0.0902","","","0.2457","0.2604","","","","","","1.344","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574328","14.89","0.01","5.6496","0.0003","11.905","0.003","90","","112.44","0.05","90","","925.6","0.7","298","2","298","2","541000","","541000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0746","0.0579","","","0.1579","0.17","","","","","","1.058","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574329","12.096","0.015","5.5053","0.0004","10.57","0.005","90","","115.42","0.11","90","","635.7","1","298","2","298","2","16270000","","16270000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0778","0.0687","","","0.2026","0.2122","","","","","","1.123","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574330","12.064","0.014","5.5054","0.0004","10.545","0.005","90","","115.46","0.1","90","","632.4","1","298","2","298","2","16750000","","16750000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0723","0.0642","","","0.1906","0.1988","","","","","","1.14","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574331","12.013","0.014","5.5124","0.0004","10.539","0.005","90","","115.68","0.1","90","","629","1","298","2","298","2","17250000","","17250000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0679","0.0603","","","0.1745","0.1817","","","","","","1.105","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574332","12.24","0.02","5.4747","0.0006","10.639","0.007","90","","114.84","0.14","90","","647","1.4","298","2","298","2","14668000","","14668000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.1057","0.0907","","","0.2564","0.2777","","","","","","1.116","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574333","13.162","0.011","5.1734","0.0003","10.885","0.003","90","","113.15","0.07","90","","681.5","0.7","298","2","298","2","11540000","","11540000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0888","0.0731","","","0.2059","0.2192","","","","","","1.103","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574334","14.71","0.01","5.5772","0.0003","11.759","0.003","90","","112.39","0.05","90","","892","0.7","298","2","298","2","1015000","","1015000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0718","0.0554","","","0.158","0.1688","","","","","","1.077","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574335","12.162","0.016","5.4949","0.0004","10.602","0.006","90","","115.15","0.11","90","","641.4","1.1","298","2","298","2","15550000","","15550000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0925","0.0817","","","0.2356","0.2476","","","","","","1.138","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574336","15.088","0.013","5.7289","0.0004","12.059","0.004","90","","112.42","0.07","90","","963.6","1","298","2","298","2","193000","","193000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0862","0.062","","","0.1587","0.1783","","","","","","1.051","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574337","13.22","0.008","5.175","0.0002","10.904","0.003","90","","113.08","0.05","90","","686.3","0.5","298","2","298","2","11020000","","11020000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0816","0.0706","","","0.1966","0.2064","","","","","","1.07","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574338","13.261","0.008","5.1782","0.0002","10.915","0.002","90","","113.01","0.05","90","","689.9","0.5","298","2","298","2","10580000","","10580000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0763","0.0684","","","0.1874","0.1941","","","","","","1.068","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574339","13.08","0.03","5.1368","0.0012","10.777","0.009","90","","112.98","0.19","90","","666.6","1.9","298","2","298","2","13040000","","13040000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.1379","0.1062","","","0.2887","0.3108","","","","","","1.18","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574340","14.998","0.011","5.694","0.0003","11.992","0.003","90","","112.43","0.06","90","","946.6","0.8","298","2","298","2","306000","","306000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0795","0.0591","","","0.1652","0.1784","","","","","","1.078","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574341","13.111","0.017","5.1676","0.0004","10.86","0.005","90","","113.15","0.1","90","","676.5","1.1","298","2","298","2","11950000","","11950000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0966","0.0765","","","0.2242","0.2379","","","","","","1.142","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574342","14.455","0.009","5.4916","0.0002","11.591","0.003","90","","112.41","0.05","90","","850.6","0.7","298","2","298","2","1909000","","1909000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0644","0.0559","","","0.1582","0.166","","","","","","1.059","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574343","13.319","0.009","5.18","0.0002","10.928","0.003","90","","112.91","0.05","90","","694.5","0.6","298","2","298","2","10070000","","10070000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0721","0.0644","","","0.1757","0.1822","","","","","","1.066","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574344","12.32","0.02","5.4498","0.0007","10.697","0.008","90","","114.6","0.15","90","","653","1.4","298","2","298","2","14120000","","14120000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0994","0.081","","","0.2295","0.2453","","","","","","1.025","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574345","12.23","0.015","5.4789","0.0004","10.62","0.006","90","","114.88","0.11","90","","645.6","1","298","2","298","2","14930000","","14930000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0946","0.0847","","","0.2452","0.2566","","","","","","1.116","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574346","11.918","0.013","5.5121","0.0003","10.502","0.005","90","","115.9","0.09","90","","620.6","0.9","298","2","298","2","18510000","","18510000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0666","0.0606","","","0.1731","0.1788","","","","","","1.119","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574347","11.882","0.011","5.5101","0.0003","10.49","0.004","90","","116.01","0.09","90","","617.2","0.8","298","2","298","2","18970000","","18970000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0686","0.0628","","","0.1789","0.1848","","","","","","1.097","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574348","11.945","0.014","5.518","0.0004","10.526","0.005","90","","115.9","0.11","90","","624.1","1","298","2","298","2","17980000","","17980000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0711","0.0628","","","0.1857","0.1949","","","","","","1.132","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574349","11.814","0.01","5.5065","0.0002","10.466","0.004","90","","116.17","0.08","90","","611.1","0.7","298","2","298","2","20150000","","20150000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0728","0.0662","","","0.1912","0.1983","","","","","","1.103","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574350","11.979","0.013","5.5148","0.0004","10.53","0.005","90","","115.74","0.1","90","","626.6","0.9","298","2","298","2","17620000","","17620000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0719","0.0624","","","0.1788","0.1867","","","","","","1.102","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574351","14.547","0.013","5.5258","0.0003","11.659","0.004","90","","112.4","0.07","90","","866.5","0.9","298","2","298","2","1513000","","1513000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0687","0.0586","","","0.1621","0.1708","","","","","","1.071","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574352","11.834","0.01","5.51","0.0003","10.478","0.004","90","","116.14","0.07","90","","613.3","0.7","298","2","298","2","19630000","","19630000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0783","0.0722","","","0.2069","0.213","","","","","","1.115","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574353","24.29","0.004","19.873","0.004","7.4327","0.0013","90","","104.998","0.005","90","","3465.7","1.1","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H25 Er2 N3 O20 -","- C27 H25 Er2 N3 O20 -","- C108 H100 Er8 N12 O80 -","4","1","","Maciel, Jhonny W.; Kalinke, Lucas H. G.; Rabelo, Renato; Alvarenga, Meiry E.; Martins, Felipe Terra; Moliner, Nicolás; Cangussu, Danielle","Slow Relaxation of Magnetization and Magnetocaloric Effects in One-Dimensional Oxamato-Based Lanthanide(III) Coordination Polymers","Magnetochemistry","2025","11","4","23","","10.3390/magnetochemistry11040023","","","0.71073","MoKα","","0.1502","0.1087","","","0.2965","0.3153","","","","","","1.127","","","","has coordinates,has disorder","299163","2025-04-05","08:29:12",""
"1574354","9.5599","0.0003","11.2459","0.0004","13.3652","0.0004","67.299","0.002","87.272","0.002","70.734","0.002","1246.08","0.07","199.99","","199.99","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 Fe O4 -","- C29 H28 Fe O4 -","- C58 H56 Fe2 O8 -","2","1","","Forté, Jérémy; Pigeon, Pascal","Ethyl 4-Ene-4-ferrocenyl-5,5-bis-(4-hydroxyphenyl)-pentanoate","Molbank","2025","2025","1","M1980","","10.3390/M1980","","","1.54178","CuKα","","0.0338","0.0267","","","0.0569","0.0591","","","","","","1.0097","","","","has coordinates","299164","2025-04-05","09:01:11",""
"1574355","12.8637","0.0005","24.5322","0.0006","18.1868","0.0005","90","","109.991","0.003","90","","5393.5","0.3","298.15","","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H49 Cl N6 P2 Ru -","- C56 H49 Cl N6 P2 Ru -","- C224 H196 Cl4 N24 P8 Ru4 -","4","1","","Nath, Shambhu; Singh, Amrendra K.","Substrate-assisted product release in hydrogenation of LOHCs facilitated by hemilabile pyridine in Ru(ii)–NNC pincer complexes and enhanced activity of proton-responsive protic-NHC ligands","Catalysis Science & Technology","2025","15","10","2999","3008","10.1039/D5CY00209E","","","0.71073","MoKα","","0.0839","0.0564","","","0.1196","0.1364","","","","","","1.024","","","","has coordinates","300387","2025-07-06","12:37:37",""
"1574356","13.4509","0.0003","14.0264","0.0003","14.305","0.0002","102.178","0.002","107.581","0.002","95.342","0.002","2479.06","0.09","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H50 N6 O P2 Ru -","- C56 H50 N6 O P2 Ru -","- C112 H100 N12 O2 P4 Ru2 -","2","1","","Nath, Shambhu; Singh, Amrendra K.","Substrate-assisted product release in hydrogenation of LOHCs facilitated by hemilabile pyridine in Ru(ii)–NNC pincer complexes and enhanced activity of proton-responsive protic-NHC ligands","Catalysis Science & Technology","2025","15","10","2999","3008","10.1039/D5CY00209E","","","0.71073","MoKα","","0.0431","0.0345","","","0.0856","0.0916","","","","","","1.068","","","","has coordinates","300387","2025-07-06","12:37:38",""
"1574357","4.09358","0.0001","5.63601","0.00016","6.64675","0.00017","103.946","0.002","91.017","0.002","91.983","0.002","148.687","0.007","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C3 H I O S2 -","- C3 H I O S2 -","- C3 H I O S2 -","1","1","","Shukla, Rahul; Aubert, Emmanuel; Brezgunova, Mariya; Lebègue, Sébastien; Fourmigué, Marc; Espinosa, Enrique","The origin of synthons and supramolecular motifs: beyond atoms and functional groups.","IUCrJ","2025","12","3","","","10.1107/S2052252525001447","","","0.71073","MoKα","","0.0484","0.0353","","","0.068","0.0793","","","","","","1.137","","","","has coordinates","299208","2025-04-08","02:05:03",""
"1574358","15.0711","0.0003","15.7076","0.0002","17.5064","0.0004","109.325","0.002","108.365","0.002","101.944","0.001","3480.31","0.15","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C56 H102 As8 K N2 O9 Ta2 -","- C48 H86 As8 K N2 O7 Ta2 -","- C96 H172 As16 K2 N4 O14 Ta4 -","2","1","","Riesinger, Christoph; Scheer, Manfred","Redox mediated dimerisation of a cyclo-As8 complex","Chemical Science","2025","16","20","8807","8811","10.1039/D5SC01685A","","x-ray","1.54184","CuKα","","0.0569","0.0517","","","0.1494","0.1536","","","","","","1.127","","","","has coordinates","300629","2025-07-06","14:28:52",""
"1574359","24.4761","0.0003","36.8173","0.0005","28.1239","0.0003","90","","100.641","0.001","90","","24907.9","0.5","123","0.1","123","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C88.5 H90 Al As12.5 F49.5 O3 Sb0.5 Ta3 -","- C76.5 H64 Al As12.5 F49.5 O3 Sb0.5 Ta3 -","- C612 H512 Al8 As100 F396 O24 Sb4 Ta24 -","8","1","","Riesinger, Christoph; Scheer, Manfred","Redox mediated dimerisation of a cyclo-As8 complex","Chemical Science","2025","16","20","8807","8811","10.1039/D5SC01685A","","x-ray","1.54184","CuKα","","0.0603","0.0558","","","0.1491","0.154","","","","","","1.04","","","","has coordinates,has disorder","300629","2025-07-06","14:28:53",""
"1574360","11.4386","0.0002","18.7072","0.0004","19.1356","0.0005","63.108","0.002","88.564","0.002","76.688","0.002","3539.01","0.15","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C50.5 H52 Al As7.09 F38 O4 Ta2 -","- C42 H42 Al As7.0878 F36 O4 Ta2 -","- C84 H84 Al2 As14.1756 F72 O8 Ta4 -","2","1","","Riesinger, Christoph; Scheer, Manfred","Redox mediated dimerisation of a cyclo-As8 complex","Chemical Science","2025","16","20","8807","8811","10.1039/D5SC01685A","","x-ray","0.71073","MoKα","","0.1135","0.0651","","","0.1529","0.1735","","","","","","1.015","","","","has coordinates,has disorder","300629","2025-07-06","14:28:53",""
"1574361","14.7673","0.0005","16.6167","0.0007","20.5716","0.0008","71.702","0.003","89.043","0.003","88.782","0.003","4791.3","0.3","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C118 H104 N6 O14 -","- C118 H104 N6 O14 -","- C236 H208 N12 O28 -","2","1","","D'Addio, Adriano; Kroonen, Camiel C. E.; Fuhr, Olaf; Fenske, Dieter; Häussinger, Daniel; Mayor, Marcel","Series of Geländer oligomers with orthogonal rungs","Chemical Science","2025","16","18","8092","8098","10.1039/D4SC08179J","","x-ray","1.34143","GaKα","","0.1119","0.0811","","","0.2404","0.2587","","","","","","1.071","","","","has coordinates,has disorder","300642","2025-07-06","14:35:09",""
"1574362","7.7868","0.0001","10.9259","0.0002","21.3967","0.0004","90","","90","","90","","1820.38","0.05","220","","220","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C88 H96 O8 -","4","1","","Ke, Miaolin; Zheng, Jinying; Zong, Jiayi; Tang, Keshuang; Wang, Jiahao; Zheng, Guohui; Zhang, Boxuan; Cheng, Dang; Ju, Zhiran; Chen, Fener","Enantioselective [5 + 1] cycloaddition of sulfur ylides and vinylethylene carbonates via synergistic palladium/chiral phosphonic acid catalysis","Chemical Science","2025","16","18","8108","8113","10.1039/D5SC01050K","","x-ray","1.54178","CuKα","","0.096","0.0739","","","0.1845","0.2207","","","","","","1.086","","","","has coordinates","300646","2025-07-06","14:36:31",""
"1574363","8.7571","0.0001","19.7605","0.0002","11.2657","0.0001","90","","105.491","0.001","90","","1878.65","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","Ding, Yiming; Long, Xianwen; Zhang, Jingwei; Qu, Chunlei; Wang, Peng; Yang, Xiaodong; Puno, Pema-Tenzin; Deng, Jun","Asymmetric total synthesis of penicilfuranone A through an NHC-catalyzed umpolung strategy","Chemical Science","2025","16","19","8302","8308","10.1039/D5SC01508A","","x-ray","1.54184","CuKα","","0.0446","0.0442","","","0.1075","0.1078","","","","","","1.06","","","","has coordinates","300593","2025-07-06","14:12:05",""
"1574364","8.707","0.0001","19.1093","0.0002","11.7941","0.0001","90","","92.103","0.001","90","","1961.04","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","Ding, Yiming; Long, Xianwen; Zhang, Jingwei; Qu, Chunlei; Wang, Peng; Yang, Xiaodong; Puno, Pema-Tenzin; Deng, Jun","Asymmetric total synthesis of penicilfuranone A through an NHC-catalyzed umpolung strategy","Chemical Science","2025","16","19","8302","8308","10.1039/D5SC01508A","","x-ray","1.54184","CuKα","","0.0374","0.0359","","","0.0934","0.0947","","","","","","1.064","","","","has coordinates","300593","2025-07-06","14:12:05",""
"1574365","8.9343","0.0002","19.9249","0.0005","11.1682","0.0004","90","","106.262","0.003","90","","1908.57","0.1","104","7","104","7","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","Ding, Yiming; Long, Xianwen; Zhang, Jingwei; Qu, Chunlei; Wang, Peng; Yang, Xiaodong; Puno, Pema-Tenzin; Deng, Jun","Asymmetric total synthesis of penicilfuranone A through an NHC-catalyzed umpolung strategy","Chemical Science","2025","16","19","8302","8308","10.1039/D5SC01508A","","x-ray","0.71073","MoKα","","0.0728","0.0501","","","0.1454","0.1602","","","","","","1.014","","","","has coordinates","300593","2025-07-06","14:12:05",""
"1574366","12.6866","0.0006","15.4013","0.0007","22.1817","0.001","90","","90","","90","","4334.1","0.3","99.9","0.4","99.9","0.4","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H17 Au2 Fe N7 O -","- C17 H17 Au2 Fe N7 O -","- C136 H136 Au16 Fe8 N56 O8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","x-ray","0.71073","MoKα","","0.0534","0.0367","","","0.0696","0.0738","","","","","","1.093","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574367","12.1277","0.0002","16.8526","0.0002","22.9813","0.0003","90","","90","","90","","4696.99","0.11","300","2","300","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C18 H19 Au2 Fe N7 O -","- C18 H19 Au2 Fe N7 O -","- C144 H152 Au16 Fe8 N56 O8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","","1.54178","CuKα","","0.0369","0.0357","","","0.0928","0.0936","","","","","","1.178","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574368","12.7477","0.0006","15.3811","0.0009","22.2404","0.001","90","","90","","90","","4360.8","0.4","225","0.1","225","0.1","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H17 Au2 Fe N7 O -","- C17 H17 Au2 Fe N7 O -","- C136 H136 Au16 Fe8 N56 O8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","x-ray","1.54184","CuKα","","0.0734","0.0608","","","0.1644","0.174","","","","","","1.13","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574369","11.5562","0.0004","17.2475","0.0007","22.9494","0.0006","90","","90","","90","","4574.2","0.3","224.98","0.1","224.98","0.1","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H17 Au2 Fe N7 O -","- C17 H17 Au2 Fe N7 O -","- C136 H136 Au16 Fe8 N56 O8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","x-ray","1.54184","CuKα","","0.0364","0.0344","","","0.0965","0.0979","","","","","","1.127","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574370","11.96862","0.0002","16.947","0.0003","22.7781","0.0003","90","","90","","90","","4620.13","0.13","299.99","0.1","299.99","0.1","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H17 Au2 N7 O Zn -","- C17 H17 Au2 N7 O Zn -","- C136 H136 Au16 N56 O8 Zn8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","x-ray","1.54184","CuKα","","0.0497","0.0448","","","0.1174","0.1199","","","","","","1.184","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574371","11.8527","0.0007","17.0385","0.0011","22.9573","0.0016","90","","90","","90","","4636.3","0.5","298","","298","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H17 Au2 Fe N7 O -","- C17 H17 Au2 Fe N7 O -","- C136 H136 Au16 Fe8 N56 O8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","","0.71073","MoKα","","0.0464","0.0299","","","0.0529","0.0566","","","","","","1.198","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574372","12.465","0.007","15.754","0.007","22.263","0.019","90","","90","","90","","4372","5","120.01","","120.01","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C18 H19 Au2 Fe N7 O -","- C18 H19 Au2 Fe N7 O -","- C144 H152 Au16 Fe8 N56 O8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","","0.71073","MoKα","","0.0601","0.048","","","0.1054","0.114","","","","","","1.079","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574373","11.2926","0.0009","17.4255","0.0014","22.7813","0.0019","90","","90","","90","","4482.9","0.6","103","","103","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H17 Au2 N7 O Zn -","- C17 H17 Au2 N7 O Zn -","- C136 H136 Au16 N56 O8 Zn8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","","0.71073","MoKα","","0.0426","0.0304","","","0.0704","0.0756","","","","","","1.056","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574374","4.9904","0.0001","10.6896","0.0002","16.6446","0.0003","90","","94.504","0.002","90","","885.17","0.03","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 O4 S -","- C17 H20 N2 O4 S -","- C34 H40 N4 O8 S2 -","2","1","","Guo, Cui-Mei; Zhang, Fang-Yuan; Tian, Yin; Xie, Ming-Sheng; Guo, Hai-Ming","Pyridine-N-oxide catalyzed asymmetric N-acylative desymmetrization of sulfonimidamides","Chemical Science","2025","16","20","8812","8819","10.1039/D5SC01270H","","x-ray","1.54184","CuKα","","0.0568","0.0455","","","0.1191","0.122","","","","","","1.042","","","","has coordinates","300626","2025-07-06","14:27:41",""
"1574375","14.3478","0.0004","13.5179","0.0003","17.9803","0.0005","90","","111.215","0.003","90","","3250.98","0.16","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Nitrito-κ^2^<i>O</i>:<i>O</i>')bis[tris(4-fluorophenyl)phosphine-κ<i>P</i>]silver(I)","","- C36 H24 Ag F6 N O2 P2 -","- C36 H24 Ag F6 N O2 P2 -","- C144 H96 Ag4 F24 N4 O8 P8 -","4","1","WM4226","Malan, Frederick P.; Potgieter, Kariska; Meijboom, Reinout","(Nitrito-κ2 O:O′)bis[tris(4-fluorophenyl)phosphine-κP]silver(I)","IUCrData","2025","10","4","x250296","","10.1107/S2414314625002962","","x-ray","0.71073","MoKα","","0.034","0.0263","","","0.0605","0.0635","","","","","","1.045","","","","has coordinates","300370","2025-07-05","10:15:20",""
"1574376","13.1473","0.0013","6.2052","0.0005","18.1878","0.0017","90","","106.936","0.01","90","","1419.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F N3 -","- C17 H14 F N3 -","- C68 H56 F4 N12 -","4","1","","Gao, Chi; Liu, Yang; Li, Cheng-Sheng; Guo, He; Wang, Sheng-Han; Xu, Cong; Wang, Mang","O-Trifluoromethylation of ketones: an alternative straightforward route to alkenyl trifluoromethyl ethers","Chemical Science","2025","16","19","8561","8568","10.1039/D5SC01073J","","x-ray","0.71073","MoKα","","0.1131","0.0601","","","0.1354","0.1725","","","","","","1.025","","","","has coordinates","300595","2025-07-06","14:12:45",""
"1574377","11.7028","0.0006","5.5202","0.0002","33.5271","0.0014","90","","94.414","0.002","90","","2159.49","0.16","300","2","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 F3 O -","- C28 H21 F3 O -","- C112 H84 F12 O4 -","4","1","","Gao, Chi; Liu, Yang; Li, Cheng-Sheng; Guo, He; Wang, Sheng-Han; Xu, Cong; Wang, Mang","O-Trifluoromethylation of ketones: an alternative straightforward route to alkenyl trifluoromethyl ethers","Chemical Science","2025","16","19","8561","8568","10.1039/D5SC01073J","","","0.71073","MoKα","","0.066","0.0484","","","0.1331","0.1538","","","","","","1.036","","","","has coordinates,has disorder","300595","2025-07-06","14:12:46",""
"1574378","7.4537","0.0004","14.2418","0.0007","15.4069","0.0006","90","","91.025","0.002","90","","1635.24","0.13","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 Cl3 N4 Zn -","- C12 H17 Cl3 N4 Zn -","- C48 H68 Cl12 N16 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0484","0.0384","","","0.0889","0.0949","","","","","","1.123","","","","has coordinates","300592","2025-07-06","14:11:40",""
"1574379","9.909","0.002","63.672","0.016","6.3765","0.0015","90","","127.717","0.007","90","","3182.4","1.3","150","2","150.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H9.01 Cl3 N2 Zn1.01 -","- C6 H9.014 Cl3 N2.00433 Zn1.00633 -","- C72 H108.168 Cl36 N24.052 Zn12.076 -","12","3","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.1208","0.0546","","","0.1048","0.1348","","","","","","1.019","","","","has coordinates,has disorder","300592","2025-07-06","14:11:42",""
"1574380","7.7054","0.0002","12.3265","0.0003","12.5814","0.0003","90","","92.11","0.001","90","","1194.18","0.05","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 Br3 N2 Zn -","- C7 H11 Br3 N2 Zn -","- C28 H44 Br12 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0369","0.0243","","","0.0497","0.0535","","","","","","1.067","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574381","9.5132","0.0005","14.134","0.0006","10.4282","0.0004","90","","104.052","0.001","90","","1360.21","0.11","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 Br4 N2 Zn -","- C7 H12 Br4 N2 Zn -","- C28 H48 Br16 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0508","0.0284","","","0.0525","0.0588","","","","","","1.002","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574382","14.4961","0.0006","7.8886","0.0004","16.379","0.0008","90","","93.194","0.002","90","","1870.09","0.15","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Br4 N4 Zn -","- C12 H18 Br4 N4 Zn -","- C48 H72 Br16 N16 Zn4 -","4","0.5","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0324","0.0219","","","0.0496","0.0533","","","","","","1.038","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574383","8.0104","0.0002","11.5319","0.0004","13.8196","0.0004","90","","105.667","0.001","90","","1229.16","0.06","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 Cl3 N2 Zn -","- C8 H13 Cl3 N2 Zn -","- C32 H52 Cl12 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.065","0.0351","","","0.0565","0.0656","","","","","","1.048","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574384","9.3199","0.0004","13.5559","0.0006","10.0752","0.0004","90","","105.093","0.002","90","","1228.99","0.09","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 Cl4 N2 Zn -","- C7 H12 Cl4 N2 Zn -","- C28 H48 Cl16 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0301","0.0218","","","0.0504","0.0533","","","","","","1.053","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574385","7.4173","0.0002","12.0708","0.0004","12.3184","0.0003","90","","92.933","0.001","90","","1101.46","0.05","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 Cl3 N2 Zn -","- C7 H11 Cl3 N2 Zn -","- C28 H44 Cl12 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0267","0.0218","","","0.0505","0.0521","","","","","","1.078","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574386","11.5216","0.0004","9.1377","0.0003","13.3073","0.0004","90","","101.747","0.001","90","","1371.66","0.08","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Cl4 N2 Zn -","- C8 H14 Cl4 N2 Zn -","- C32 H56 Cl16 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0388","0.0248","","","0.0517","0.056","","","","","","1.04","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574387","25.8746","0.0008","7.9515","0.0003","13.9583","0.0005","90","","93.801","0.001","90","","2865.49","0.17","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","C8H13Br4N2Zn","","- C8 H14 Br4 N2 Zn -","- C8 H14 Br4 N2 Zn -","- C64 H112 Br32 N16 Zn8 -","8","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0386","0.024","","","0.0489","0.0532","","","","","","1.002","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574388","8.2015","0.0003","11.6705","0.0004","13.9617","0.0004","90","","104.989","0.001","90","","1290.88","0.07","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 Br3 N2 Zn -","- C8 H13 Br3 N2 Zn -","- C32 H52 Br12 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0466","0.04","","","0.1157","0.1214","","","","","","1.1","","","","has coordinates","300592","2025-07-06","14:11:52",""
"1574389","9.057","0.0003","9.1234","0.0002","18.0236","0.0004","90","","97.553","0.002","90","","1476.38","0.07","100.15","","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[2-{4-methylpyrazol-1-yl}-6-{pyrazol-1-yl}pyridine]iron(II)di(perchlorate)","","- C24 H22 Cl2 Fe N10 O8 -","- C24 H22 Cl2 Fe N10 O8 -","- C48 H44 Cl4 Fe2 N20 O16 -","2","1","","Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A.","The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals","Chemical Science","2025","16","21","9203","9212","10.1039/D5SC00090D","","","0.6889","synchrotron","","0.0807","0.056","","","0.1542","0.169","","","","","","1.033","","","","has coordinates,has disorder","300671","2025-07-06","14:47:28",""
"1574390","9.5177","0.0012","9.3657","0.0013","16.524","0.003","90","","93.848","0.013","90","","1469.6","0.4","100.15","","100.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2-{4-bromopyrazol-1-yl}-6-{pyrazol-1-yl}pyridine]iron(II)di(tetrafluoroborate)","","- C22 H16 B2 Br2 F8 Fe N10 -","- C22 H16 B2 Br2 F8 Fe N10 -","- C44 H32 B4 Br4 F16 Fe2 N20 -","2","1","","Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A.","The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals","Chemical Science","2025","16","21","9203","9212","10.1039/D5SC00090D","","","0.6889","synchrotron","","0.0969","0.0502","","","0.1009","0.1075","","","","","","0.765","","","","has coordinates,has disorder","300671","2025-07-06","14:47:28",""
"1574391","9.1111","0.0002","9.1607","0.0002","18.1574","0.0003","90","","97.194","0.002","90","","1503.56","0.05","220.15","","220.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[2-{4-methylpyrazol-1-yl}-6-{pyrazol-1-yl}pyridine]iron(II)di(perchlorate)","","- C24 H22 Cl2 Fe N10 O8 -","- C24 H22 Cl2 Fe N10 O8 -","- C48 H44 Cl4 Fe2 N20 O16 -","2","1","","Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A.","The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals","Chemical Science","2025","16","21","9203","9212","10.1039/D5SC00090D","","","0.6889","synchrotron","","0.0919","0.0554","","","0.1571","0.1776","","","","","","0.911","","","","has coordinates,has disorder","300671","2025-07-06","14:47:28",""
"1574392","9.0949","0.001","9.0814","0.0007","18.745","0.0014","90","","93.755","0.007","90","","1544.9","0.2","300.15","","300.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[2-{4-methylpyrazol-1-yl}-6-{pyrazol-1-yl}pyridine]iron(II)di(perchlorate)","","- C24 H22 Cl2 Fe N10 O8 -","- C24 H22 Cl2 Fe N10 O8 -","- C48 H44 Cl4 Fe2 N20 O16 -","2","1","","Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A.","The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals","Chemical Science","2025","16","21","9203","9212","10.1039/D5SC00090D","","","0.6889","synchrotron","","0.1173","0.0719","","","0.2136","0.2419","","","","","","0.861","","","","has coordinates,has disorder","300671","2025-07-06","14:47:28",""
"1574393","9.0959","0.0002","9.1543","0.0002","18.09","0.0003","90","","97.453","0.002","90","","1493.57","0.05","180.15","","180.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[2-{4-methylpyrazol-1-yl}-6-{pyrazol-1-yl}pyridine]iron(II)diperchlorate","","- C24 H22 Cl2 Fe N10 O8 -","- C24 H22 Cl2 Fe N10 O8 -","- C48 H44 Cl4 Fe2 N20 O16 -","2","1","","Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A.","The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals","Chemical Science","2025","16","21","9203","9212","10.1039/D5SC00090D","","","0.6889","synchrotron","","0.0853","0.0531","","","0.1475","0.1645","","","","","","0.914","","","","has coordinates,has disorder","300671","2025-07-06","14:47:28",""
"1574394","6.6579","0.0002","22.13","0.0005","7.8468","0.0002","90","","101.462","0.003","90","","1133.08","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Paramanik, Krishnendu; Bandopadhyay, Nilaj; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar","Highly efficient phenalenyl–copper bifunctional photoredox catalyst for direct C–H bond arylation of arenes and heteroarenes","Catalysis Science & Technology","2025","15","11","3325","3331","10.1039/D5CY00140D","","x-ray","1.54184","CuKα","","0.0423","0.0409","","","0.1062","0.1077","","","","","","1.052","","","","has coordinates","300394","2025-07-06","12:39:32",""
"1574395","6.6423","0.0002","13.8452","0.0003","16.6714","0.0004","79.252","0.002","85.493","0.002","83.62","0.002","1494.31","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","2","","Paramanik, Krishnendu; Bandopadhyay, Nilaj; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar","Highly efficient phenalenyl–copper bifunctional photoredox catalyst for direct C–H bond arylation of arenes and heteroarenes","Catalysis Science & Technology","2025","15","11","3325","3331","10.1039/D5CY00140D","","x-ray","1.54184","CuKα","","0.0416","0.0376","","","0.0983","0.1011","","","","","","1.067","","","","has coordinates","300394","2025-07-06","12:39:35",""
"1574396","11.9198","0.0002","13.4831","0.0002","22.5889","0.0004","84.99","0.002","84.584","0.001","82.389","0.001","3572.03","0.1","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H22.33333 Cl Cu N2 O3.66667 -","- C29 H22.3333 Cl Cu N2 O3.66667 -","- C174 H134 Cl6 Cu6 N12 O22 -","6","3","","Paramanik, Krishnendu; Bandopadhyay, Nilaj; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar","Highly efficient phenalenyl–copper bifunctional photoredox catalyst for direct C–H bond arylation of arenes and heteroarenes","Catalysis Science & Technology","2025","15","11","3325","3331","10.1039/D5CY00140D","","x-ray","1.54184","CuKα","","0.0633","0.0517","","","0.1111","0.1176","","","","","","1.041","","","","has coordinates","300394","2025-07-06","12:39:43",""
"1574397","20.8136","0.0018","6.0124","0.0004","21.4653","0.0018","90","","116.226","0.01","90","","2409.6","0.4","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","21","","- C58 H54 Cl6 -","- C58 H54 Cl6 -","- C116 H108 Cl12 -","2","0.5","","Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constanstin G.; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto","Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization","Chemical Science","2025","16","19","8262","8267","10.1039/D5SC01415H","","x-ray","0.71073","MoKα","","0.1094","0.0735","","","0.2135","0.2358","","","","","","1.075","","","","has coordinates,has disorder","300601","2025-07-06","14:14:24",""
"1574398","10.3623","0.0003","10.749","0.0003","11.4494","0.0003","65.158","0.001","86.14","0.001","73.882","0.001","1110.01","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 B Cl2 F4 S2 -","- C23 H17 B Cl2 F4 S2 -","- C46 H34 B2 Cl4 F8 S4 -","2","1","","Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constanstin G.; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto","Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization","Chemical Science","2025","16","19","8262","8267","10.1039/D5SC01415H","","single crystal","0.71073","MoKα","","0.0457","0.0424","","","0.1184","0.1217","","","","","","1.054","","","","has coordinates,has disorder","300601","2025-07-06","14:14:25",""
"1574399","15.1406","0.0008","10.3948","0.0005","32.4934","0.0017","90","","100.849","0.002","90","","5022.5","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 B F4 S2 -","- C28 H19 B F4 S2 -","- C224 H152 B8 F32 S16 -","8","1","","Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constanstin G.; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto","Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization","Chemical Science","2025","16","19","8262","8267","10.1039/D5SC01415H","","x-ray","0.71073","MoKα","","0.0372","0.0337","","","0.0862","0.0885","","","","","","1.038","","","","has coordinates,has disorder","300601","2025-07-06","14:14:25",""
"1574400","10.6757","0.0006","15.4534","0.0007","11.9779","0.0007","90","","109.437","0.002","90","","1863.44","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 B F4 S2 -","- C22 H15 B F4 S2 -","- C88 H60 B4 F16 S8 -","4","1","","Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constanstin G.; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto","Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization","Chemical Science","2025","16","19","8262","8267","10.1039/D5SC01415H","","x-ray","0.71073","MoKα","","0.0413","0.0325","","","0.0811","0.0874","","","","","","1.013","","","","has coordinates","300601","2025-07-06","14:14:25",""
"1574401","8.083","0.0004","11.2048","0.0006","18.8269","0.0008","90","","90","","90","","1705.12","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NMes-OO","","","- C17 H20 N2 O4 S -","- C17 H20 N2 O4 S -","- C68 H80 N8 O16 S4 -","4","1","","Jung, Eunsong; Rizzo, Antonio; Ryu, Hanseul; Cho, Minyoung; Choi, Tae-Lim","Controlled polymerization of levoglucosenone-derived enynes to give bio-based polymers with tunable degradation rates and high glass transition temperatures","Chemical Science","2025","16","19","8435","8442","10.1039/D5SC00630A","","","0.71073","MoKα","","0.0412","0.038","","","0.098","0.1001","","","","","","1.031","","","","has coordinates","300597","2025-07-06","14:13:14",""
"1574402","8.4134","0.0006","14.6866","0.0011","18.7432","0.0013","90","","90","","90","","2316","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NTs-ONTs","","","- C23 H24 N2 O5 S2 -","- C23 H24 N2 O5 S2 -","- C92 H96 N8 O20 S8 -","4","1","","Jung, Eunsong; Rizzo, Antonio; Ryu, Hanseul; Cho, Minyoung; Choi, Tae-Lim","Controlled polymerization of levoglucosenone-derived enynes to give bio-based polymers with tunable degradation rates and high glass transition temperatures","Chemical Science","2025","16","19","8435","8442","10.1039/D5SC00630A","","","0.71073","MoKα","","0.0376","0.0338","","","0.0822","0.084","","","","","","1.097","","","","has coordinates","300597","2025-07-06","14:13:15",""
"1574403","6.1916","0.0008","7.5616","0.0009","27.676","0.003","90","","90","","90","","1295.7","0.3","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2S)-2-(4-(benzyloxy)phenyl)cyclopropane-1-carbonitrile","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming","Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover","Chemical Science","2025","16","17","7191","7202","10.1039/D5SC00461F","","x-ray","1.34138","GaKα","","0.0439","0.0425","","","0.1111","0.1119","","","","","","1.039","","","","has coordinates","300588","2025-07-06","14:10:32",""
"1574404","9.2102","0.0014","6.6977","0.001","14.702","0.002","90","","98.797","0.004","90","","896.3","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2S)-2-(4-nitrophenyl)cyclopropane-1-carbonitrile","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","2","","Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming","Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover","Chemical Science","2025","16","17","7191","7202","10.1039/D5SC00461F","","x-ray","1.34138","GaKα","","0.0399","0.0396","","","0.106","0.1064","","","","","","1.06","","","","has coordinates","300588","2025-07-06","14:10:32",""
"1574405","7.186","0.0006","10.3981","0.0008","12.9161","0.001","90","","90","","90","","965.1","0.13","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R)-2-phenyl-2-(trifluoromethyl)cyclopropane-1-carbonitrile","","- C11 H8 F3 N -","- C11 H8 F3 N -","- C44 H32 F12 N4 -","4","1","","Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming","Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover","Chemical Science","2025","16","17","7191","7202","10.1039/D5SC00461F","","x-ray","1.34138","GaKα","","0.0433","0.0416","","","0.1063","0.1077","","","","","","1.079","","","","has coordinates","300588","2025-07-06","14:10:32",""
"1574406","10.4077","0.001","7.4147","0.0008","14.8363","0.0016","90","","92.504","0.004","90","","1143.8","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2S)-2-(Ferrocenyl)cyclopropane-1-carbonitrile","","- C14 H13 Fe N -","- C14 H13 Fe N -","- C56 H52 Fe4 N4 -","4","2","","Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming","Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover","Chemical Science","2025","16","17","7191","7202","10.1039/D5SC00461F","","x-ray","1.34138","GaKα","","0.0416","0.0376","","","0.0961","0.099","","","","","","1.083","","","","has coordinates","300588","2025-07-06","14:10:32",""
"1574407","7.0173","0.0004","9.839","0.0006","12.9563","0.0008","90","","90","","90","","894.54","0.09","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-2-bromo-2-phenylcyclopropane-1-carbonitrile","","- C10 H8 Br N -","- C10 H8 Br N -","- C40 H32 Br4 N4 -","4","1","","Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming","Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover","Chemical Science","2025","16","17","7191","7202","10.1039/D5SC00461F","","","1.34138","GaKα","","0.0427","0.0332","","","0.056","0.0586","","","","","","1.12","","","","has coordinates","300588","2025-07-06","14:10:32",""
"1574408","7.5069","0.0004","18.7077","0.0016","17.6728","0.0007","90","","90.683","0.005","90","","2481.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(SIMes)BH2(ASCO)","7","","- C25.5 H32 As B N2 O -","- C25.5 H32 As B N2 O -","- C102 H128 As4 B4 N8 O4 -","4","1","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","x-ray","1.54184","CuKα","K-L~2,3~","0.1611","0.1157","","","0.3318","0.3669","","","","","","1.317","","","","has coordinates,has disorder","300628","2025-07-06","14:28:25",""
"1574409","16.551","0.0002","8.9942","0.0001","20.2775","0.0002","90","","93.55","0.001","90","","3012.78","0.06","100","2","100","0.12","","","","","","","","7","C 1 2 1","C 2y","5","(SIMes)BH2OTf","1-SIMes","","- C31 H37 B F3 N2 O3 S -","- C31 H37 B F3 N2 O3 S -","- C124 H148 B4 F12 N8 O12 S4 -","4","1","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","","1.54184","CuKα","","0.0326","0.0323","","","0.0878","0.0881","","","","","","1.06","","","","has coordinates","300628","2025-07-06","14:28:26",""
"1574410","7.5149","0.0001","19.1431","0.0002","17.1323","0.0001","90","","90.562","0.001","90","","2464.51","0.04","100","2","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(SIMes)BH2(SCP)","2-SIMes","","- C25 H31 B N2 P S -","- C25 H31 B N2 P S -","- C100 H124 B4 N8 P4 S4 -","4","1","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","","1.54184","CuKα","","0.0441","0.0418","","","0.1144","0.1159","","","","","","1.028","","","","has coordinates,has disorder","300628","2025-07-06","14:28:26",""
"1574411","20.8665","0.0002","8.2701","0.0001","23.3283","0.0002","90","","90.258","0.001","90","","4025.68","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(SIMes)[BP(H)B(H)(C2B10H10Me)C(C12H8)S]","6","","- C37 H49 B12 N2 P S -","- C37 H49 B12 N2 P S -","- C148 H196 B48 N8 P4 S4 -","4","1","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0523","0.0414","","","0.1028","0.1081","","","","","","1.035","","","","has coordinates","300628","2025-07-06","14:28:26",""
"1574412","13.8895","0.0002","14.0251","0.0002","14.5748","0.0002","61.329","0.002","73.845","0.001","64.999","0.002","2247.48","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(SIMes)BH2(As-C4BPh5)","8","","- C55 H53 As B2 N2 -","- C55 H53 As B2 N2 -","- C110 H106 As2 B4 N4 -","2","1","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0473","0.0459","","","0.1253","0.1264","","","","","","1.042","","","","has coordinates,has disorder","300628","2025-07-06","14:28:26",""
"1574413","19.026","0.0002","24.2587","0.0001","9.7105","0.0001","90","","121.337","0.001","90","","3828.05","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","(SIMes)BH2S(CN3PPhCF3)","3-PhCF3","","- C41 H44 B F3 N5 P S -","- C41 H44 B F3 N5 P S -","- C164 H176 B4 F12 N20 P4 S4 -","4","2","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0401","0.0377","","","0.1019","0.1037","","","","","","1.06","","","","has coordinates,has disorder","300628","2025-07-06","14:28:26",""
"1574414","9.4437","0.0001","20.1987","0.0001","26.6309","0.0001","90","","90","","90","","5079.86","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(SIMes)BH2C(Ph)B(Ph)S(C4PPh3)","5","","- C63 H61 B2 N2 P S -","- C63 H61 B2 N2 P S -","- C252 H244 B8 N8 P4 S4 -","4","1","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0297","0.0291","","","0.0801","0.0805","","","","","","1.026","","","","has coordinates,has disorder","300628","2025-07-06","14:28:26",""
"1574415","9.8976","0.0004","22.3449","0.001","8.6049","0.0003","90","","105.549","0.001","90","","1833.42","0.13","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Nonamagnesium diruthenium","","- Mg9 Ru2 -","- Mg9 Ru2 -","- Mg72 Ru16 -","8","1","WM4227","Li, Junhui; Liu, Huizi; Liu, Yibo; Wen, Bin; Zhang, Lifeng; Fan, Changzeng","Nonamagnesium diruthenium, Mg9Ru2","IUCrData","2025","10","4","x250305","","10.1107/S2414314625003050","","","0.71073","MoKα","","0.0499","0.0313","","","0.0557","0.0587","","","","","","1.103","","","","has coordinates","300370","2025-07-05","10:15:20",""
"1574416","7.41048","0.00005","6.29241","0.00005","28.7488","0.00018","90","","94.1631","0.0006","90","","1337.01","0.016","143.15","","143.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","2","","Dai, Ling; Chen, Ying-Ying; Wang, Jing-Jun; Chen, Jun-Jia; Zhou, Qi-Lin","Photoinduced copper-catalysed enantioselective amination of allylic and propargylic C–H bonds","Chemical Science","2025","16","21","9213","9219","10.1039/D5SC00872G","","x-ray","1.54184","CuKα","","0.0313","0.0308","","","0.0913","0.0918","","","","","","1.109","","","","has coordinates","300675","2025-07-06","14:48:39",""
"1574417","8.7615","0.0003","10.5013","0.0003","17.8315","0.0006","84.768","0.003","83.36","0.003","85.557","0.003","1619.11","0.09","123","2","123","2","","","","","","","","2","P -1","-P 1","2","","7k","","- C24 H26 -","- C24 H26 -","- C96 H104 -","4","2","","Toyama, Yoshifumi; Nakamura, Takumu; Horikawa, Yushin; Morinaka, Yuta; Ono, Yohei; Yagi, Akiko; Itami, Kenichiro; Ito, Hideto","Rh-catalyzed mechanochemical transfer hydrogenation for the synthesis of periphery-hydrogenated polycyclic aromatic compounds","Chemical Science","2025","16","21","9117","9124","10.1039/D5SC01489A","","x-ray","0.71073","MoKα","","0.0561","0.0456","","","0.1274","0.1334","","","","","","1.103","","","","has coordinates","300672","2025-07-06","14:47:38",""
"1574418","25.7173","0.0012","13.4757","0.0006","8.5134","0.0004","90","","90","","90","","2950.4","0.2","123","2","123","2","","","","","","","","2","C c c a :2","-C 2a 2ac","68","","7e","","- C42 H36 -","- C42 H36 -","- C168 H144 -","4","0.25","","Toyama, Yoshifumi; Nakamura, Takumu; Horikawa, Yushin; Morinaka, Yuta; Ono, Yohei; Yagi, Akiko; Itami, Kenichiro; Ito, Hideto","Rh-catalyzed mechanochemical transfer hydrogenation for the synthesis of periphery-hydrogenated polycyclic aromatic compounds","Chemical Science","2025","16","21","9117","9124","10.1039/D5SC01489A","","x-ray","0.71073","MoKα","","0.0466","0.0387","","","0.1035","0.1089","","","","","","1.044","","","","has coordinates","300672","2025-07-06","14:47:38",""
"1574419","9.5878","0.0007","17.3304","0.0017","20.2331","0.0015","90","","102.886","0.008","90","","3277.3","0.5","123","2","123","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","compound_6c","","- C22 H32 -","- C22 H32 -","- C176 H256 -","8","1","","Toyama, Yoshifumi; Nakamura, Takumu; Horikawa, Yushin; Morinaka, Yuta; Ono, Yohei; Yagi, Akiko; Itami, Kenichiro; Ito, Hideto","Rh-catalyzed mechanochemical transfer hydrogenation for the synthesis of periphery-hydrogenated polycyclic aromatic compounds","Chemical Science","2025","16","21","9117","9124","10.1039/D5SC01489A","","x-ray","0.71073","MoKα","","0.1014","0.072","","","0.1933","0.2108","","","","","","1.042","","","","has coordinates","300672","2025-07-06","14:47:38",""
"1574420","26.5679","0.0003","26.5679","0.0003","23.7512","0.0005","90","","90","","90","","16764.9","0.4","99.99","0.11","100.15","","","","","","","","","7","I 4/m","-I 4","87","","","","- C325 H377 Ag4 Cl32 Cu28 P8 S16 -","- C280 H272 Ag4 Cl32 Cu28 P8 S16 -","- C560 H544 Ag8 Cl64 Cu56 P16 S32 -","2","0.125","","Nag, Abhijit; Butt, Abdul Mannan; Yang, Moon Young; Managutti, Praveen B.; Pirzada, Bilal Masood; H Mohideen, M Infas; Abdelhady, Ahmed L.; Abu Haija, Mohamed; Mohamed, Sharmarke; Merinov, Boris V.; GoddardIII, William A; Qurashi, Ahsanulhaq","An atomically precise alloy AgCu cuboid nanocluster with a cubic core: gram scale synthesis, total structure, electronic structure, and catalytic performance.","Materials horizons","2025","12","14","5252","5258","10.1039/d4mh01324g","","","1.54184","CuKα","","0.1003","0.0806","","","0.2607","0.2919","","","","","","1.094","","","","has coordinates,has disorder","301647","2025-08-05","22:36:11",""
"1574421","4.041","0.003","4.041","0.003","10.01","0.009","90","","90","","90","","163.5","0.2","296","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","Calcium copper iron disilicide","","- Ca Cu1.42 Fe0.58 Si2 -","- Ca Cu1.42 Fe0.58 Si2 -","- Ca2 Cu2.84 Fe1.16 Si4 -","2","0.0625","BT4168","Dai, Yangkun; Liu, Yibo; Mihalkovic, Marek; Wen, Bin; Zhang, Lifeng; Fan, Changzeng","CaCu1.424Fe0.576Si2","IUCrData","2025","10","4","x250325","","10.1107/S2414314625003256","","","0.71073","MoKα","","0.0944","0.0711","","","0.1472","0.1557","","","","","","1.288","","","","has coordinates,has disorder","300370","2025-07-05","10:15:20",""
"1574422","17.3151","0.0008","19.776","0.0009","24.0152","0.001","104.281","0.002","99.666","0.002","110.711","0.002","7152.9","0.6","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H132 N4 O8 P4 -","- C168 H132 N4 O8 P4 -","- C336 H264 N8 O16 P8 -","2","1","","Yang, Bo; Yan, Suqiong; Ban, Shirong; Ma, Hui; Zhang, Yuan; Feng, Fanda; Huang, Wei","Customizing circularly polarized afterglow by stepwise chiral amplification in BINAPs/BINAPOs","Chemical Science","2025","16","21","9393","9405","10.1039/D4SC08710K","","","1.34139","GaKα","","0.184","0.1083","","","0.2529","0.283","","","","","","1.02","","","","has coordinates","300673","2025-07-06","14:47:49",""
"1574423","11.8295","0.0007","6.0362","0.0003","14.3214","0.0009","90","","109.685","0.003","90","","962.86","0.1","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 S2 -","- C12 H8 Du4 S2 -","- C48 H32 Du16 S8 -","4","1","","Zeng, Huiwen; Li, Hualiu; Zhen, Peng; Zhou, Jiadong; Xu, Bingjia; Shi, Guang; Zhang, Yujian; Chi, Zhenguo; Liu, Cong","Tuning intramolecular charge transfer and suppressing rotations in thianthrene derivatives for enhancement of room-temperature phosphorescence","Chemical Science","2025","16","21","9169","9177","10.1039/D5SC01176K","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","300666","2025-07-06","14:46:19",""
"1574424","7.8218","0.0005","8.1282","0.0005","16.4591","0.001","84.174","0.002","77.024","0.002","63.829","0.002","915.16","0.1","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","1","","Zeng, Huiwen; Li, Hualiu; Zhen, Peng; Zhou, Jiadong; Xu, Bingjia; Shi, Guang; Zhang, Yujian; Chi, Zhenguo; Liu, Cong","Tuning intramolecular charge transfer and suppressing rotations in thianthrene derivatives for enhancement of room-temperature phosphorescence","Chemical Science","2025","16","21","9169","9177","10.1039/D5SC01176K","","","0.71073","MoKα","","0.0467","0.0375","","","0.0839","0.0899","","","","","","1.024","","","","has coordinates","300666","2025-07-06","14:46:19",""
"1574425","11.4034","0.0005","11.4007","0.0004","21.3464","0.0009","90","","97.826","0.002","90","","2749.33","0.19","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 S2 -","- C18 H12 S2 -","- C144 H96 S16 -","8","2","","Zeng, Huiwen; Li, Hualiu; Zhen, Peng; Zhou, Jiadong; Xu, Bingjia; Shi, Guang; Zhang, Yujian; Chi, Zhenguo; Liu, Cong","Tuning intramolecular charge transfer and suppressing rotations in thianthrene derivatives for enhancement of room-temperature phosphorescence","Chemical Science","2025","16","21","9169","9177","10.1039/D5SC01176K","","","0.71073","MoKα","","0.0493","0.0349","","","0.0826","0.0901","","","","","","1.024","","","","has coordinates","300666","2025-07-06","14:46:19",""
"1574426","20.081","0.003","11.1282","0.0017","29.075","0.005","90","","91.588","0.007","90","","6494.8","1.8","197","","197","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 S2 -","- C18.4328 H11.5592 S1.81225 -","- C294.924 H184.948 S28.996 -","16","4","","Zeng, Huiwen; Li, Hualiu; Zhen, Peng; Zhou, Jiadong; Xu, Bingjia; Shi, Guang; Zhang, Yujian; Chi, Zhenguo; Liu, Cong","Tuning intramolecular charge transfer and suppressing rotations in thianthrene derivatives for enhancement of room-temperature phosphorescence","Chemical Science","2025","16","21","9169","9177","10.1039/D5SC01176K","","","1.54178","CuKα","","0.0456","0.0433","","","0.0983","0.0995","","","","","","1.11","","","","has coordinates,has disorder","300666","2025-07-06","14:46:19",""
"1574427","23.9383","0.0007","10.5614","0.0003","31.7091","0.0009","90","","111.457","0.001","90","","7461.1","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H66 Cl2 P2 Pd -","- C54 H66 Cl2 P2 Pd -","- C324 H396 Cl12 P12 Pd6 -","6","1.5","","Qadir, Muhammad I.; Chacón-Rosales, Gustavo; Ebersol, Camila P.; Abarca, Gabriel; Matias, Pedro H. F.; de Oliveira, Heibbe Cristhian B.; Pontes, Renato B.; Stieler, Rafael; Dupont, Jairton","Surface palladium nanoparticles in ionic liquids modified with phosphorus ligands for enhanced catalytic semi-hydrogenation.","Nanoscale","2025","17","28","16705","16712","10.1039/d5nr00789e","","","0.71073","MoKα","","0.0723","0.0556","","","0.1226","0.1336","","","","","","1.16","","","","has coordinates","301613","2025-08-05","22:16:16",""
"1574428","9.0671","0.0002","12.1162","0.0003","12.1238","0.0003","93.193","0.002","94.436","0.002","98.838","0.002","1309.06","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","K5ClIn14Se23","","","- Cl In14 K5 Se23 -","- Cl In14 K5 Se23 -","- Cl In14 K5 Se23 -","1","1","","Pei, Shao-Min; Wu, Fan; Zhang, Ming-Shu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","Non-centrosymmetric structures designed rationally <i>via</i> a ""dimensionality addition"" strategy toward the promising nonlinear optical family [A-X][In-Se] (A = K/Ba and Rb/Ba; X = Cl and Br).","Materials horizons","2025","12","14","5204","5210","10.1039/d5mh00011d","","","0.71073","MoKα","","0.0341","0.0285","","","0.0576","0.06","","","","","","0.888","","","","has coordinates","301646","2025-08-05","22:35:53",""
"1574429","14.0681","0.0001","14.0681","0.0001","19.7774","0.0002","90","","90","","120","","3389.77","0.05","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","Rb5BaClIn18Se30","","","- Ba Cl In18 Rb5 Se30 -","- Ba1.0001 Cl In18 Rb5 Se30 -","- Ba2.0002 Cl2 In36 Rb10 Se60 -","2","0.166667","","Pei, Shao-Min; Wu, Fan; Zhang, Ming-Shu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","Non-centrosymmetric structures designed rationally <i>via</i> a ""dimensionality addition"" strategy toward the promising nonlinear optical family [A-X][In-Se] (A = K/Ba and Rb/Ba; X = Cl and Br).","Materials horizons","2025","12","14","5204","5210","10.1039/d5mh00011d","","","0.71073","MoKα","","0.0179","0.0174","","","0.0434","0.0436","","","","","","1.061","","","","has coordinates","301646","2025-08-05","22:35:53",""
"1574430","25.552","0.005","11.5176","0.0003","20.3164","0.0019","90","","125.12","0.02","90","","4890.6","1.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","K13BaCl5In22Se38","","","- Ba Cl5 In22 K13 Se38 -","- Ba Cl5 In22 K13 Se38 -","- Ba2 Cl10 In44 K26 Se76 -","2","0.5","","Pei, Shao-Min; Wu, Fan; Zhang, Ming-Shu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","Non-centrosymmetric structures designed rationally <i>via</i> a ""dimensionality addition"" strategy toward the promising nonlinear optical family [A-X][In-Se] (A = K/Ba and Rb/Ba; X = Cl and Br).","Materials horizons","2025","12","14","5204","5210","10.1039/d5mh00011d","","","0.71073","MoKα","","0.0555","0.049","","","0.1252","0.129","","","","","","1.022","","","","has coordinates","301646","2025-08-05","22:35:53",""
"1574431","14.0037","0.0003","14.0037","0.0003","19.6844","0.0009","90","","90","","120","","3343.02","0.18","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","K5BaClIn18Se30","","","- Ba Cl In18 K5 Se30 -","- Ba1.0001 Cl In18 K5 Se30 -","- Ba2.0002 Cl2 In36 K10 Se60 -","2","0.166667","","Pei, Shao-Min; Wu, Fan; Zhang, Ming-Shu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","Non-centrosymmetric structures designed rationally <i>via</i> a ""dimensionality addition"" strategy toward the promising nonlinear optical family [A-X][In-Se] (A = K/Ba and Rb/Ba; X = Cl and Br).","Materials horizons","2025","12","14","5204","5210","10.1039/d5mh00011d","","","0.71073","MoKα","","0.0205","0.0177","","","0.0345","0.0351","","","","","","1.025","","","","has coordinates","301646","2025-08-05","22:35:53",""
"1574432","25.4344","0.0014","11.4919","0.0003","20.2696","0.0019","90","","125.124","0.009","90","","4845.8","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","LiK14Cl5In22Se38","","","- Cl5 In22 K14 Li Se38 -","- Cl5 In22 K14 Li Se38 -","- Cl10 In44 K28 Li2 Se76 -","2","0.5","","Pei, Shao-Min; Wu, Fan; Zhang, Ming-Shu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","Non-centrosymmetric structures designed rationally <i>via</i> a ""dimensionality addition"" strategy toward the promising nonlinear optical family [A-X][In-Se] (A = K/Ba and Rb/Ba; X = Cl and Br).","Materials horizons","2025","12","14","5204","5210","10.1039/d5mh00011d","","","0.71073","MoKα","","0.0317","0.0261","","","0.0514","0.0531","","","","","","1.003","","","","has coordinates","301646","2025-08-05","22:35:53",""
"1574433","9.1426","0.0001","12.176","0.0002","12.2109","0.0002","93.231","0.001","94.496","0.001","98.854","0.001","1335.76","0.03","293","2","293","2","","","","","","","","4","P 1","P 1","1","Rb5ClIn14Se23","","","- Cl In14 Rb5 Se23 -","- Cl In14 Rb5 Se23 -","- Cl In14 Rb5 Se23 -","1","1","","Pei, Shao-Min; Wu, Fan; Zhang, Ming-Shu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","Non-centrosymmetric structures designed rationally <i>via</i> a ""dimensionality addition"" strategy toward the promising nonlinear optical family [A-X][In-Se] (A = K/Ba and Rb/Ba; X = Cl and Br).","Materials horizons","2025","12","14","5204","5210","10.1039/d5mh00011d","","","0.71073","MoKα","","0.0299","0.0283","","","0.0673","0.068","","","","","","1.019","","","","has coordinates","301646","2025-08-05","22:35:53",""
"1574434","25.4599","0.001","4.8787","0.0002","23.7344","0.0009","90","","107.608","0.004","90","","2810","0.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","nicotinamide_3-hydroxy-2-napthoic acid","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C136 H112 N16 O32 -","8","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0359","0.0316","","","0.0825","0.0851","","","","","","1.047","","","","has coordinates","300556","2025-07-06","13:54:51",""
"1574435","9.6893","0.0001","16.7367","0.0002","15.0094","0.0002","90","","99.937","0.001","90","","2397.51","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","4,4'-bipyridine_methyl_gallate_MeNO2","","- C48 H50 N8 O16 -","- C48 H50 N8 O16 -","- C96 H100 N16 O32 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0481","0.0428","","","0.1164","0.12","","","","","","1.04","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574436","5.198","0.0003","7.7142","0.0004","16.8659","0.0008","85.429","0.004","88.957","0.004","83.901","0.004","670.3","0.06","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","nicotinamide_methyl gallate","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C28 H28 N4 O12 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0537","0.0449","","","0.1245","0.1323","","","","","","1.05","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574437","8.2386","0.0006","9.1933","0.0006","12.2557","0.0007","109.346","0.005","104.319","0.006","92.86","0.005","839.76","0.1","150.15","","150.15","","","","","","","","","4","P -1","-P 1","2","","caffeine_quinol","","- C17 H19 N4 O5 -","- C17 H19 N4 O5 -","- C34 H38 N8 O10 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0678","0.055","","","0.1525","0.1658","","","","","","1.06","","","","has coordinates,has disorder","300556","2025-07-06","13:54:52",""
"1574438","5.7882","0.0002","8.051","0.0003","13.3821","0.0005","96.039","0.003","91.946","0.003","94.003","0.003","618.11","0.04","150","","150","","","","","","","","","4","P -1","-P 1","2","","nicotinamide_2,4-dihydroxybenzoic acid","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C26 H24 N4 O10 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0413","0.0351","","","0.0965","0.1","","","","","","1.072","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574439","6.2329","0.0007","22.008","0.003","9.4129","0.0011","90","","99.411","0.01","90","","1273.8","0.3","294.98","0.17","294.98","0.17","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-bipyridine_3,5-dinitrobenzoic acid","","- C12 H8 N3 O6 -","- C12 H8 N3 O6 -","- C48 H32 N12 O24 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0832","0.0593","","","0.157","0.1716","","","","","","1.089","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574440","9.7342","0.0006","10.4465","0.0005","10.8557","0.0007","77.28","0.005","86.238","0.005","72.443","0.005","1026.64","0.11","150","","150","","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridine_3-hydroxy-2-naphthoic acid","","- C26 H20 N3 O3 -","- C26 H20 N3 O3 -","- C52 H40 N6 O6 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0579","0.0457","","","0.1133","0.1201","","","","","","1.062","","","","has coordinates,has disorder","300556","2025-07-06","13:54:52",""
"1574441","9.0412","0.0005","24.4254","0.001","8.6209","0.0005","90","","116.71","0.007","90","","1700.65","0.19","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","caffeine_3-hydroxy-2-naphthoic acid","","- C19 H18 N4 O5 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0427","0.0395","","","0.109","0.1116","","","","","","1.059","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574442","9.4553","0.0002","17.6614","0.0004","28.0494","0.0005","90","","93.143","0.002","90","","4677.03","0.17","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","4,4'-bipyridine_methyl gallate_DMF_H2O","","- C49 H51 N7 O13 -","- C49 H51 N7 O13 -","- C196 H204 N28 O52 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0282","0.0274","","","0.0749","0.0753","","","","","","1.049","","","","has coordinates,has disorder","300556","2025-07-06","13:54:52",""
"1574443","7.1718","0.0004","8.5853","0.0005","13.748","0.0006","90.289","0.004","100.961","0.004","106.499","0.005","795.26","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","caffeine_2,4-dihydroxybenzoic acid_H2O","","- C15 H18 N4 O7 -","- C15 H18 N4 O7 -","- C30 H36 N8 O14 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.062","0.048","","","0.1219","0.129","","","","","","1.05","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574444","13.6498","0.0005","7.3982","0.0002","16.4817","0.0005","90","","106.994","0.003","90","","1591.71","0.09","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-dipyridine_3,5-dinitrobenzoic acid","","- C17 H12 N4 O6 -","- C17 H12 N4 O6 -","- C68 H48 N16 O24 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0476","0.0422","","","0.1187","0.1243","","","","","","1.045","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574445","10.6221","0.0004","11.3226","0.0003","11.5995","0.0005","90","","107.861","0.004","90","","1327.83","0.09","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-2-naphthoic acid_1,2-bis(4-pyridyl)ethane","","- C17 H14 N O3 -","- C17 H14 N O3 -","- C68 H56 N4 O12 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0641","0.0551","","","0.1318","0.1366","","","","","","1.147","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574446","7.4821","0.0004","9.4572","0.0004","13.6078","0.0007","83.084","0.004","78.243","0.005","68.6","0.005","876.57","0.08","150.11","0.1","150.11","0.1","","","","","","","","4","P -1","-P 1","2","","orcino_phenazine","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C42 H40 N4 O6 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0526","0.0464","","","0.1318","0.1376","","","","","","1.072","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574447","13.0056","0.0003","6.5779","0.0002","17.0942","0.0004","90","","97.832","0.002","90","","1448.76","0.07","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","caffeine_glutaric acid","","- C13 H18 N4 O6 -","- C13 H18 N4 O6 -","- C52 H72 N16 O24 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0472","0.0377","","","0.1044","0.1116","","","","","","1.034","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574448","7.6282","0.0004","9.2277","0.0004","10.0237","0.0005","90","","111.011","0.006","90","","658.66","0.06","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tetramethylpyrazine_quinol","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C28 H36 N4 O4 -","2","0.5","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0363","0.0338","","","0.0906","0.0922","","","","","","1.075","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574449","6.9229","0.0002","10.1175","0.0003","23.0844","0.0007","90","","91.161","0.002","90","","1616.56","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","caffeine_methyl gallate","","- C16 H18 N4 O7 -","- C16 H18 N4 O7 -","- C64 H72 N16 O28 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0347","0.033","","","0.0946","0.0961","","","","","","1.056","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574450","7.239","0.0002","7.5083","0.0002","15.0443","0.0004","77.229","0.002","80.117","0.002","65.746","0.003","724.07","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","nicotinamide_2,4-dihydroxybenzoic acid_MeOH","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0429","0.0393","","","0.1112","0.1139","","","","","","1.045","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574451","5.5588","0.0001","9.9773","0.0003","50.1061","0.0016","90","","92.693","0.002","90","","2775.91","0.13","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridine_glutaric acid","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C120 H128 N16 O32 -","8","2","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0574","0.044","","","0.1155","0.1242","","","","","","1.07","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574452","8.7799","0.0008","10.0344","0.001","11.9985","0.001","67.885","0.009","77.744","0.007","69.42","0.009","912.91","0.16","150.1","0.1","150.1","0.1","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridine_orcinol","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","1","0.5","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0576","0.0517","","","0.1416","0.1476","","","","","","1.076","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574453","5.2125","0.0002","27.0087","0.001","10.3421","0.0003","90","","102.312","0.003","90","","1422.5","0.09","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","nicotinamide_quinol","","- C15 H15 N4 O3 -","- C15 H15 N4 O3 -","- C60 H60 N16 O12 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0648","0.0553","","","0.1485","0.1551","","","","","","1.036","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574454","8.9136","0.0004","11.3523","0.0005","12.4921","0.0005","90","","98.27","0.004","90","","1250.93","0.09","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridine_3-hydoxy-2-naphthoic acid","","- C16 H12 N O3 -","- C16 H12 N O3 -","- C64 H48 N4 O12 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0561","0.0448","","","0.1163","0.1249","","","","","","1.069","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574455","7.0215","0.0003","22.3185","0.0008","20.2612","0.0007","90","","92.304","0.003","90","","3172.6","0.2","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","nicotinamide_3,5-dinitrobenzoic acid_MeOH","","- C14 H14 N4 O8 -","- C14 H14 N4 O8 -","- C112 H112 N32 O64 -","8","2","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0581","0.0462","","","0.1319","0.144","","","","","","1.074","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574456","4.4079","0.0001","14.7459","0.0004","15.8719","0.0004","90","","96.239","0.002","90","","1025.54","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","caffeine_oxalic acid","","- C9 H11 N4 O4 -","- C9 H11 N4 O4 -","- C36 H44 N16 O16 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0414","0.0346","","","0.0909","0.0952","","","","","","1.042","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574457","9.0637","0.0002","29.4253","0.0008","12.6604","0.0004","90","","90","","90","","3376.56","0.16","149.99","0.1","149.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","caffeine_3,5-dinitrobenzoic acid","","- C15 H14 N6 O8 -","- C15 H14 N6 O8 -","- C120 H112 N48 O64 -","8","2","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0669","0.0597","","","0.1455","0.1494","","","","","","1.123","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574458","6.5495","0.0004","10.7984","0.0007","20.6573","0.0013","90","","97.076","0.006","90","","1449.84","0.16","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridine_2,4-dihydroxybenzoic acid","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.056","0.0481","","","0.1164","0.1204","","","","","","1.178","","","","has coordinates,has disorder","300556","2025-07-06","13:54:52",""
"1574459","9.5205","0.0002","12.1056","0.0003","16.1549","0.0003","99.092","0.002","97.39","0.002","105.51","0.002","1742.73","0.07","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridine_methyl gallate_H2O","","- C18 H19 N2 O6.5 -","- C18 H19 N2 O6.5 -","- C72 H76 N8 O26 -","4","2","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0491","0.0385","","","0.1051","0.1126","","","","","","1.044","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574460","7.244","0.0001","11.3576","0.0002","17.2682","0.0003","90","","97.939","0.002","90","","1407.11","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","nicotinamide_quinol","","- C15 H15 N4 O3 -","- C15 H15 N4 O3 -","- C60 H60 N16 O12 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0374","0.0336","","","0.0908","0.0932","","","","","","1.043","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574461","11.3891","0.0004","4.8402","0.0001","15.7088","0.0005","90","","110","0.004","90","","813.73","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","4,4'-bipyridine_thiodipropinoic acid","","- C16 H18 N2 O4 S -","- C16 H18 N2 O4 S -","- C32 H36 N4 O8 S2 -","2","0.5","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0397","0.0353","","","0.0911","0.0943","","","","","","1.071","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574462","5.4572","0.0002","7.3636","0.0003","15.1899","0.0011","99.538","0.005","94.453","0.004","104.74","0.004","577.54","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","nicotinamide_glutaric acid","","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C22 H28 N4 O10 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0436","0.0392","","","0.1069","0.1096","","","","","","1.047","","","","has coordinates","300556","2025-07-06","13:54:57",""
"1574463","7.8241","0.0004","8.6299","0.0005","9.2154","0.0006","112.063","0.006","109.788","0.006","94.584","0.005","527.1","0.07","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridine_quinol","","- C13 H11 N2 O -","- C13 H11 N2 O -","- C26 H22 N4 O2 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0441","0.04","","","0.1101","0.1137","","","","","","1.079","","","","has coordinates","300556","2025-07-06","13:55:00",""
"1574464","9.6729","0.0005","11.1667","0.0006","25.6156","0.0016","90.315","0.002","92.411","0.002","112.001","0.002","2562.4","0.3","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Dy N5 O11 P2 Se2 -","- C50 H52 Dy N5 O11 P2 Se2 -","- C100 H104 Dy2 N10 O22 P4 Se4 -","2","1","","Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min","A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition","Chemical Science","2025","16","23","10340","10348","10.1039/D5SC01302J","","","0.71073","MoKα","","0.0409","0.0363","","","0.0943","0.0974","","","","","","1.0398","","","","has coordinates","300661","2025-07-06","14:43:55",""
"1574465","9.585","0.009","25.97","0.02","11.34","0.012","90","","112.62","0.019","90","","2606","4","300","2","300.15","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C50 H52 Dy N5 O11 P2 Se2 -","- C50 H52 Dy N5 O11 P2 Se2 -","- C100 H104 Dy2 N10 O22 P4 Se4 -","2","0.5","","Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min","A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition","Chemical Science","2025","16","23","10340","10348","10.1039/D5SC01302J","","","0.71073","MoKα","","0.1658","0.0859","","","0.1556","0.1919","","","","","","1.115","","","","has coordinates","300661","2025-07-06","14:44:05",""
"1574466","9.7055","0.0012","11.1138","0.0013","25.416","0.003","90.469","0.003","92.518","0.004","112.134","0.003","2536.1","0.5","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Dy N5 O11 P2 Se2 -","- C50 H52 Dy N5 O11 P2 Se2 -","- C100 H104 Dy2 N10 O22 P4 Se4 -","2","1","","Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min","A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition","Chemical Science","2025","16","23","10340","10348","10.1039/D5SC01302J","","","0.71073","MoKα","","0.061","0.0582","","","0.1559","0.1582","","","","","","1.142","","","","has coordinates","300661","2025-07-06","14:44:06",""
"1574467","9.7539","0.0012","25.787","0.003","11.2182","0.0014","90","","111.587","0.004","90","","2623.7","0.6","298","","298","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C50 H52 Dy N5 O11 P2 Se2 -","- C50 H52 Dy N5 O11 P2 Se2 -","- C100 H104 Dy2 N10 O22 P4 Se4 -","2","0.5","","Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min","A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition","Chemical Science","2025","16","23","10340","10348","10.1039/D5SC01302J","","","0.71073","MoKα","","0.1165","0.068","","","0.1603","0.1927","","","","","","1.036","","","","has coordinates","300661","2025-07-06","14:44:15",""
"1574468","9.5847","0.0012","25.809","0.003","11.2751","0.0013","90","","112.946","0.003","90","","2568.4","0.5","193","","300","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C50 H52 Dy N5 O11 P2 Se2 -","- C50 H52 Dy N5 O11 P2 Se2 -","- C100 H104 Dy2 N10 O22 P4 Se4 -","2","0.5","","Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min","A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition","Chemical Science","2025","16","23","10340","10348","10.1039/D5SC01302J","","","0.71073","MoKα","","0.1493","0.0858","","","0.1817","0.2206","","","","","","1.039","","","","has coordinates","300661","2025-07-06","14:44:24",""
"1574469","5.8735","0.0011","17.634","0.003","17.716","0.003","90","","95.82","0.006","90","","1825.4","0.6","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 D2 N O4 -","- C20 H19 D2 N O4 -","- C80 H76 D8 N4 O16 -","4","1","","Wu, Yuanqing; Peng, Chuxiong; Zhan, Qichen; Lou, Xudong; Liu, Shijie; Lin, Xiaofeng; Han, Yulin; Cao, Peng; Cao, Tao","Towards trans-dual deuterated cyclopropanes via photoredox synergistic deuteration with D2O","Chemical Science","2025","16","21","9535","9542","10.1039/D5SC00350D","","","0.71073","MoKα","","0.1086","0.0567","","","0.1141","0.1369","","","","","","1.037","","","","has coordinates","300670","2025-07-06","14:47:12",""
"1574470","11.9108","0.0009","11.9108","0.0009","11.9108","0.0009","90","","90","","90","","1689.8","0.2","388.01","0.1","388.01","0.1","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C20 H32.03 Fe2 K2 N16 O4 -","- C20.0064 H32.0256 Fe2 K2 N16.0032 O4.0032 -","- C40.0128 H64.0512 Fe4 K4 N32.0064 O8.0064 -","2","0.0104167","","Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang","Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition","Chemical Science","2025","16","21","9109","9116","10.1039/D5SC00620A","","x-ray","0.71073","MoKα","","0.0662","0.0539","","","0.1519","0.1666","","","","","","1.077","","","","has coordinates,has disorder","300664","2025-07-06","14:45:54",""
"1574471","11.8245","0.0002","11.7157","0.0003","11.9825","0.0002","90","","91.798","0.002","90","","1659.15","0.06","368","2","368","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Fe K N8 O2 -","- C10 H16 Fe K N8 O2 -","- C40 H64 Fe4 K4 N32 O8 -","4","1","","Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang","Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition","Chemical Science","2025","16","21","9109","9116","10.1039/D5SC00620A","","","1.54184","CuKα","","0.0739","0.0532","","","0.1539","0.1688","","","","","","1.067","","","","has coordinates,has disorder","300664","2025-07-06","14:45:54",""
"1574472","9.1365","0.0001","11.702","0.0002","15.6616","0.0002","90","","102.667","0.001","90","","1633.71","0.04","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Fe K N8 O2 -","- C10 H16 Fe K N8 O2 -","- C40 H64 Fe4 K4 N32 O8 -","4","1","","Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang","Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition","Chemical Science","2025","16","21","9109","9116","10.1039/D5SC00620A","","","1.54184","CuKα","","0.0485","0.0431","","","0.1137","0.1178","","","","","","1.048","","","","has coordinates","300664","2025-07-06","14:45:54",""
"1574473","11.7784","0.0005","11.6709","0.0004","11.9663","0.0005","90","","92.024","0.003","90","","1643.92","0.11","300","0.1","300","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Fe K N8 O2 -","- C10 H16 Fe K N8 O2 -","- C40 H64 Fe4 K4 N32 O8 -","4","1","","Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang","Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition","Chemical Science","2025","16","21","9109","9116","10.1039/D5SC00620A","","x-ray","0.71073","MoKα","","0.0587","0.0456","","","0.1116","0.1198","","","","","","1.082","","","","has coordinates,has disorder","300664","2025-07-06","14:45:54",""
"1574474","11.6613","0.0004","11.5994","0.0004","11.9561","0.0004","90","","92.675","0.003","90","","1615.47","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Fe K N8 O2 -","- C10 H16 Fe K N8 O2 -","- C40 H64 Fe4 K4 N32 O8 -","4","1","","Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang","Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition","Chemical Science","2025","16","21","9109","9116","10.1039/D5SC00620A","","x-ray","0.71073","MoKα","","0.0472","0.0379","","","0.0997","0.1047","","","","","","1.096","","","","has coordinates","300664","2025-07-06","14:45:54",""
"1574475","32.9135","0.0003","34.9741","0.0002","51.0599","0.0004","90","","90","","90","","58776.1","0.8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C320 H248 N16 O136 P10 Si4 W40 -","- C320 H248 N16 O136 P10 Si4 W40 -","- C1280 H992 N64 O544 P40 Si16 W160 -","4","0.5","","Yamaguchi, Masahiro; Yonesato, Kentaro; Shioya, Kaito; Li, Chifeng; Murata, Kei; Ishii, Kazuyuki; Yamaguchi, Kazuya; Suzuki, Kosuke","Engineering cofacial porphyrin dimers using lacunary polyoxotungstates","Chemical Science","2025","16","21","9178","9185","10.1039/D5SC00814J","","x-ray","0.4124","synchrotron","","0.1008","0.0824","","","0.2045","0.2181","","","","","","1.064","","","","has coordinates,has disorder","300662","2025-07-06","14:45:01",""
"1574476","28.75606","0.00013","31.5544","0.0002","34.30222","0.00019","66.2043","0.0006","85.0443","0.0004","69.9358","0.0005","26701.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H68 N20 O124 Si4 W36 -","- C100 H68 N20 O124 Si4 W36 -","- C200 H136 N40 O248 Si8 W72 -","2","1","","Yamaguchi, Masahiro; Yonesato, Kentaro; Shioya, Kaito; Li, Chifeng; Murata, Kei; Ishii, Kazuyuki; Yamaguchi, Kazuya; Suzuki, Kosuke","Engineering cofacial porphyrin dimers using lacunary polyoxotungstates","Chemical Science","2025","16","21","9178","9185","10.1039/D5SC00814J","","x-ray","0.4132","synchrotron","","0.0412","0.0365","","","0.1029","0.1054","","","","","","1.079","","","","has coordinates","300662","2025-07-06","14:45:01",""
"1574477","12.7494","0.0005","13.2904","0.0006","13.4525","0.0005","107.357","0.001","101.738","0.001","118.165","0.001","1750.18","0.13","150","2","150","","","","","","","","","6","P -1","-P 1","2","","SIFSIX-bidmb-Cu","","- C28 H28 Cu F6 N8 Si -","- C28 H28 Cu F6 N8 Si -","- C56 H56 Cu2 F12 N16 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","","0.71073","MoKα","","0.0333","0.0276","","","0.0682","0.0709","","","","","","1.042","","","","has coordinates","300627","2025-07-06","14:28:06",""
"1574478","12.5516","0.0007","13.1903","0.0007","13.4732","0.0007","61.077","0.003","77.461","0.003","62.358","0.003","1729.48","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","SIFSIX-bidmb-Cu_act","","","- C28 H28 Cu F6 N8 Si -","- C28.336 H28.123 Cu F6 N8.096 Si -","- C56.672 H56.246 Cu2 F12 N16.192 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","","0.71073","MoKα","","0.0707","0.0474","","","0.1232","0.1378","","","","","","1.054","","","","has coordinates,has disorder","300627","2025-07-06","14:28:07",""
"1574479","12.5344","0.0002","13.1083","0.0003","13.456","0.0003","60.939","0.002","77.661","0.002","62.396","0.002","1712.38","0.08","99.98","0.1","99.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H29 Cu F6 N8 Si -","- C31 H29 Cu F6 N8 Si -","- C62 H58 Cu2 F12 N16 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","x-ray","1.54184","CuKα","","0.0491","0.0459","","","0.1236","0.1259","","","","","","1.066","","","","has coordinates","300627","2025-07-06","14:28:07",""
"1574480","12.9047","0.0004","13.317","0.0004","13.4147","0.0004","107.942","0.001","101.071","0.001","118.191","0.001","1769.51","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","C2H2@SIFSIX-bidmb-Cu_act_in-situ","","","- C28 H28 Cu F6 N8 Si -","- C28 H28 Cu F6 N8 Si -","- C56 H56 Cu2 F12 N16 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","","0.71073","MoKα","","0.0581","0.038","","","0.0825","0.0897","","","","","","1.016","","","","has coordinates","300627","2025-07-06","14:28:07",""
"1574481","12.5027","0.0002","13.1215","0.0002","13.376","0.0002","61.138","0.002","77.684","0.001","62.477","0.002","1704.18","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cu F6 N8 Si -","- C28 H26 Cu F6 N8 Si -","- C56 H52 Cu2 F12 N16 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","x-ray","1.54184","CuKα","","0.0428","0.0416","","","0.1069","0.1078","","","","","","1.046","","","","has coordinates,has disorder","300627","2025-07-06","14:28:07",""
"1574482","12.7993","0.0004","13.3073","0.0005","13.4067","0.0005","107.373","0.002","101.567","0.002","118.29","0.002","1752.9","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","C2H4@SIFSIX-bidmb-Cu_act_in-situ","","","- C28 H28 Cu F6 N8 Si -","- C28 H28 Cu F6 N8 Si -","- C56 H56 Cu2 F12 N16 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","","0.71073","MoKα","","0.0691","0.0443","","","0.1043","0.115","","","","","","1.034","","","","has coordinates","300627","2025-07-06","14:28:07",""
"1574483","12.6837","0.0005","13.3315","0.0009","13.4082","0.0005","107.043","0.003","101.918","0.002","118.388","0.003","1738.32","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","CO2@SIFSIX-bidmb-Cu_act_in-situ","","","- C28 H28 Cu F6 N8 Si -","- C28.1302 H28.1302 Cu F6 N8.0372 Si -","- C56.2604 H56.2604 Cu2 F12 N16.0744 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","","0.71073","MoKα","","0.0999","0.0604","","","0.1215","0.1362","","","","","","1.045","","","","has coordinates,has disorder","300627","2025-07-06","14:28:07",""
"1574484","9.7465","0.0001","10.1714","0.0001","21.346","0.0002","89.847","0.001","85.104","0.001","75.293","0.001","2038.95","0.04","101","2","101","2","","","","","","","","4","P -1","-P 1","2","","Phen-Tpa","","- C110 H92 N8 O4.5 -","- C110 H90.588 N8 O5.168 -","- C110 H90.588 N8 O5.168 -","1","0.5","","Cai, Xian-Bao; Liang, Dong; Zhang, Deng-Chao; Jia, Ji-Hui; Wu, Xiao-Yuan; Lu, Can-Zhong","Achieving dual emission of thermally activated delayed fluorescence and ultralong room-temperature phosphorescence by controlling excited state dynamics through metal coordination","Chemical Science","2025","16","22","9802","9808","10.1039/D5SC00555H","","x-ray","1.3405","micro-focusmetaljet","","0.0408","0.0376","","","0.093","0.0957","","","","","","1.029","","","","has coordinates","300560","2025-07-06","13:57:26",""
"1574485","12.9145","0.0002","15.9498","0.0002","19.2708","0.0004","77.098","0.001","81.031","0.002","77.688","0.001","3755.75","0.11","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","Ag+DTPA","","- C94 H74 Ag B F4 N4 O P2 -","- C94 H74 Ag B F4 N4 O P2 -","- C188 H148 Ag2 B2 F8 N8 O2 P4 -","2","1","","Cai, Xian-Bao; Liang, Dong; Zhang, Deng-Chao; Jia, Ji-Hui; Wu, Xiao-Yuan; Lu, Can-Zhong","Achieving dual emission of thermally activated delayed fluorescence and ultralong room-temperature phosphorescence by controlling excited state dynamics through metal coordination","Chemical Science","2025","16","22","9802","9808","10.1039/D5SC00555H","","x-ray","1.3405","GaKα","","0.0433","0.0339","","","0.0824","0.0852","","","","","","1.044","","","","has coordinates","300560","2025-07-06","13:57:35",""
"1574486","11.056","0.0003","12.0361","0.0002","12.1017","0.0003","105.769","0.002","104.054","0.002","116.448","0.002","1257.78","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H34 Cl10 F12 Sb2 -","- C47 H34 Cl10 F12 Sb2 -","- C47 H34 Cl10 F12 Sb2 -","1","0.5","","Kai, Nobushige; Kono, Hideya; Stünkel, Timo; Imoto, Daiki; Zanasi, Riccardo; Monaco, Guglielmo; Summa, Francesco F.; Scott, Lawrence T.; Yagi, Akiko; Itami, Kenichiro","Stable cationic nanobelts synthesized by chemical oxidation of methylene-bridged [6]cycloparaphenylene","Chemical Science","2025","16","21","9195","9202","10.1039/D5SC01305D","","x-ray","0.71073","MoKα","","0.029","0.0259","","","0.0629","0.0639","","","","","","1.04","","","","has coordinates,has disorder","300669","2025-07-06","14:47:04",""
"1574487","10.2082","0.0011","10.3206","0.0009","10.8736","0.0009","95.963","0.007","114.424","0.01","96.569","0.008","1021.64","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 B10 O -","- C17 H24 B10 O -","- C34 H48 B20 O2 -","2","1","","Cao, Hou-Ji; Li, Jia-Xin; Yan, Jia-Hui; Liu, Miao-Xin; Zhao, Qianyi; Zhang, Jie; Zhang, Ju; Yan, Hong","Post-coordination of Ru(ii) controlled regioselective B(4)–H acylmethylation of o-carboranes with sulfoxonium ylides","Chemical Science","2025","16","21","9406","9412","10.1039/D5SC01576F","","x-ray","1.54184","CuKα","","0.0952","0.0701","","","0.2045","0.2243","","","","","","1.104","","","","has coordinates","300668","2025-07-06","14:46:48",""
"1574488","20.4669","0.0002","12.00586","0.00015","28.6857","0.0003","90","","90","","90","","7048.73","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H38 B20 O5 Ru -","- C24 H38 B20 O5 Ru -","- C192 H304 B160 O40 Ru8 -","8","1","","Cao, Hou-Ji; Li, Jia-Xin; Yan, Jia-Hui; Liu, Miao-Xin; Zhao, Qianyi; Zhang, Jie; Zhang, Ju; Yan, Hong","Post-coordination of Ru(ii) controlled regioselective B(4)–H acylmethylation of o-carboranes with sulfoxonium ylides","Chemical Science","2025","16","21","9406","9412","10.1039/D5SC01576F","","x-ray","1.54184","CuKα","","0.0683","0.0527","","","0.1459","0.1612","","","","","","1.027","","","","has coordinates","300668","2025-07-06","14:46:48",""
"1574489","10.0973","0.0004","10.5194","0.0003","10.8504","0.0005","103.664","0.003","111.893","0.004","96.953","0.003","1010.78","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 B10 N O3 -","- C16 H21 B10 N O3 -","- C32 H42 B20 N2 O6 -","2","1","","Cao, Hou-Ji; Li, Jia-Xin; Yan, Jia-Hui; Liu, Miao-Xin; Zhao, Qianyi; Zhang, Jie; Zhang, Ju; Yan, Hong","Post-coordination of Ru(ii) controlled regioselective B(4)–H acylmethylation of o-carboranes with sulfoxonium ylides","Chemical Science","2025","16","21","9406","9412","10.1039/D5SC01576F","","x-ray","1.54184","CuKα","","0.0709","0.0629","","","0.1732","0.1813","","","","","","1.074","","","","has coordinates","300668","2025-07-06","14:46:48",""
"1574490","10.5191","0.0002","10.8321","0.0003","18.0396","0.0004","90","","98.262","0.002","90","","2034.17","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 B10 Br O -","- C16 H21 B10 Br O -","- C64 H84 B40 Br4 O4 -","4","1","","Cao, Hou-Ji; Li, Jia-Xin; Yan, Jia-Hui; Liu, Miao-Xin; Zhao, Qianyi; Zhang, Jie; Zhang, Ju; Yan, Hong","Post-coordination of Ru(ii) controlled regioselective B(4)–H acylmethylation of o-carboranes with sulfoxonium ylides","Chemical Science","2025","16","21","9406","9412","10.1039/D5SC01576F","","x-ray","1.54184","CuKα","","0.0529","0.0465","","","0.1255","0.1326","","","","","","1.032","","","","has coordinates","300668","2025-07-06","14:46:48",""
"1574491","30.145","0.003","15.0646","0.0013","21.593","0.003","90","","132.881","0.002","90","","7185.4","1.4","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N2 Si -","- C20 H22 N2 Si -","- C320 H352 N32 Si16 -","16","2","","Saadi, Lamine; Valade, Loïc; Chauvier, Clément","Catalytic alkoxysilylation of C–H bonds with tert-butyl-substituted alkoxysilyldiazenes","Chemical Science","2025","16","22","9794","9801","10.1039/D5SC02059J","","x-ray","0.71073","MoKα","","0.1159","0.0509","","","0.1154","0.144","","","","","","0.922","","","","has coordinates","300558","2025-07-06","13:56:27",""
"1574492","6.8159","0.0008","10.7178","0.0011","12.2818","0.0013","78.849","0.004","85.474","0.004","86.837","0.004","876.79","0.17","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 F O Si -","- C18 H23 F O Si -","- C36 H46 F2 O2 Si2 -","2","1","","Saadi, Lamine; Valade, Loïc; Chauvier, Clément","Catalytic alkoxysilylation of C–H bonds with tert-butyl-substituted alkoxysilyldiazenes","Chemical Science","2025","16","22","9794","9801","10.1039/D5SC02059J","","","0.71073","MoKα","","0.1321","0.0765","","","0.1256","0.1436","","","","","","1.033","","","","has coordinates","300558","2025-07-06","13:56:28",""
"1574493","10.7944","0.0004","14.744","0.0006","17.168","0.0007","90","","108.135","0.001","90","","2596.61","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Cl4 N4 P3 -","- C20 H31 Cl4 N4 P3 -","- C80 H124 Cl16 N16 P12 -","4","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","MoKα","","0.0399","0.0277","","","0.0665","0.0715","","","","","","1.022","","","","has coordinates","300551","2025-07-06","13:49:21",""
"1574494","12.298","0.003","14.467","0.004","15.947","0.004","90","","101.842","0.003","90","","2776.8","1.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H31 Cl4 N4 P3 Se -","- C20 H31 Cl4 N4 P3 Se -","- C80 H124 Cl16 N16 P12 Se4 -","4","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","MoKα","","0.0445","0.0356","","","0.0751","0.0783","","","","","","1.027","","","","has coordinates","300551","2025-07-06","13:49:33",""
"1574495","8.9486","0.0002","16.9933","0.0005","18.8866","0.0005","90","","90.791","0.002","90","","2871.74","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Au Cl5 N4 P3 -","- C20 H31 Au Cl5 N4 P3 -","- C80 H124 Au4 Cl20 N16 P12 -","4","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","MoKα","","0.0333","0.0239","","","0.0524","0.0554","","","","","","1.036","","","","has coordinates","300551","2025-07-06","13:49:43",""
"1574496","12.3147","0.0008","14.3846","0.0009","15.9115","0.001","90","","101.938","0.002","90","","2757.6","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H31 Cl4 N4 P3 S -","- C20 H31 Cl4 N4 P3 S -","- C80 H124 Cl16 N16 P12 S4 -","4","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","Mokα","","0.0208","0.0195","","","0.0467","0.0474","","","","","","1.03","","","","has coordinates","300551","2025-07-06","13:49:52",""
"1574497","9.5514","0.0002","14.4875","0.0004","16.241","0.0004","93.285","0.001","93.598","0.001","109.054","0.001","2112.83","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H62 Cl2 N5 P3 -","- C40 H62 Cl2 N5 P3 -","- C80 H124 Cl4 N10 P6 -","2","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","MoKα","","0.0743","0.0409","","","0.0833","0.0937","","","","","","1.007","","","","has coordinates","300551","2025-07-06","13:50:02",""
"1574498","20.7075","0.0017","16.7414","0.0014","21.1042","0.0018","90","","90","","90","","7316.2","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Cl5 N4 P3 Ru -","- C30 H46 Cl5 N4 P3 Ru -","- C240 H368 Cl40 N32 P24 Ru8 -","8","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","Mokα","","0.0386","0.0273","","","0.0598","0.0654","","","","","","1.044","","","","has coordinates","300551","2025-07-06","13:50:08",""
"1574499","11.5068","0.0011","15.2965","0.0015","16.8157","0.0016","115.819","0.003","91.208","0.003","106.688","0.003","2515.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H61 Cl4 N4 P3 Ru2 -","- C40 H61 Cl4 N4 P3 Ru2 -","- C80 H122 Cl8 N8 P6 Ru4 -","2","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","Mokα","","0.0653","0.0351","","","0.068","0.0768","","","","","","1.004","","","","has coordinates","300551","2025-07-06","13:50:17",""
"1574500","22.017","0.003","14.1311","0.0018","20.335","0.003","90","","117.405","0.0017","90","","5616.7","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Cl N Ru -","- C30 H46 Cl N Ru -","- C240 H368 Cl8 N8 Ru8 -","8","2","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","Mokα","","0.0444","0.0296","","","0.0559","0.0614","","","","","","1.039","","","","has coordinates","300551","2025-07-06","13:50:19",""
"1574501","17.9105","0.0007","9.9902","0.0004","25.0966","0.001","90","","100.54","0.002","90","","4414.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H62 Cl2 N5 P3 Se2 -","- C40 H62 Cl2 N5 P3 Se2 -","- C160 H248 Cl8 N20 P12 Se8 -","4","0.5","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","MoKα","","0.0675","0.0399","","","0.0807","0.0892","","","","","","1.019","","","","has coordinates","300551","2025-07-06","13:50:27",""
"1574502","6.3548","0.001","7.1946","0.0012","19.21","0.003","90","","91.006","0.006","90","","878.2","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 -","- C22 H22 N2 -","- C44 H44 N4 -","2","0.5","","Uva, Azalea; Kim, Yaejin; Michailovich, Sofia; Hsu, Nathan S. Y.; Bain, David C.; Huang, Shine H.; Musser, Andrew J.; Tran, Helen","Impact of imine bonds on the electronic properties of degradable carotenoid-based conjugated polymers","Polymer Chemistry","2025","16","24","2817","2828","10.1039/D5PY00235D","","","0.71073","MoKα","","0.0425","0.039","","","0.1092","0.1128","","","","","","1.082","","","","has coordinates","301186","2025-07-06","18:02:35",""
"1574503","10.867","0.0004","15.2671","0.0006","19.1569","0.0008","90","","97.463","0.002","90","","3151.4","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Acetyl-2-amino-4-(2-fluorophenyl)-6-methyl-4<i>H</i>-pyran-3-carbonitrile dichloromethane hemisolvate","","- C31 H28 Cl2 F2 N4 O4 -","- C30.9999 H27.9998 Cl1.9998 F2 N4 O4 -","- C124 H111.999 Cl7.9992 F8 N16 O16 -","4","1","HB4509","Nyapola, Carren; Zamisa, Sizwe J.; Omondi, Bernard; Njogu, Eric M.","5-Acetyl-2-amino-4-(2-fluorophenyl)-6-methyl-4H-pyran-3-carbonitrile dichlomethane hemisolvate","IUCrData","2025","10","4","x250337","","10.1107/S2414314625003372","","x-ray","0.71073","MoKα","","0.0964","0.074","","","0.2132","0.2387","","","","","","1.077","","","","has coordinates,has disorder","300370","2025-07-05","10:15:20",""
"1574504","9.43","0.003","9.997","0.004","10.203","0.004","99.833","0.014","107.559","0.014","106.866","0.014","841.7","0.6","297","2","297","2","","","","","","","","4","P -1","-P 1","2","4,4-Dimethyl-2-phenyl-4,5-dihydropyrrolo[2,3,4-<i>kl</i>]acridin-1(2<i>H</i>)-one","11,11-Dimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.0^2,7^.0^13,16^]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C44 H36 N4 O2 -","2","1","HB4513","Islam, Izarul; Kanti Roy, Pijush; Zangrando, Ennio; Gopal Karmaker, Pran; Nath Roy, Harendra","4,4-Dimethyl-2-phenyl-4,5-dihydropyrrolo[2,3,4-kl]acridin-1(2H)-one","IUCrData","2025","10","4","x250361","","10.1107/S241431462500361X","","","0.71073","MoKα","","0.0629","0.0532","","","0.1325","0.1378","","","","","","1.118","","","","has coordinates","300370","2025-07-05","10:15:20",""
"1574505","8.2351","0.0001","12.2203","0.0001","24.1907","0.0002","90","","90","","90","","2434.44","0.04","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H15 B N2 O Si -","- C10 H15 B N2 O Si -","- C80 H120 B8 N16 O8 Si8 -","8","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0297","0.029","","","0.0801","0.0807","","","","","","1.055","","","","has coordinates","300554","2025-07-06","13:52:58",""
"1574506","12.7968","0.0003","5.9025","0.0002","17.2316","0.0004","90","","103.002","0.002","90","","1268.19","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 B N2 O3 -","- C12 H15 B N2 O3 -","- C48 H60 B4 N8 O12 -","4","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.049","0.0403","","","0.105","0.1102","","","","","","1.041","","","","has coordinates","300554","2025-07-06","13:53:00",""
"1574507","8.3573","0.0002","10.356","0.0003","17.9111","0.0005","90","","94.531","0.002","90","","1545.33","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 B N2 -","- C18 H21 B N2 -","- C72 H84 B4 N8 -","4","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0689","0.0582","","","0.1651","0.1731","","","","","","1.071","","","","has coordinates","300554","2025-07-06","13:53:08",""
"1574508","11.843","0.002","19.898","0.004","12.41","0.003","90","","107.45","0.02","90","","2789.9","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H70 Ag3 B3 N6 O2 -","- C59 H70 Ag3 B3 N6 O2 -","- C118 H140 Ag6 B6 N12 O4 -","2","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0641","0.0631","","","0.1705","0.1719","","","","","","1.039","","","","has coordinates","300554","2025-07-06","13:53:10",""
"1574509","7.6003","0.0002","7.2677","0.0002","12.3523","0.0003","90","","96.378","0.002","90","","678.08","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 B N2 O -","- C7 H7 B N2 O -","- C28 H28 B4 N8 O4 -","4","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0418","0.0362","","","0.0935","0.0968","","","","","","1.038","","","","has coordinates","300554","2025-07-06","13:53:18",""
"1574510","18.1164","0.0002","12.6662","0.0001","17.0662","0.0002","90","","118.098","0.001","90","","3454.57","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 B3 Li N7 O3 -","- C35 H41 B3 Li N7 O3 -","- C140 H164 B12 Li4 N28 O12 -","4","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0699","0.0588","","","0.1584","0.1682","","","","","","1.058","","","","has coordinates,has disorder","300554","2025-07-06","13:53:20",""
"1574511","13.2068","0.0002","15.3061","0.0002","14.4664","0.0002","90","","106.609","0.001","90","","2802.3","0.07","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C52 H43 B6 K4 N17 O2 -","- C52 H43 B6 K4 N17 O2 -","- C104 H86 B12 K8 N34 O4 -","2","0.5","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0611","0.0554","","","0.1583","0.1638","","","","","","1.046","","","","has coordinates,has disorder","300554","2025-07-06","13:53:29",""
"1574512","12.2579","0.0001","14.7917","0.0002","14.9932","0.0003","119.224","0.002","97.468","0.001","92.874","0.001","2332","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 B N2 -","- C17 H19 B N2 -","- C102 H114 B6 N12 -","6","3","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0716","0.0606","","","0.1838","0.1973","","","","","","1.046","","","","has coordinates","300554","2025-07-06","13:53:30",""
"1574513","6.7806","0.0002","19.1991","0.0007","22.5503","0.0006","83.564","0.003","85.956","0.002","83.743","0.002","2894.7","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 B N2 Si -","- C20 H27 B N2 Si -","- C120 H162 B6 N12 Si6 -","6","3","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0817","0.0635","","","0.1667","0.1775","","","","","","1.073","","","","has coordinates","300554","2025-07-06","13:53:39",""
"1574514","12.05","0.005","14.853","0.007","15.153","0.007","82.33","0.04","87.07","0.04","83.93","0.03","2671","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H63 Au3 B3 N6 -","- C60 H63 Au3 B3 N6 -","- C120 H126 Au6 B6 N12 -","2","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0328","0.0295","","","0.0735","0.0755","","","","","","0.95","","","","has coordinates,has disorder","300554","2025-07-06","13:53:39",""
"1574515","15.0166","0.0002","16.5087","0.0003","19.7579","0.0004","70.547","0.002","74.162","0.002","76.507","0.002","4388.02","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H112 B4 Br2 Mg4 N8 O3 -","- C86 H112 B4 Br2 Mg4 N8 O3 -","- C172 H224 B8 Br4 Mg8 N16 O6 -","2","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0977","0.0787","","","0.222","0.2354","","","","","","1.088","","","","has coordinates,has disorder","300554","2025-07-06","13:53:39",""
"1574516","12.1298","0.0001","14.725","0.0002","19.7956","0.0002","89.493","0.001","81.215","0.001","81.463","0.001","3455.18","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H68 B2 Li2 N4 O4 -","- C50 H68 B2 Li2 N4 O4 -","- C150 H204 B6 Li6 N12 O12 -","3","1.5","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.087","0.0768","","","0.2162","0.2279","","","","","","1.034","","","","has coordinates,has disorder","300554","2025-07-06","13:53:39",""
"1574517","14.941","0.0001","18.7016","0.0001","20.4482","0.0001","90","","110.607","0.001","90","","5348.07","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H62 B4 N4 O4 -","- C64 H62 B4 N4 O4 -","- C256 H248 B16 N16 O16 -","4","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.045","0.0379","","","0.0947","0.0996","","","","","","1.044","","","","has coordinates","300554","2025-07-06","13:53:39",""
"1574518","22.5318","0.0001","22.5318","0.0001","24.2167","0.0001","90","","90","","90","","12294.4","0.09","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C68 H72 B4 N8 Na4 -","- C68 H72 B4 N8 Na4 -","- C544 H576 B32 N64 Na32 -","8","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0379","0.0329","","","0.0892","0.0972","","","","","","1.076","","","","has coordinates","300554","2025-07-06","13:53:39",""
"1574519","13.503","0.0002","14.233","0.0002","21.0535","0.0002","83.073","0.001","73.678","0.001","66.26","0.001","3554.45","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H90 B4 Li4 N8 -","- C79 H90 B4 Li4 N8 -","- C158 H180 B8 Li8 N16 -","2","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0671","0.0531","","","0.1497","0.1604","","","","","","1.064","","","","has coordinates","300554","2025-07-06","13:53:39",""
"1574520","22.279","","22.279","","25.8166","0.0001","90","","90","","90","","12814.2","0.05","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C68 H72 B4 K4 N8 -","- C68 H72 B4 K4 N8 -","- C544 H576 B32 K32 N64 -","8","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0264","0.0258","","","0.07","0.0703","","","","","","1.049","","","","has coordinates","300554","2025-07-06","13:53:39",""
"1574521","19.063","0.003","19.742","0.003","27.214","0.004","79.311","0.012","78.555","0.012","63.042","0.011","8894","3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","Pt1Ag11(C6HF4S)5(C21H21O3P)7","","- C358 H312 Ag22 Cl8 F40 O42 P14 Pt2 S10 -","- C179 H156 Ag11 Cl4 F20 O21 P7 Pt S5 -","- C358 H312 Ag22 Cl8 F40 O42 P14 Pt2 S10 -","2","1","","Tan, Dong; Ding, Tengfei; Shen, Kaidong; Xu, Chang; Jin, Shan; Hu, Daqiao; Sun, Song; Zhu, Manzhou","Icosahedron kernel defect in Pt1Agx series of bimetallic nanoclusters enhances photocatalytic hydrogen evolution","Chemical Science","2025","16","21","9326","9336","10.1039/D5SC01735A","","","1.54186","CuKα","","0.0919","0.0695","","","0.1888","0.2059","","","","","","1.033","","","","has coordinates","300665","2025-07-06","14:46:05",""
"1574522","14.2241","0.0007","11.8676","0.0006","14.8052","0.0008","90","","111.477","0.0016","90","","2325.7","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 O4 -","- C27 H35 O4 -","- C108 H140 O16 -","4","1","","Hyun, Young Eum; Kweon, Jeonguk; Linh Phan, Thi Hieu; Kim, Dongwook; Han, Sunkyu","α-N-phthalimido-oxy isobutyrate-mediated deoxygenative arylation: total synthesis of alanenses A and B","Chemical Science","2025","16","22","9943","9950","10.1039/D5SC00341E","","","0.71073","MoKα","","0.0916","0.048","","","0.0998","0.1194","","","","","","1.04","","","","has coordinates,has disorder","300552","2025-07-06","13:50:51",""
"1574523","13.05","0.005","15.376","0.006","7.436","0.003","90","","103.521","0.014","90","","1450.7","1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C64 H88 O12 -","4","1","","Hyun, Young Eum; Kweon, Jeonguk; Linh Phan, Thi Hieu; Kim, Dongwook; Han, Sunkyu","α-N-phthalimido-oxy isobutyrate-mediated deoxygenative arylation: total synthesis of alanenses A and B","Chemical Science","2025","16","22","9943","9950","10.1039/D5SC00341E","","","0.71073","MoKα","","0.1244","0.0583","","","0.1027","0.1293","","","","","","1.082","","","","has coordinates","300552","2025-07-06","13:50:53",""
"1574524","6.6232","0.0008","15.1691","0.0017","18.739","0.002","90","","91.374","0.004","90","","1882.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 F3 O4 -","- C22 H19 F3 O4 -","- C88 H76 F12 O16 -","4","1","","Hyun, Young Eum; Kweon, Jeonguk; Linh Phan, Thi Hieu; Kim, Dongwook; Han, Sunkyu","α-N-phthalimido-oxy isobutyrate-mediated deoxygenative arylation: total synthesis of alanenses A and B","Chemical Science","2025","16","22","9943","9950","10.1039/D5SC00341E","","","0.71073","MoKα","","0.0906","0.0469","","","0.0867","0.1057","","","","","","1.066","","","","has coordinates","300552","2025-07-06","13:50:53",""
"1574525","8.6471","0.0016","11.616","0.002","11.779","0.002","91.132","0.006","107.559","0.006","99.486","0.006","1109.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 Cl3 O3 -","- C23 H25 Cl3 O3 -","- C46 H50 Cl6 O6 -","2","1","","Hyun, Young Eum; Kweon, Jeonguk; Linh Phan, Thi Hieu; Kim, Dongwook; Han, Sunkyu","α-N-phthalimido-oxy isobutyrate-mediated deoxygenative arylation: total synthesis of alanenses A and B","Chemical Science","2025","16","22","9943","9950","10.1039/D5SC00341E","","","0.71073","MoKα","","0.0875","0.0527","","","0.1144","0.1375","","","","","","1.038","","","","has coordinates,has disorder","300552","2025-07-06","13:50:53",""
"1574526","5.79932","0.00016","5.94057","0.00012","12.2815","0.0003","90","","90","","90","","423.113","0.018","40","","40","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji","Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography.","IUCrJ","2025","12","3","","","10.1107/S2052252525002647","","","0.2478","synchrotron","","0.0327","0.0273","","","0.0642","0.0655","","","","","","1.056","","","","has coordinates","299422","2025-04-26","02:11:25",""
"1574527","5.8033","0.0002","5.95953","0.00015","12.2978","0.0003","90","","90","","90","","425.32","0.02","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji","Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography.","IUCrJ","2025","12","3","","","10.1107/S2052252525002647","","","0.2489","synchrotron","","0.0277","0.024","","","0.0627","0.0638","","","","","","1.082","","","","has coordinates","299422","2025-04-26","02:11:26",""
"1574528","5.80343","0.00013","5.98084","0.00014","12.3143","0.0003","90","","90","","90","","427.422","0.017","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji","Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography.","IUCrJ","2025","12","3","","","10.1107/S2052252525002647","","","0.2481","synchrotron","","0.0364","0.031","","","0.0776","0.0798","","","","","","1.069","","","","has coordinates","299422","2025-04-26","02:11:26",""
"1574529","5.803","0.0003","6.0038","0.0003","12.333","0.0005","90","","90","","90","","429.68","0.04","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji","Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography.","IUCrJ","2025","12","3","","","10.1107/S2052252525002647","","","0.2481","synchrotron","","0.0423","0.0366","","","0.0889","0.0914","","","","","","1.09","","","","has coordinates","299422","2025-04-26","02:11:26",""
"1574530","5.27398","0.00014","11.655","0.0003","7.8107","0.0002","90","","93.993","0.003","90","","478.94","0.02","85","","85","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 N O3 S -","- C2 H7 N O3 S -","- C8 H28 N4 O12 S4 -","4","1","","Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji","Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography.","IUCrJ","2025","12","3","","","10.1107/S2052252525002647","","","0.2484","synchrotron","","0.0293","0.0235","","","0.07","0.0723","","","","","","1.053","","","","has coordinates","299422","2025-04-26","02:11:26",""
"1574531","5.274","0.00018","11.6462","0.0004","7.8849","0.0003","90","","94.073","0.004","90","","483.08","0.03","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 N O3 S -","- C2 H7 N O3 S -","- C8 H28 N4 O12 S4 -","4","1","","Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji","Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography.","IUCrJ","2025","12","3","","","10.1107/S2052252525002647","","","0.2484","synchrotron","","0.0358","0.0287","","","0.0756","0.0786","","","","","","1.059","","","","has coordinates","299422","2025-04-26","02:11:26",""
"1574532","5.2794","0.0003","11.6513","0.0007","7.9226","0.0005","90","","94.112","0.006","90","","486.08","0.05","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 N O3 S -","- C2 H7 N O3 S -","- C8 H28 N4 O12 S4 -","4","1","","Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji","Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography.","IUCrJ","2025","12","3","","","10.1107/S2052252525002647","","","0.2484","synchrotron","","0.0373","0.0302","","","0.0815","0.0852","","","","","","1.04","","","","has coordinates","299422","2025-04-26","02:11:26",""
"1574533","12.49474","0.00017","7.51825","0.00012","40.9329","0.0006","90","","90","","90","","3845.18","0.1","295.93","0.1","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H14 F2 N2 O2 Pt -","- C24 H14 F2 N2 O2 Pt -","- C192 H112 F16 N16 O16 Pt8 -","8","1","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","","1.54184","CuKα","","0.0451","0.0418","","","0.1094","0.1116","","","","","","1.087","","","","has coordinates","300667","2025-07-06","14:46:35",""
"1574534","11.297","0.0007","11.9689","0.0007","12.4494","0.0007","90","","107.362","0.002","90","","1606.62","0.16","100","0.2","100","0.2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C39 H31 F2 N3 P Pt -","- C39 H31 F2 N3 P Pt -","- C78 H62 F4 N6 P2 Pt2 -","2","0.5","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","x-ray","0.71073","MoKα","","0.0308","0.0278","","","0.0686","0.0703","","","","","","1.081","","","","has coordinates,has disorder","300667","2025-07-06","14:46:35",""
"1574535","11.2485","0.0009","13.3692","0.0011","13.834","0.0013","67.612","0.008","80.744","0.007","65.92","0.008","1756.2","0.3","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H24 F2 N3 O P Pt -","- C36 H24 F2 N3 O P Pt -","- C72 H48 F4 N6 O2 P2 Pt2 -","2","1","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","x-ray","0.71073","MoKα","","0.0947","0.0578","","","0.1131","0.1258","","","","","","0.971","","","","has coordinates","300667","2025-07-06","14:46:35",""
"1574536","11.7209","0.0003","12.2296","0.0003","12.3631","0.0003","80.842","0.001","74.977","0.001","72.509","0.001","1626.08","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H27 F3 N2 O3 P Pt -","- C38 H27 F3 N2 O3 P Pt -","- C76 H54 F6 N4 O6 P2 Pt2 -","2","1","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","","1.54178","CuKα","","0.0472","0.0412","","","0.0919","0.0953","","","","","","1.119","","","","has coordinates","301209","2025-07-10","11:18:53",""
"1574537","12.1153","0.0008","12.2147","0.0008","13.0461","0.0009","75.692","0.002","73.659","0.002","61.642","0.002","1615.52","0.19","100","0.2","100","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H27 F3 N3 O P Pt S -","- C38 H27 F3 N3 O P Pt S -","- C76 H54 F6 N6 O2 P2 Pt2 S2 -","2","1","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","x-ray","0.71073","MoKα","","0.0318","0.0262","","","0.0546","0.0564","","","","","","1.046","","","","has coordinates","300667","2025-07-06","14:46:35",""
"1574538","12.972","0.002","22.815","0.004","14.119","0.003","90","","91.864","0.007","90","","4176.4","1.3","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H45 F3 N3 O3 P Pt -","- C44 H31 F3 N3 O3 P Pt -","- C176 H124 F12 N12 O12 P4 Pt4 -","4","1","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","x-ray","0.71073","MoKα","","0.0701","0.0438","","","0.0929","0.1029","","","","","","1.043","","","","has coordinates","300667","2025-07-06","14:46:35",""
"1574539","12.223","0.002","14.921","0.003","18.193","0.004","101.507","0.007","97.929","0.007","95.935","0.007","3190.8","1.1","100","0.2","100","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H26 Cl2 F2 N3 P Pt S -","- C36.5 H25 Cl F2 N3 P Pt S -","- C146 H100 Cl4 F8 N12 P4 Pt4 S4 -","4","2","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","x-ray","0.71073","MoKα","","0.0539","0.0381","","","0.0883","0.0956","","","","","","1.034","","","","has coordinates","300667","2025-07-06","14:46:35",""
"1574540","34.8651","0.0007","29.9134","0.0006","11.7879","0.0002","90","","90","","90","","12294","0.4","170","2","170","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C137.5 H141 Cl5 O2 -","- C137.5 H136 Cl5 O2 -","- C550 H544 Cl20 O8 -","4","1","","Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan","Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism","Chemical Science","2025","16","22","9978","9987","10.1039/D5SC01498K","","","1.54184","CuKα","","0.0973","0.0863","","","0.1943","0.2012","","","","","","0.985","","","","has coordinates,has disorder","300557","2025-07-06","13:55:54",""
"1574541","35.148","0.0004","30.1006","0.0004","11.795","0.0002","90","","90","","90","","12478.8","0.3","170","2","170","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C135.75 H143 Cl1.5 O4.75 -","- C135.75 H137.5 Cl1.5 O4.75 -","- C543 H550 Cl6 O19 -","4","1","","Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan","Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism","Chemical Science","2025","16","22","9978","9987","10.1039/D5SC01498K","","","1.54184","CuKα","","0.0889","0.0735","","","0.197","0.2053","","","","","","0.927","","","","has coordinates,has disorder","300557","2025-07-06","13:55:55",""
"1574542","15.0587","0.0004","16.355","0.0003","25.5956","0.0004","85.232","0.002","78.91","0.002","88.617","0.002","6164.5","0.2","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C145 H168 O7 -","- C135 H137 O2 -","- C270 H274 O4 -","2","1","","Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan","Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism","Chemical Science","2025","16","22","9978","9987","10.1039/D5SC01498K","","","1.54184","CuKα","","0.1189","0.0971","","","0.2639","0.2841","","","","","","0.951","","","","has coordinates,has disorder","300557","2025-07-06","13:56:04",""
"1574543","14.4766","0.0001","26.96","0.0002","32.5283","0.0002","95.858","0.001","100.307","0.001","99.533","0.001","12204.1","0.16","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C136.12 H142.25 Cl2.25 O2 -","- C135.938 H141.875 Cl1.875 O2 -","- C543.75 H567.5 Cl7.5 O8 -","4","2","","Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan","Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism","Chemical Science","2025","16","22","9978","9987","10.1039/D5SC01498K","","","1.54184","CuKα","","0.1111","0.1003","","","0.2759","0.2874","","","","","","0.961","","","","has coordinates,has disorder","300557","2025-07-06","13:56:05",""
"1574544","23.0691","0.0005","30.9414","0.0006","33.7278","0.0013","90","","95.416","0.003","90","","23967.1","1.2","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C135.25 H144.75 Cl3 O4.88 -","- C136.5 H139 Cl3 O3 -","- C1092 H1112 Cl24 O24 -","8","2","","Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan","Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism","Chemical Science","2025","16","22","9978","9987","10.1039/D5SC01498K","","","1.54184","CuKα","","0.192","0.1299","","","0.2646","0.2968","","","","","","1.015","","","","has coordinates,has disorder","300557","2025-07-06","13:56:08",""
"1574545","9.1243","0.0005","9.6491","0.0004","8.7744","0.0004","90","","104.232","0.005","90","","748.8","0.06","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","tyramine","4-(2-aminoethyl)phenol","","- C8 H11 N O -","- C8 H11 N O -","- C32 H44 N4 O4 -","4","2","","Grabowski, Szymon; Nowakowska, Klaudia; Butkiewicz, Helena; Hoser, Anna; Wesełucha-Birczyńska, Aleksandra; Seidler, Tomasz; Moskal, Paulina; Gryl, Marlena","Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective.","IUCrJ","2025","12","3","","","10.1107/S2052252525002210","","x-ray","0.71073","MoKα","","0.102","0.062","","","0.1264","0.1403","","","","","","1.028","","","","has coordinates","299443","2025-04-29","02:05:12",""
"1574546","5.4977","0.0002","8.9826","0.0004","14.6789","0.0007","85.742","0.004","89.93","0.004","81.52","0.004","714.96","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","tyramine","4-(2-aminoethyl)phenol","","- C8 H11 N O -","- C8 H11 N O -","- C32 H44 N4 O4 -","4","2","","Grabowski, Szymon; Nowakowska, Klaudia; Butkiewicz, Helena; Hoser, Anna; Wesełucha-Birczyńska, Aleksandra; Seidler, Tomasz; Moskal, Paulina; Gryl, Marlena","Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective.","IUCrJ","2025","12","3","","","10.1107/S2052252525002210","","x-ray","0.71073","MoKα","","0.0791","0.0604","","","0.1631","0.1735","","","","","","0.995","","","","has coordinates","299443","2025-04-29","02:05:15",""
"1574547","9.1192","0.0001","19.0384","0.0002","10.0172","0.0001","90","","95.648","0.001","90","","1730.69","0.03","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","tyramine barbitalate water ⟨ 1:1:1^+^/1^-^/1 ⟩","2-(4-Hydroxyphenyl)ethanaminium 5,5-diethyl-2,4,6-trioxotetrahydro-2<i>H</i>-pyrimidin-1-ide monohydrate","","- C32 H47 N5 O7 -","- C32 H47 N5 O7 -","- C64 H94 N10 O14 -","2","1","","Grabowski, Szymon; Nowakowska, Klaudia; Butkiewicz, Helena; Hoser, Anna; Wesełucha-Birczyńska, Aleksandra; Seidler, Tomasz; Moskal, Paulina; Gryl, Marlena","Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective.","IUCrJ","2025","12","3","","","10.1107/S2052252525002210","","x-ray","1.54184","CuKα","","0.0417","0.0404","","","0.1155","0.1172","","","","","","1.059","","","","has coordinates","299443","2025-04-29","02:05:17",""
"1574548","17.23677","0.00006","17.23677","0.00006","62.5877","0.0003","90","","90","","120","","16103.9","0.11","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","'tyraminium barbitalate acetonitrile ⟨1^+^/1^-^/1⟩\́","2-(4-Hydroxyphenyl)ethanaminium 5,5-diethyl-2,4,6-trioxotetrahydro-2<i>H</i>-pyrimidin-1-ide monohydrate","","- C16.67 H24 N3.33 O4 -","- C16.6667 H24.0002 N3.33333 O4 -","- C600 H864.007 N120 O144 -","36","1","","Grabowski, Szymon; Nowakowska, Klaudia; Butkiewicz, Helena; Hoser, Anna; Wesełucha-Birczyńska, Aleksandra; Seidler, Tomasz; Moskal, Paulina; Gryl, Marlena","Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective.","IUCrJ","2025","12","3","","","10.1107/S2052252525002210","","x-ray","1.54184","CuKα","","0.0637","0.0635","","","0.1484","0.1484","","","","","","0.961","","","","has coordinates,has disorder","299443","2025-04-29","02:05:17",""
"1574549","6.5249","0.0006","7.7533","0.0009","11.3333","0.001","90","","103.142","0.003","90","","558.33","0.1","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C26 H28 O6 -","2","1","","Fan, Zhoulong; Cai, Xinpei; Sheng, Tao; Yu, Jin-Quan","Synthesis of bicyclo[3.2.0]heptane lactones via a ligand-enabled Pd-catalyzed C(sp3)–H activation cascade","Chemical Science","2025","16","21","9436","9440","10.1039/D5SC00711A","","x-ray","0.71073","MoKα","K-L~3~","0.0591","0.0503","","","0.1321","0.1387","","","","","","1.049","","","","has coordinates,has disorder","300663","2025-07-06","14:45:12",""
"1574550","8.1406","0.0005","5.8085","0.0003","19.8674","0.0011","90","","92.646","0.002","90","","938.42","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F O2 -","- C12 H11 F O2 -","- C48 H44 F4 O8 -","4","1","","Fan, Zhoulong; Cai, Xinpei; Sheng, Tao; Yu, Jin-Quan","Synthesis of bicyclo[3.2.0]heptane lactones via a ligand-enabled Pd-catalyzed C(sp3)–H activation cascade","Chemical Science","2025","16","21","9436","9440","10.1039/D5SC00711A","","x-ray","0.71073","MoKα","K-L~3~","0.0419","0.0353","","","0.0852","0.0897","","","","","","1.041","","","","has coordinates","300663","2025-07-06","14:45:13",""
"1574551","10.742","0.003","19.392","0.006","24.568","0.005","112.731","0.013","90.393","0.009","102.666","0.01","4581","2","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H54 O10 P2 S2 -","- C47 H54 O10 P2 S2 -","- C188 H216 O40 P8 S8 -","4","2","","Gu, Haoran; Tong, Yao; Xu, Hongli; Wang, Cheng; Xu, Bowei; Geng, Dongling; Bu, Laju; Ye, Long; Deng, Yunfeng; Geng, Yanhou","A cathode interlayer based on an indandione-terminated quinoidal compound enables 19% efficiency in binary organic solar cells.","Materials horizons","2025","12","14","5380","5387","10.1039/d5mh00536a","","","1.34139","GaKα","","0.2306","0.164","","","0.338","0.3736","","","","","","1.11","","","","has coordinates,has disorder","301645","2025-08-05","22:35:39",""
"1574552","5.4485","0.0013","20.347","0.005","7.486","0.0017","90","","102.123","0.004","90","","811.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Chloropropiophenone","3-Chloro-1-phenylpropan-1-one","","- C9 H9 Cl O -","- C9 H9 Cl O -","- C36 H36 Cl4 O4 -","4","1","BT4169","Sonneck, Marcel; Spannenberg, Anke; Wohlrab, Sebastian; Peppel, Tim","3-Chloropropiophenone","IUCrData","2025","10","4","x250349","","10.1107/S2414314625003499","","","0.71073","MoKα","","0.0505","0.038","","","0.0895","0.0953","","","","","","1.077","","","","has coordinates","300370","2025-07-05","10:15:21",""
"1574553","9.43","0.003","9.489","0.002","21.189","0.005","90","","93.651","0.018","90","","1892.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Br N2 O2 -","- C21 H23 Br N2 O2 -","- C84 H92 Br4 N8 O8 -","4","1","","Casselman, Tyler D.; Madhusudhanan, Mithun C.; Mai, Binh Khanh; Liu, Peng; Stoltz, Brian M.","Potassium tert-butoxide mediated stereoselective/direct Mannich reaction of α-substituted-γ-lactams with in situ generated aryl N-silyl imines","Chemical Science","2025","16","22","9863","9871","10.1039/D4SC06391K","","","0.71073","MoKα","","0.0342","0.0267","","","0.068","0.071","","","","","","1.019","","","","has coordinates","300553","2025-07-06","13:51:10",""
"1574554","11.85","0.0011","49.858","0.004","8.0771","0.001","90","","90.083","0.007","90","","4772.1","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Br N2 O2 -","- C27 H27 Br N2 O2 -","- C216 H216 Br8 N16 O16 -","8","2","","Casselman, Tyler D.; Madhusudhanan, Mithun C.; Mai, Binh Khanh; Liu, Peng; Stoltz, Brian M.","Potassium tert-butoxide mediated stereoselective/direct Mannich reaction of α-substituted-γ-lactams with in situ generated aryl N-silyl imines","Chemical Science","2025","16","22","9863","9871","10.1039/D4SC06391K","","","1.54178","CuKα","","0.0732","0.0679","","","0.1654","0.1686","","","","","","1.149","","","","has coordinates","300553","2025-07-06","13:51:11",""
"1574555","19.64","0.005","6.144","0.0016","17.135","0.005","90","","94.127","0.006","90","","2062.3","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C104 H104 N8 O8 -","4","1","","Casselman, Tyler D.; Madhusudhanan, Mithun C.; Mai, Binh Khanh; Liu, Peng; Stoltz, Brian M.","Potassium tert-butoxide mediated stereoselective/direct Mannich reaction of α-substituted-γ-lactams with in situ generated aryl N-silyl imines","Chemical Science","2025","16","22","9863","9871","10.1039/D4SC06391K","","","0.71073","MoKα","","0.0501","0.04","","","0.1106","0.1175","","","","","","1.042","","","","has coordinates","300553","2025-07-06","13:51:19",""
"1574556","11.3555","0.0004","9.1502","0.0003","7.1692","0.0004","90","","99.648","0.005","90","","734.38","0.06","293","2","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H9 N3 O6 Se -","- C14 H9 N3 O6 Se -","- C28 H18 N6 O12 Se2 -","2","0.5","","Zhang, Yu; Sun, Xiaotian; Wang, Weizhou","Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds","CrystEngComm","2025","27","21","3439","3443","10.1039/D5CE00262A","","x-ray","0.71073","MoKα","","0.0504","0.0384","","","0.0772","0.0829","","","","","","1.0756","","","","has coordinates","300736","2025-07-06","15:14:27",""
"1574557","3.8144","0.0011","22.357","0.007","15.964","0.005","90","","93.581","0.009","90","","1358.7","0.7","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N2 O4 S Se -","- C12 H8 N2 O4 S Se -","- C48 H32 N8 O16 S4 Se4 -","4","1","","Zhang, Yu; Sun, Xiaotian; Wang, Weizhou","Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds","CrystEngComm","2025","27","21","3439","3443","10.1039/D5CE00262A","","x-ray","0.71073","MoKα","","0.0648","0.0441","","","0.0738","0.0791","","","","","","1.106","","","","has coordinates","300736","2025-07-06","15:14:27",""
"1574558","11.154","0.003","9.184","0.002","7.3865","0.0019","90","","99.177","0.009","90","","747","0.3","300","","300","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H9 Br N2 O4 Se -","- C14 H9 Br N2 O4 Se -","- C28 H18 Br2 N4 O8 Se2 -","2","0.5","","Zhang, Yu; Sun, Xiaotian; Wang, Weizhou","Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds","CrystEngComm","2025","27","21","3439","3443","10.1039/D5CE00262A","","x-ray","0.71073","MoKα","","0.086","0.0515","","","0.1006","0.1144","","","","","","1.027","","","","has coordinates","300736","2025-07-06","15:14:27",""
"1574559","6.8417","0.0007","12.3348","0.0011","8.5209","0.0007","90","","102.207","0.004","90","","702.83","0.11","300","","300","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H11 N3 O4 Se -","- C14 H11 N3 O4 Se -","- C28 H22 N6 O8 Se2 -","2","0.5","","Zhang, Yu; Sun, Xiaotian; Wang, Weizhou","Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds","CrystEngComm","2025","27","21","3439","3443","10.1039/D5CE00262A","","x-ray","1.54178","CuKα","","0.0897","0.0821","","","0.2303","0.2443","","","","","","1.086","","","","has coordinates","300736","2025-07-06","15:14:27",""
"1574560","7.4596","0.0004","12.3445","0.0006","8.6525","0.0004","90","","112.155","0.006","90","","737.94","0.07","293","2","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H12 N2 O4 Se -","- C15 H12 N2 O4 Se -","- C30 H24 N4 O8 Se2 -","2","0.5","","Zhang, Yu; Sun, Xiaotian; Wang, Weizhou","Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds","CrystEngComm","2025","27","21","3439","3443","10.1039/D5CE00262A","","x-ray","0.71073","MoKα","","0.0451","0.0346","","","0.0669","0.0702","","","","","","1.0417","","","","has coordinates,has disorder","300736","2025-07-06","15:14:27",""
"1574561","3.8992","0.0001","37.6399","0.0013","7.7471","0.0002","90","","95.702","0.003","90","","1131.38","0.06","293","","293","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C11 H6 Br N O4 Se0.5 -","- C11 H7 Br N O4 Se0.5 -","- C44 H28 Br4 N4 O16 Se2 -","4","1","","Zhang, Yu; Sun, Xiaotian; Wang, Weizhou","Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds","CrystEngComm","2025","27","21","3439","3443","10.1039/D5CE00262A","","x-ray","0.71073","MoKα","","0.0702","0.0468","","","0.0946","0.1024","","","","","","1.059","","","","has coordinates","300736","2025-07-06","15:14:27",""
"1574562","14.6695","0.0005","8.4232","0.0002","19.7536","0.0006","90","","108.105","0.004","90","","2319.99","0.13","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl N2 O7 -","- C24 H25 Cl N2 O7 -","- C96 H100 Cl4 N8 O28 -","4","1","","Hirayama, Yuto; Ito, Akitaka; Ochi, Rika","Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety","CrystEngComm","2025","27","20","3214","3218","10.1039/D5CE00252D","","x-ray","0.71073","MoKα","","0.0532","0.0384","","","0.0933","0.1","","","","","","1.055","","","","has coordinates","300718","2025-07-06","15:09:25",""
"1574563","12.0536","0.0004","14.4733","0.0005","17.464","0.0005","90.685","0.002","105.563","0.002","108.209","0.003","2772.69","0.17","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C49.75 H61.3 Cl3 K N4 O18.15 -","- C49.75 H61.3 Cl3 K N4 O18.15 -","- C99.5 H122.6 Cl6 K2 N8 O36.3 -","2","1","","Hirayama, Yuto; Ito, Akitaka; Ochi, Rika","Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety","CrystEngComm","2025","27","20","3214","3218","10.1039/D5CE00252D","","x-ray","0.71073","MoKα","","0.0941","0.0689","","","0.1897","0.203","","","","","","1.043","","","","has coordinates,has disorder","300718","2025-07-06","15:09:25",""
"1574564","15.1444","0.0004","23.9026","0.0005","15.8158","0.0006","90","","103.663","0.003","90","","5563.2","0.3","103.15","","103.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 Cl3 K N4 O19.6 -","- C48 H56 Cl3 K N4 O19.6 -","- C192 H224 Cl12 K4 N16 O78.4 -","4","1","","Hirayama, Yuto; Ito, Akitaka; Ochi, Rika","Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety","CrystEngComm","2025","27","20","3214","3218","10.1039/D5CE00252D","","x-ray","0.71073","MoKα","","0.0845","0.0549","","","0.1388","0.1561","","","","","","1.022","","","","has coordinates,has disorder","300718","2025-07-06","15:09:25",""
"1574565","7.294","0.0003","7.2975","0.0003","11.5957","0.0005","100.092","0.0015","95.3125","0.0014","118.993","0.0013","520.1","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H24 N6 O7 S2 -","- C14 H24 N6 O7 S2 -","- C14 H24 N6 O7 S2 -","1","0.5","","Spencer, Rochelle B.; Yusov, Anna; Dillon, Alexandra M.; Tiwari, Akash; Arteaga, Oriol; Sburlati, Sophia; Whittaker, St John; Wu, Wantong; Chen, Sixian; Shtukenberg, Alexander G.; Ward, Michael D.; Kahr, Bart; Lee, Stephanie S.","Guest removal from ring-banded guanidinium organosulfonate hydrogen-bonded frameworks.","Nanoscale","2025","17","22","13727","13736","10.1039/d5nr00467e","","x-ray","0.71073","MoKα","","0.0356","0.0325","","","0.0924","0.0946","","","","","","1.085","","","","has coordinates,has disorder","301023","2025-07-06","17:24:35",""
"1574566","16.67","0.03","6.012","0.009","40.37","0.07","90","","91.8","1.1","90","","4044","12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","LLDDLL peptoid hexamer","","- C35 H57 N9 O10 -","- C35 H55 N9 O10 -","- C140 H220 N36 O40 -","4","2","","Morimoto, Jumpei; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Nakamuro, Takayuki; Takaba, Kiyofumi; Maki-Yonekura, Saori; Umezawa, Koji; Miyanishi, Koichiro; Fukuda, Yasuhiro; Watanabe, Takumu; Suga, Mayuko; Inayoshi, Ayumi; Yoshida, Takuya; Mizukami, Wataru; Takeuchi, Koh; Yonekura, Koji; Nakamura, Eiichi; Sando, Shinsuke","Bottom-up design of peptide shapes in water using oligomers of N-methyl-l/d-alanine","Chemical Science","2025","16","23","10512","10522","10.1039/D5SC01483B","","","0.8267","synchrotron","","0.1223","0.1069","","","0.3155","0.3311","","","","","","1.884","","","","has coordinates","300656","2025-07-06","14:42:26",""
"1574567","6.4996","0.0001","10.573","0.0001","12.7837","0.0002","90","","93.148","0.001","90","","877.17","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H27 N3 O4 -","- C15 H27 N3 O4 -","- C30 H54 N6 O8 -","2","1","","Morimoto, Jumpei; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Nakamuro, Takayuki; Takaba, Kiyofumi; Maki-Yonekura, Saori; Umezawa, Koji; Miyanishi, Koichiro; Fukuda, Yasuhiro; Watanabe, Takumu; Suga, Mayuko; Inayoshi, Ayumi; Yoshida, Takuya; Mizukami, Wataru; Takeuchi, Koh; Yonekura, Koji; Nakamura, Eiichi; Sando, Shinsuke","Bottom-up design of peptide shapes in water using oligomers of N-methyl-l/d-alanine","Chemical Science","2025","16","23","10512","10522","10.1039/D5SC01483B","","","1.54184","CuKα","","0.026","0.0257","","","0.0678","0.068","","","","","","1.065","","","","has coordinates,has disorder","300656","2025-07-06","14:42:27",""
"1574568","6.3004","0.0003","12.6013","0.0008","31.7505","0.0017","90","","90","","90","","2520.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H34 N4 O5 -","- C19 H34 N4 O5 -","- C76 H136 N16 O20 -","4","1","","Morimoto, Jumpei; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Nakamuro, Takayuki; Takaba, Kiyofumi; Maki-Yonekura, Saori; Umezawa, Koji; Miyanishi, Koichiro; Fukuda, Yasuhiro; Watanabe, Takumu; Suga, Mayuko; Inayoshi, Ayumi; Yoshida, Takuya; Mizukami, Wataru; Takeuchi, Koh; Yonekura, Koji; Nakamura, Eiichi; Sando, Shinsuke","Bottom-up design of peptide shapes in water using oligomers of N-methyl-l/d-alanine","Chemical Science","2025","16","23","10512","10522","10.1039/D5SC01483B","","","1.54184","CuKα","","0.0798","0.072","","","0.2181","0.2267","","","","","","1.093","","","","has coordinates","300656","2025-07-06","14:42:27",""
"1574569","5.9846","0.0001","22.8259","0.0003","31.5688","0.0004","90","","90","","90","","4312.42","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H68 N8 O10 -","- C38 H68.5 N8 O10.25 -","- C152 H274 N32 O41 -","4","1","","Morimoto, Jumpei; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Nakamuro, Takayuki; Takaba, Kiyofumi; Maki-Yonekura, Saori; Umezawa, Koji; Miyanishi, Koichiro; Fukuda, Yasuhiro; Watanabe, Takumu; Suga, Mayuko; Inayoshi, Ayumi; Yoshida, Takuya; Mizukami, Wataru; Takeuchi, Koh; Yonekura, Koji; Nakamura, Eiichi; Sando, Shinsuke","Bottom-up design of peptide shapes in water using oligomers of N-methyl-l/d-alanine","Chemical Science","2025","16","23","10512","10522","10.1039/D5SC01483B","","","1.54184","CuKα","","0.0422","0.039","","","0.1021","0.104","","","","","","1.045","","","","has coordinates","300656","2025-07-06","14:42:27",""
"1574570","11.4744","0.0009","11.478","0.0009","12.5186","0.001","90","","103.243","0.001","90","","1604.9","0.2","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Ammonium copper bromine formate","","- C4 H8 Br4 Cu5 N O8 -","- C4 H8 Br4 Cu5 N O8 -","- C16 H32 Br16 Cu20 N4 O32 -","4","0.5","","Abusa, Yao; Greenfield, Joshua; Viswanathan, Gayatri; Goswami, Smitakshi; Ross, Emma; Yox, Philip; Oppong, Richeal; Ojo, Iyanu; Liu, Jifeng; Ozarowski, Andrew; Kovnir, Kirill","A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks","Chemical Science","2025","16","24","11027","11038","10.1039/D5SC00548E","","","0.71073","MoKα","","0.0426","0.0233","","","0.0489","0.0561","","","","","","1.063","","","","has coordinates","300547","2025-07-06","13:47:35",""
"1574571","11.3847","0.0007","11.3964","0.0008","12.3227","0.0009","90","","103.363","0.003","90","","1555.52","0.19","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Potassium copper bromine formate","Potassium copper bromine formate","","- C4 H4 Br4 Cu5 K O8 -","- C4 H4 Br4 Cu5 K O8 -","- C16 H16 Br16 Cu20 K4 O32 -","4","0.5","","Abusa, Yao; Greenfield, Joshua; Viswanathan, Gayatri; Goswami, Smitakshi; Ross, Emma; Yox, Philip; Oppong, Richeal; Ojo, Iyanu; Liu, Jifeng; Ozarowski, Andrew; Kovnir, Kirill","A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks","Chemical Science","2025","16","24","11027","11038","10.1039/D5SC00548E","","","0.71073","MoKα","","0.0348","0.0253","","","0.0676","0.0696","","","","","","1.084","","","","has coordinates","300547","2025-07-06","13:47:36",""
"1574572","11.4433","0.0012","11.455","0.0013","12.605","0.0015","90","","103.207","0.006","90","","1608.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Rubidium copper bromine formate","","- C8 H8 Br8 Cu10 O16 Rb2 -","- C8 H8 Br8 Cu10 O16 Rb2 -","- C16 H16 Br16 Cu20 O32 Rb4 -","2","0.25","","Abusa, Yao; Greenfield, Joshua; Viswanathan, Gayatri; Goswami, Smitakshi; Ross, Emma; Yox, Philip; Oppong, Richeal; Ojo, Iyanu; Liu, Jifeng; Ozarowski, Andrew; Kovnir, Kirill","A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks","Chemical Science","2025","16","24","11027","11038","10.1039/D5SC00548E","","","0.71073","MoKα","","0.031","0.0259","","","0.0635","0.0658","","","","","","1.182","","","","has coordinates","300547","2025-07-06","13:47:36",""
"1574573","12.1357","0.0007","11.1746","0.0005","11.1684","0.0006","90","","103.214","0.002","90","","1474.46","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Sodium copper bromine formate","","","- C4 H4 Br4 Cu5 Na O8 -","- C4 H4 Br4 Cu5 Na O8 -","- C16 H16 Br16 Cu20 Na4 O32 -","4","1","","Abusa, Yao; Greenfield, Joshua; Viswanathan, Gayatri; Goswami, Smitakshi; Ross, Emma; Yox, Philip; Oppong, Richeal; Ojo, Iyanu; Liu, Jifeng; Ozarowski, Andrew; Kovnir, Kirill","A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks","Chemical Science","2025","16","24","11027","11038","10.1039/D5SC00548E","","","0.71073","MoKα","","0.0358","0.0205","","","0.055","0.0637","","","","","","1.04","","","","has coordinates","300547","2025-07-06","13:47:36",""
"1574574","9.0736","0.0012","14.8909","0.0018","19.28","0.002","90","","90","","90","","2605","0.5","150.01","0.1","150.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H26 N6 -","- C32 H26 N6 -","- C128 H104 N24 -","4","0.5","","Seinfeld, Mathilde; Rouillon, Jean; Rullan, Raphael; Jeanneau, Erwann; Steinmann, Stephan N.; Andraud, Chantal; Le Bahers, Tangui; Monnereau, Cyrille","Stereoselective synthesis of heterocyclic tetraphenylethylene analogues with configuration-dependent solid-state luminescence","Chemical Science","2025","16","23","10523","10531","10.1039/D4SC08333D","","x-ray","0.71073","MoKα","","0.1019","0.0669","","","0.1605","0.2028","","","","","","1.088","","","","has coordinates","300655","2025-07-06","14:42:11",""
"1574575","7.7794","0.0001","9.85","0.0001","18.6746","0.0002","78.986","0.001","81.955","0.001","71.468","0.001","1326.95","0.03","99.9","0.2","99.9","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C68 H68 N8 -","- C68 H68 N8 -","- C68 H68 N8 -","1","0.5","","Seinfeld, Mathilde; Rouillon, Jean; Rullan, Raphael; Jeanneau, Erwann; Steinmann, Stephan N.; Andraud, Chantal; Le Bahers, Tangui; Monnereau, Cyrille","Stereoselective synthesis of heterocyclic tetraphenylethylene analogues with configuration-dependent solid-state luminescence","Chemical Science","2025","16","23","10523","10531","10.1039/D4SC08333D","","x-ray","1.54184","CuKα","","0.0481","0.0461","","","0.1206","0.1223","","","","","","1.041","","","","has coordinates","300655","2025-07-06","14:42:12",""
"1574576","72.2732","0.0007","9.2167","0.0001","24.9319","0.0002","90","","92.577","0.001","90","","16590.9","0.3","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C42 H44 N6 O4 -","- C42 H44 N6 O4 -","- C672 H704 N96 O64 -","16","4","","Li, Zhipeng; Zhang, Jingyang; Zhu, Wanmeng; Wang, Tianyi; Tang, Yefeng; Wang, Jian","N-Heterocyclic carbene-catalyzed enantioselective (dynamic) kinetic resolution for the assembly of inherently chiral macrocycles","Chemical Science","2025","16","24","11021","11026","10.1039/D5SC01773D","","x-ray","1.54184","CuKα","","0.0975","0.071","","","0.1787","0.1936","","","","","","1.037","","","","has coordinates,has disorder","300537","2025-07-06","13:44:00",""
"1574577","13.6732","0.0009","15.7373","0.0011","17.8565","0.0012","91.328","0.002","91.152","0.002","102.706","0.002","3746","0.4","112","","112","","","","","","","","","9","P -1","-P 1","2","","","","- C83 H76 Cl3 F6 N2 O6 P2 Rh2 S2 -","- C83 H76 Cl3 F6 N2 O6 P2 Rh2 S2 -","- C166 H152 Cl6 F12 N4 O12 P4 Rh4 S4 -","2","1","","Litle, Elishua D.; Bedajna, Shantabh; Gabbaï, François P.","L/Z-ligand type amphoterism of an acridinium unit","Chemical Science","2025","16","24","10852","10856","10.1039/D5SC00965K","","","0.71073","MoKα","","0.0829","0.061","","","0.1365","0.1468","","","","","","1.067","","","","has coordinates","300544","2025-07-06","13:46:45",""
"1574578","27.264","0.004","9.5891","0.0014","22.664","0.003","90","","93.997","0.006","90","","5910.8","1.5","110","","110","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C33 H25 Cl F3 N O3 P Rh S -","- C33 H25 Cl F3 N O3 P Rh S -","- C264 H200 Cl8 F24 N8 O24 P8 Rh8 S8 -","8","1","","Litle, Elishua D.; Bedajna, Shantabh; Gabbaï, François P.","L/Z-ligand type amphoterism of an acridinium unit","Chemical Science","2025","16","24","10852","10856","10.1039/D5SC00965K","","","0.71073","MoKα","","0.0704","0.0629","","","0.1624","0.1687","","","","","","1.157","","","","has coordinates","300544","2025-07-06","13:46:45",""
"1574579","13.056","0.0009","12.3746","0.0009","25.291","0.002","90","","102.588","0.002","90","","3987.9","0.5","110","","110","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C41 H41 Cl F3 N3 O4 P Rh S -","- C41 H41 Cl F3 N3 O4 P Rh S -","- C164 H164 Cl4 F12 N12 O16 P4 Rh4 S4 -","4","1","","Litle, Elishua D.; Bedajna, Shantabh; Gabbaï, François P.","L/Z-ligand type amphoterism of an acridinium unit","Chemical Science","2025","16","24","10852","10856","10.1039/D5SC00965K","","","0.71073","MoKα","","0.0977","0.0782","","","0.1925","0.2049","","","","","","1.144","","","","has coordinates","300544","2025-07-06","13:46:45",""
"1574580","9.559","0.0005","14.5429","0.0008","14.775","0.0008","88.144","0.002","74.108","0.002","79.653","0.002","1943.02","0.18","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H31 N30 Na2 O13 Pu -","- C18 H31 N30 Na2 O13 Pu -","- C36 H62 N60 Na4 O26 Pu2 -","2","1","","Bai, Zhuanling; Martelles, Madeline C.; Sperling, Joseph M.; Albrecht, Thomas E.","Unveiling the covalency of versatile Pu(iii)-N bonds in a unique plutonium(iii) complex","Chemical Science","2025","16","23","10424","10431","10.1039/D5SC01808K","","","0.71073","MoKα","","0.065","0.056","","","0.1137","0.1172","","","","","","1.18","","","","has coordinates","300659","2025-07-06","14:43:20",""
"1574581","20.0184","0.0006","21.3728","0.0007","22.6375","0.0008","83.5455","0.0017","74.0558","0.0017","79.746","0.0017","9143.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H72 Cl N8 O3 Re -","- C91 H72 Cl N8 O3 Re -","- C364 H288 Cl4 N32 O12 Re4 -","4","2","","Varghese, Eldhose V.; Liu, Yi-Hung; Chen, Hsing-Yin; Li, Chien-Hung; Chen, Chia-Hsiang","Rhenium coordination-induced conformational modulation in nitrogen-doped nanographene","Chemical Science","2025","16","22","9966","9977","10.1039/D5SC02827B","","","1.54178","CuKα","","0.1458","0.0761","","","0.2091","0.2756","","","","","","0.868","","","","has coordinates,has disorder","300555","2025-07-06","13:54:02",""
"1574582","24.578","0.0007","35.7337","0.0009","21.4113","0.0006","90","","102.624","0.0014","90","","18350.2","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C98 H88 Cl3 N8 O3 Re -","- C98 H88 Cl3 N8 O3 Re -","- C784 H704 Cl24 N64 O24 Re8 -","8","1","","Varghese, Eldhose V.; Liu, Yi-Hung; Chen, Hsing-Yin; Li, Chien-Hung; Chen, Chia-Hsiang","Rhenium coordination-induced conformational modulation in nitrogen-doped nanographene","Chemical Science","2025","16","22","9966","9977","10.1039/D5SC02827B","","","1.54178","CuKα","","0.0967","0.062","","","0.1594","0.1799","","","","","","1.021","","","","has coordinates,has disorder","300555","2025-07-06","13:54:03",""
"1574583","38.3843","0.0011","7.1312","0.0002","33.4701","0.0007","90","","97.967","0.003","90","","9073.2","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H47 Br2 N3 O4 -","- C53 H47 Br2.0005 N3 O4 -","- C424 H376 Br16.004 N24 O32 -","8","1","","Zhou, Qian; Feng, Mingxia; Shi, Caihong; Qian, Mengqiu; Ma, Xiurong; He, Runying; Meng, Xian; Shi, Yonggang; Cao, Qiue; Zheng, Liyan","Multiple stimulus modulated organic crystal polymorphs with tunable luminescence behavior","Chemical Science","2025","16","22","9988","9997","10.1039/D5SC01503K","","x-ray","1.54184","CuKα","","0.1165","0.0909","","","0.2569","0.2806","","","","","","1.041","","","","has coordinates,has disorder","300559","2025-07-06","13:57:14",""
"1574584","38.4139","0.0017","7.1583","0.0003","33.7745","0.0015","90","","98.265","0.002","90","","9190.8","0.7","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H37 Br2 N3 -","- C52 H37 Br2.0001 N3 -","- C416 H296 Br16.0008 N24 -","8","1","","Zhou, Qian; Feng, Mingxia; Shi, Caihong; Qian, Mengqiu; Ma, Xiurong; He, Runying; Meng, Xian; Shi, Yonggang; Cao, Qiue; Zheng, Liyan","Multiple stimulus modulated organic crystal polymorphs with tunable luminescence behavior","Chemical Science","2025","16","22","9988","9997","10.1039/D5SC01503K","","","1.34139","GaKα","","0.1274","0.0849","","","0.1707","0.1882","","","","","","1.054","","","","has coordinates,has disorder","300559","2025-07-06","13:57:15",""
"1574585","38.581","0.008","7.1035","0.0015","33.75","0.008","90","","98.022","0.007","90","","9159","3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H37 Br2 N3 -","- C52 H37 Br2.0067 N3 -","- C416 H296 Br16.0536 N24 -","8","1","","Zhou, Qian; Feng, Mingxia; Shi, Caihong; Qian, Mengqiu; Ma, Xiurong; He, Runying; Meng, Xian; Shi, Yonggang; Cao, Qiue; Zheng, Liyan","Multiple stimulus modulated organic crystal polymorphs with tunable luminescence behavior","Chemical Science","2025","16","22","9988","9997","10.1039/D5SC01503K","","","1.34139","GaKα","","0.1549","0.0895","","","0.2332","0.271","","","","","","1.128","","","","has coordinates,has disorder","300559","2025-07-06","13:57:16",""
"1574586","13.1747","0.0015","15.032","0.0017","15.0828","0.0018","87.387","0.003","80.397","0.003","77.998","0.003","2880.6","0.6","187","2","187","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H56 Cl N6 Pd2 -","- C72 H54 N6 Pd2 -","- C144 H108 N12 Pd4 -","2","1","","Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming","3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application","Chemical Science","2025","16","24","10701","10713","10.1039/D4SC08612K","","","0.71073","MoKα","","0.1466","0.0581","","","0.1077","0.15","","","","","","1.083","","","","has coordinates,has disorder","300550","2025-07-06","13:48:21",""
"1574587","17.465","0.014","19.39","0.013","20.394","0.017","90","","97.86","0.02","90","","6841","9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H98 N6 Pt2 -","- C68 H70 N6 Pt2 -","- C272 H280 N24 Pt8 -","4","1","","Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming","3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application","Chemical Science","2025","16","24","10701","10713","10.1039/D4SC08612K","","","0.71073","MoKα","","0.0935","0.0445","","","0.0822","0.0985","","","","","","1.012","","","","has coordinates,has disorder","300550","2025-07-06","13:48:22",""
"1574588","19.9715","0.0011","17.5055","0.001","13.1183","0.0008","90","","109.737","0.003","90","","4316.9","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 N10 Pd2 -","- C52 H42 N10 Pd2 -","- C208 H168 N40 Pd8 -","4","0.5","","Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming","3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application","Chemical Science","2025","16","24","10701","10713","10.1039/D4SC08612K","","","1.34138","GaKα","","0.0596","0.0428","","","0.106","0.1179","","","","","","1.094","","","","has coordinates","300550","2025-07-06","13:48:31",""
"1574589","12.4062","0.0018","12.6181","0.0018","19.276","0.003","102.182","0.004","95.522","0.004","118.581","0.003","2520.9","0.7","170","2","170","2","","","","","","","","5","P 1","P 1","1","","","","- C59 H54 Cl2 N6 Pd2 -","- C53 H40 Cl2 N6 Pd2 -","- C106 H80 Cl4 N12 Pd4 -","2","2","","Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming","3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application","Chemical Science","2025","16","24","10701","10713","10.1039/D4SC08612K","","","0.71073","MoKα","","0.1496","0.0545","","","0.1021","0.13","","","","","","0.977","","","","has coordinates","300550","2025-07-06","13:48:33",""
"1574590","28.787","0.0019","14.0679","0.0009","18.2253","0.0014","90","","125.365","0.002","90","","6018.9","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H72 Cl2 N6 Pd2 -","- C69 H72 Cl2 N6 Pd2 -","- C276 H288 Cl8 N24 Pd8 -","4","0.5","","Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming","3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application","Chemical Science","2025","16","24","10701","10713","10.1039/D4SC08612K","","","0.71073","MoKα","","0.1622","0.0727","","","0.1517","0.1829","","","","","","1.055","","","","has coordinates","300550","2025-07-06","13:48:41",""
"1574591","20.022","0.003","13.1386","0.0019","17.551","0.002","90","","114.783","0.004","90","","4191.8","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H43 N9 Pd2 -","- C48 H43 N9 Pd2 -","- C192 H172 N36 Pd8 -","4","1","","Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming","3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application","Chemical Science","2025","16","24","10701","10713","10.1039/D4SC08612K","","","0.71073","MoKα","","0.0437","0.0324","","","0.0699","0.0739","","","","","","1.042","","","","has coordinates","300550","2025-07-06","13:48:43",""
"1574592","6.4618","0.0002","7.8144","0.0002","22.3901","0.0006","90","","90","","90","","1130.59","0.05","299","2","299","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 -","- C16 H12 -","- C64 H48 -","4","1","","Bello-García, Jesús; Varela, Jesús A.; Saá, Carlos","Transition metal-free vs. metal-catalyzed cyclotrimerization of didehydro[8]annulenes (COTynes): a complex pathway to non-planar PAHs – Dewar benzenes vs. benzotri[8]annulenes","Chemical Science","2025","16","24","10874","10880","10.1039/D5SC03035H","","x-ray","1.54178","CuKα","","0.035","0.031","","","0.0762","0.0802","","","","","","1.093","","","","has coordinates","300536","2025-07-06","13:43:45",""
"1574593","9.4244","0.0004","9.6598","0.0005","10.1931","0.0005","75.257","0.005","82.012","0.004","67.21","0.004","826.5","0.07","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C24 H18 -","- C24 H18 -","- C48 H36 -","2","1","","Bello-García, Jesús; Varela, Jesús A.; Saá, Carlos","Transition metal-free vs. metal-catalyzed cyclotrimerization of didehydro[8]annulenes (COTynes): a complex pathway to non-planar PAHs – Dewar benzenes vs. benzotri[8]annulenes","Chemical Science","2025","16","24","10874","10880","10.1039/D5SC03035H","","x-ray","1.54184","CuKα","","0.0502","0.0407","","","0.1026","0.1079","","","","","","1.058","","","","has coordinates","300536","2025-07-06","13:43:46",""
"1574594","13.0765","0.0008","17.2821","0.0011","30.4781","0.0019","75.352","0.002","81.6","0.002","71.934","0.002","6318.2","0.7","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C134 H134 Cl6 N28 -","- C132 H133 N28 -","- C264 H266 N56 -","2","1","","Tang, Hua; Lu, Yuyang; Qian, Yongwei; Ge, Chenqi; Liu, Jiyong; Chen, Hongliang; Li, Hao","A conformationally adaptable tetrahedral cage with different guest encapsulation models","Chemical Science","2025","16","24","10867","10873","10.1039/D5SC01474C","","x-ray","1.34139","GaKα","","0.1713","0.0922","","","0.2715","0.3302","","","","","","1.006","","","","has coordinates","300541","2025-07-06","13:45:24",""
"1574595","32.4774","0.0007","32.4774","0.0007","32.4774","0.0007","90","","90","","90","","34256.6","1.3","170","","170","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C169 H217 Cl10.02 N29 O5 -","- C136 H143.999 Cl1.0148 N29 -","- C1088 H1151.99 Cl8.1184 N232 -","8","0.0833333","","Tang, Hua; Lu, Yuyang; Qian, Yongwei; Ge, Chenqi; Liu, Jiyong; Chen, Hongliang; Li, Hao","A conformationally adaptable tetrahedral cage with different guest encapsulation models","Chemical Science","2025","16","24","10867","10873","10.1039/D5SC01474C","","x-ray","1.34139","GaKα","","0.1041","0.0888","","","0.296","0.319","","","","","","1.299","","","","has coordinates,has disorder","300541","2025-07-06","13:45:25",""
"1574596","15.9658","0.001","16.1176","0.001","33.451","0.002","81.578","0.002","82.615","0.002","84.009","0.002","8412.3","0.9","170","","170","","","","","","","","","8","P -1","-P 1","2","","","","- C155 H183 Cl3 Cs2 F12 N30 O15 S4 -","- C136 H140 Cs2 F12 N30 O12 S4 -","- C272 H280 Cs4 F24 N60 O24 S8 -","2","1","","Tang, Hua; Lu, Yuyang; Qian, Yongwei; Ge, Chenqi; Liu, Jiyong; Chen, Hongliang; Li, Hao","A conformationally adaptable tetrahedral cage with different guest encapsulation models","Chemical Science","2025","16","24","10867","10873","10.1039/D5SC01474C","","x-ray","1.34139","GaKα","","0.0803","0.0682","","","0.2117","0.2207","","","","","","1.021","","","","has coordinates,has disorder","300541","2025-07-06","13:45:25",""
"1574597","20.1236","0.0005","7.0187","0.0003","12.0117","0.0004","90","","97.82","0.003","90","","1680.77","0.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H19 N3 S -","- C18 H19 N3 S -","- C72 H76 N12 S4 -","4","1","","Liu, Fayu; Guo, Yanqi; Lu, Weidong; Zhao, Xiaowei; Yin, Yanli; Jiang, Zhiyong","Precise construction of spiro stereocenters via enantioselective radical addition through modulating photocatalysis from redox to energy transfer","Chemical Science","2025","16","23","10555","10562","10.1039/D5SC01583A","","x-ray","1.54184","CuKα","","0.0465","0.0419","","","0.1138","0.1186","","","","","","1.071","","","","has coordinates","300660","2025-07-06","14:43:31",""
"1574598","13.1753","0.0017","15.5076","0.0019","12.1845","0.0015","90","","115.425","0.003","90","","2248.4","0.5","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 B2 O4 -","- C22 H34 B2 O4 -","- C88 H136 B8 O16 -","4","1","","Hu, Jiefeng; Zhang, Kun; Wang, Jing; Huang, Mingming; Chen, Shuangru; Shi, Zhuangzhi; Marder, Todd B.","Synthesis of gem-di(boryl)cyclopropanes from non-activated olefins via Mn-photocatalyzed atom transfer radical addition","Chemical Science","2025","16","23","10595","10601","10.1039/D5SC02670A","","","0.71073","MoKα","","0.2089","0.0988","","","0.2314","0.2878","","","","","","1.019","","","","has coordinates,has disorder","300658","2025-07-06","14:43:10",""
"1574599","8.6082","0.0001","11.3392","0.0002","14.3006","0.0003","90","","90","","90","","1395.88","0.04","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","L-6","","- C26 H26 N4 O12 Zn2 -","- C26 H26 N4 O12 Zn2 -","- C52 H52 N8 O24 Zn4 -","2","0.5","","Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian","Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices","Chemical Science","2025","16","24","10742","10749","10.1039/D5SC02334C","","x-ray","1.54184","CuKα","","0.0623","0.0577","","","0.1496","0.1546","","","","","","1.063","","","","has coordinates","300542","2025-07-06","13:45:38",""
"1574600","8.5077","0.0001","11.3704","0.0002","14.5983","0.0002","90","","90","","90","","1412.18","0.04","100","0.15","100","0.15","","","","","","","","5","P 21 21 2","P 2 2ab","18","","D-24","","- C25 H23 N5 O12 Zn2 -","- C25 H23 N5 O12 Zn2 -","- C50 H46 N10 O24 Zn4 -","2","0.5","","Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian","Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices","Chemical Science","2025","16","24","10742","10749","10.1039/D5SC02334C","","x-ray","0.71073","MoKα","","0.1135","0.1053","","","0.2569","0.2611","","","","","","1.164","","","","has coordinates,has disorder","300542","2025-07-06","13:45:39",""
"1574601","8.5192","0.0001","11.39","0.0001","15.0392","0.0001","90","","92.267","0.001","90","","1458.17","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","d-42","","- C26 H24.64 N4 O14 Zn2 -","- C26 H24.64 N4 O14 Zn2 -","- C52 H49.28 N8 O28 Zn4 -","2","1","","Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian","Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices","Chemical Science","2025","16","24","10742","10749","10.1039/D5SC02334C","","x-ray","1.54184","CuKα","","0.054","0.0492","","","0.1111","0.1144","","","","","","1.069","","","","has coordinates,has disorder","300542","2025-07-06","13:45:39",""
"1574602","8.5952","0.0002","11.3099","0.0002","14.1931","0.0003","90","","90","","90","","1379.72","0.05","99.98","0.18","99.98","0.18","","","","","","","","5","P 21 21 2","P 2 2ab","18","","D-6","","- C2.6 H0.05 N0.4 O1.2 Zn0.2 -","- C2.6 H2.4 N0.4 O1.2 Zn0.2 -","- C52 H48 N8 O24 Zn4 -","20","5","","Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian","Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices","Chemical Science","2025","16","24","10742","10749","10.1039/D5SC02334C","","x-ray","0.71073","MoKα","","0.0404","0.0337","","","0.0781","0.0817","","","","","","1.045","","","","has coordinates","300542","2025-07-06","13:45:39",""
"1574603","11.3801","0.0001","8.5624","0.0001","14.6534","0.0001","90","","90","","90","","1427.84","0.02","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","L-24","","- C26 H24 N5 O12 Zn2 -","- C26 H24 N5 O12 Zn2 -","- C52 H48 N10 O24 Zn4 -","2","0.5","","Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian","Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices","Chemical Science","2025","16","24","10742","10749","10.1039/D5SC02334C","","x-ray","1.54184","CuKα","","0.061","0.0598","","","0.1606","0.1617","","","","","","1.153","","","","has coordinates","300542","2025-07-06","13:45:39",""
"1574604","8.5446","0.0001","11.378","0.0001","14.9531","0.0001","90","","92.073","0.001","90","","1452.8","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-42","","- C24 H22 N4 O14 Zn2 -","- C24 H22 N4 O14 Zn2 -","- C48 H44 N8 O28 Zn4 -","2","1","","Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian","Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices","Chemical Science","2025","16","24","10742","10749","10.1039/D5SC02334C","","x-ray","1.54184","CuKα","","0.0557","0.0517","","","0.1532","0.1588","","","","","","1.141","","","","has coordinates","300542","2025-07-06","13:45:39",""
"1574605","16.8358","0.0008","21.2426","0.0011","24.1864","0.0011","84.4","0.004","77.881","0.004","89.447","0.004","8416.3","0.7","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C172 H142 Au15 B O3 P6 S4 -","- C172 H142 Au15 B O3 P6 S4 -","- C344 H284 Au30 B2 O6 P12 S8 -","2","1","","Zhu, Chen; Li, Bo; Li, Chen; Lu, Luyao; Li, Hao; Yuan, Xinhua; Kang, Xi; Jiang, De-en; Zhu, Manzhou","Arylation of gold nanoclusters and insights into structure-related CO2 reduction reaction performances","Chemical Science","2025","16","23","10273","10281","10.1039/D5SC01200G","","x-ray","1.54186","CuKα","","0.1051","0.0729","","","0.1778","0.1993","","","","","","0.94","","","","has coordinates","300657","2025-07-06","14:42:49",""
"1574606","16.7395","0.0014","22.413","0.002","23.67","0.002","99.314","0.007","101.816","0.007","97.815","0.007","8445.3","1.3","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C172 H136 Au15 B F6 O3 P6 S4 -","- C172 H136 Au15 B F6 O3 P6 S4 -","- C344 H272 Au30 B2 F12 O6 P12 S8 -","2","1","","Zhu, Chen; Li, Bo; Li, Chen; Lu, Luyao; Li, Hao; Yuan, Xinhua; Kang, Xi; Jiang, De-en; Zhu, Manzhou","Arylation of gold nanoclusters and insights into structure-related CO2 reduction reaction performances","Chemical Science","2025","16","23","10273","10281","10.1039/D5SC01200G","","x-ray","1.54186","CuKα","","0.1101","0.0746","","","0.1878","0.204","","","","","","0.941","","","","has coordinates","300657","2025-07-06","14:42:57",""
"1574607","20.472","0.0011","21.4293","0.0013","22.513","0.0012","115.818","0.004","93.462","0.004","90.36","0.005","8868.6","0.9","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C148 H120 Au15 Cl2 O3 P6 S4 -","- C148 H120 Au15 Cl2 O3 P6 S4 -","- C296 H240 Au30 Cl4 O6 P12 S8 -","2","1","","Zhu, Chen; Li, Bo; Li, Chen; Lu, Luyao; Li, Hao; Yuan, Xinhua; Kang, Xi; Jiang, De-en; Zhu, Manzhou","Arylation of gold nanoclusters and insights into structure-related CO2 reduction reaction performances","Chemical Science","2025","16","23","10273","10281","10.1039/D5SC01200G","","x-ray","1.54186","CuKα","","0.0886","0.0645","","","0.1749","0.1872","","","","","","0.945","","","","has coordinates","300657","2025-07-06","14:42:58",""
"1574608","9.851","0.0003","10.45","0.0003","24.6569","0.0008","102.218","0.001","95.717","0.001","90.27","0.001","2467.55","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H23 B Cl P -","- C32 H23 B Cl P -","- C128 H92 B4 Cl4 P4 -","4","2","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","0.71073","MoKα","","0.0701","0.0528","","","0.1278","0.1389","","","","","","1.08","","","","has coordinates","300539","2025-07-06","13:44:48",""
"1574609","10.5356","0.0004","10.8441","0.0004","11.7844","0.0005","92.322","0.003","97.327","0.003","107.799","0.003","1266.93","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 B Cl P S -","- C32 H23 B Cl P S -","- C64 H46 B2 Cl2 P2 S2 -","2","1","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","1.54178","CuKα","","0.071","0.0505","","","0.1252","0.1379","","","","","","1.031","","","","has coordinates","300539","2025-07-06","13:44:48",""
"1574610","10.2944","0.0007","11.0077","0.0006","13.5352","0.0009","112.771","0.002","99.45","0.002","106.35","0.002","1290.76","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 B Cl P Se -","- C32 H23 B Cl P Se -","- C64 H46 B2 Cl2 P2 Se2 -","2","1","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","0.71073","MoKα","","0.075","0.0481","","","0.0933","0.1038","","","","","","1.029","","","","has coordinates","300539","2025-07-06","13:44:48",""
"1574611","19.9273","0.001","23.9626","0.0013","23.7599","0.0012","90","","108.182","0.004","90","","10779.1","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C140 H115 B4 O3 P4 S2 -","- C140 H115 B4 O3 P4 S2 -","- C560 H460 B16 O12 P16 S8 -","4","1","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","1.54178","CuKα","","0.1409","0.0844","","","0.2278","0.2679","","","","","","1.04","","","","has coordinates","300539","2025-07-06","13:44:48",""
"1574612","10.3156","0.0002","10.4528","0.0002","12.703","0.0003","92.231","0.002","109.039","0.001","105.061","0.001","1238.79","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 B Cl O P -","- C32 H23 B Cl O P -","- C64 H46 B2 Cl2 O2 P2 -","2","1","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","1.54178","CuKα","","0.0597","0.042","","","0.0992","0.1087","","","","","","1.038","","","","has coordinates","300539","2025-07-06","13:44:48",""
"1574613","21.7774","0.0014","19.7933","0.0014","25.0274","0.0019","90","","98.776","0.002","90","","10661.7","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C135 H100 B4 O2 P4 -","- C135 H100 B4 O2 P4 -","- C540 H400 B16 O8 P16 -","4","0.5","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","0.71073","MoKα","","0.1165","0.0734","","","0.1477","0.1657","","","","","","1.042","","","","has coordinates,has disorder","300539","2025-07-06","13:44:48",""
"1574614","19.994","0.0004","23.911","0.0005","23.8368","0.0004","90","","108.362","0.001","90","","10815.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C140 H116 B4 O3 P4 Se2 -","- C140 H116 B4 O3 P4 Se2 -","- C560 H464 B16 O12 P16 Se8 -","4","1","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","1.54178","CuKα","","0.0652","0.0444","","","0.099","0.1107","","","","","","1.038","","","","has coordinates,has disorder","300539","2025-07-06","13:44:48",""
"1574615","12.9579","0.0004","14.3772","0.0005","18.444","0.0007","74.792","0.001","71.244","0.001","63.367","0.001","2879.91","0.18","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C138 H97 B4 Cl2 F13 N2 O8 P4 S4 -","- C138 H97 B4 Cl2 F13 N2 O8 P4 S4 -","- C138 H97 B4 Cl2 F13 N2 O8 P4 S4 -","1","0.5","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","0.71073","MoKα","","0.0656","0.0516","","","0.1344","0.1452","","","","","","1.045","","","","has coordinates,has disorder","300539","2025-07-06","13:44:48",""
"1574616","9.5187","0.0004","20.2959","0.0011","27.6279","0.0014","90","","97.854","0.001","90","","5287.4","0.5","249","","249","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H48 N12 O6 Zn -","- C63 H48 N12 O6 Zn -","- C252 H192 N48 O24 Zn4 -","4","1","","Wang, Rongqi; Wang, Ruxue; Chen, Zeqin; Li, Laiwen; Zong, Xinyu; Wang, Jing; Zong, Ziao","A stable Zn-coordination polymer for the quantitative and selective detection of biomarker phenylglyoxylic acid in urine.","Analytical methods : advancing methods and applications","2025","17","22","4639","4645","10.1039/d5ay00405e","","","0.71073","MoKα","","0.0847","0.048","","","0.1053","0.1264","","","","","","1.053","","","","has coordinates","300384","2025-07-06","12:36:40",""
"1574617","14.4106","0.0001","15.4214","0.0001","24.1204","0.0002","101.438","0.001","105.322","0.001","103.955","0.001","4816.59","0.08","150","0.1","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C47 H76 Al K N2 O Si2 -","- C47 H76 Al K N2 O Si2 -","- C188 H304 Al4 K4 N8 O4 Si8 -","4","2","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","","1.54184","CuKα","","0.0385","0.0356","","","0.0946","0.0965","","","","","","1.068","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574618","16.7297","0.0003","22.5628","0.0002","17.7034","0.0003","90","","104.568","0.002","90","","6467.64","0.18","150","0.1","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H106 Al K N2 O7 Si2 -","- C58 H106 Al K N2 O7 Si2 -","- C232 H424 Al4 K4 N8 O28 Si8 -","4","1","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","","1.54184","CuKα","","0.0719","0.0581","","","0.1506","0.1598","","","","","","1.036","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574619","22.4566","0.0003","18.6939","0.0002","23.7291","0.0002","90","","107.299","0.001","90","","9510.91","0.19","150","0.1","150.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C94 H152 Al2 K2 N4 O2 Si4 -","- C94 H152 Al2 K2 N4 O2 Si4 -","- C376 H608 Al8 K8 N16 O8 Si16 -","4","0.5","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","","1.54184","CuKα","","0.0694","0.0554","","","0.1372","0.1444","","","","","","1.023","","","","has coordinates","300543","2025-07-06","13:46:27",""
"1574620","13.527","0.0001","23.8483","0.0001","20.0037","0.0001","90","","90","","90","","6453.11","0.06","150","0.1","150.15","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C60 H102 Al K N2 O7 Si2 -","- C60 H102 Al K N2 O7 Si2 -","- C240 H408 Al4 K4 N8 O28 Si8 -","4","0.5","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","neutron","1.003","neutron","","0.1732","0.1061","","","0.2347","0.2837","","","","","","1.055","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574621","13.3496","0.0002","23.9758","0.0006","20.1328","0.0003","90","","90","","90","","6443.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C59 H99 Al F K N2 O7 Si2 -","- C59 H99 Al F K N2 O7 Si2 -","- C236 H396 Al4 F4 K4 N8 O28 Si8 -","4","0.5","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","x-ray","1.54184","CuKα","","0.1109","0.0945","","","0.2662","0.2831","","","","","","1.055","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574622","15.8565","0.0003","22.3423","0.0005","19.5531","0.0005","90","","102.317","0.002","90","","6767.6","0.3","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H112 Al K N2 O7 Si2 -","- C60.5 H112 Al K N2 O7 Si2 -","- C242 H448 Al4 K4 N8 O28 Si8 -","4","1","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","x-ray","1.54184","CuKα","","0.1095","0.0851","","","0.2492","0.2762","","","","","","1.04","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574623","14.8101","0.0004","24.0778","0.0003","22.5799","0.0004","90","","98.984","0.002","90","","7953.1","0.3","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H130 Al K N2 O7 Si2 -","- C74 H130 Al K N2 O7 Si2 -","- C296 H520 Al4 K4 N8 O28 Si8 -","4","1","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","x-ray","1.54184","CuKα","","0.1463","0.1124","","","0.2972","0.3242","","","","","","1.049","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574624","13.527","0.0001","23.8483","0.0001","20.0037","0.0001","90","","90","","90","","6453.11","0.06","150","0.1","150","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C60 H102 Al K N2 O7 Si2 -","- C60 H102 Al K N2 O7 Si2 -","- C240 H408 Al4 K4 N8 O28 Si8 -","4","0.5","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","x-ray","1.54184","CuKα","","0.0795","0.0772","","","0.224","0.2269","","","","","","1.082","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574625","20.4545","0.0003","14.2108","0.0002","45.7301","0.0008","90","","96.745","0.002","90","","13200.6","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C151 H177 Al2 K2 N4 O4 -","- C151 H177 Al2 K2 N4 O4 -","- C604 H708 Al8 K8 N16 O16 -","4","1","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","x-ray","1.54184","CuKα","","0.1149","0.0863","","","0.2152","0.2317","","","","","","1.093","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574626","11.5727","0.0001","26.0715","0.0004","28.9632","0.0004","88.405","0.001","79.773","0.001","89.78","0.001","8596.53","0.19","150.01","0.1","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C175 H253 Al2 K2 N4 O16 Si4 -","- C175 H253 Al2 K2 N4 O16 Si4 -","- C350 H506 Al4 K4 N8 O32 Si8 -","2","1","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","","1.54184","CuKα","","0.0852","0.0745","","","0.2061","0.217","","","","","","1.021","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574627","22.7671","0.0008","22.7671","0.0008","14.8686","0.0007","90","","90","","90","","7707","0.5","170","2","170","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C43 H51 Cl2 Co N3 -","- C43 H51 Cl2 Co N3 -","- C344 H408 Cl16 Co8 N24 -","8","0.5","","Wang, Yizhou; Wang, Zheng; Zhang, Qiuyue; Wang, Quanchao; Solan, Gregory A.; Duan, Xuelei; Ma, Yanping; Gao, Jiahao; Zhou, Zhe; Sun, Wen-Hua","Ultra-low-molecular-weight PE wax using a cyclohexyl-fused bis(imino)pyridine-cobalt catalyst functionalized with a remote para-phenyl group","Polymer Chemistry","2025","16","23","2718","2731","10.1039/D5PY00358J","","x-ray","1.54184","CuKα","","0.0784","0.0627","","","0.1856","0.2072","","","","","","0.797","","","","has coordinates","301188","2025-07-06","18:03:13",""
"1574628","33.7269","0.0006","32.778","0.0006","14.0568","0.0003","90","","90","","90","","15539.8","0.5","169.99","0.1","169.99","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C37 H39 Cl2 Co N3 -","- C37 H39 Cl2 Co N3 -","- C592 H624 Cl32 Co16 N48 -","16","1","","Wang, Yizhou; Wang, Zheng; Zhang, Qiuyue; Wang, Quanchao; Solan, Gregory A.; Duan, Xuelei; Ma, Yanping; Gao, Jiahao; Zhou, Zhe; Sun, Wen-Hua","Ultra-low-molecular-weight PE wax using a cyclohexyl-fused bis(imino)pyridine-cobalt catalyst functionalized with a remote para-phenyl group","Polymer Chemistry","2025","16","23","2718","2731","10.1039/D5PY00358J","","x-ray","1.54184","CuKα","","0.0715","0.0661","","","0.187","0.1925","","","","","","1.052","","","","has coordinates,has disorder","301188","2025-07-06","18:03:13",""
"1574629","13.271","0.003","13.904","0.003","11.206","0.002","90","","105.547","0.006","90","","1992.1","0.7","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","<i>tert</i>-Butyl [(4-fluoro-3-isopropoxyisoxazol-5-yl)methyl](phenylsulfonyl)carbamate","","- C18 H23 F N2 O6 S -","- C18 H23 F N2 O6 S -","- C72 H92 F4 N8 O24 S4 -","4","1","VM4067","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.","tert-Butyl [(4-fluoro-3-isopropoxyisoxazol-5-yl)methyl](phenylsulfonyl)carbamate","IUCrData","2025","10","5","x250385","","10.1107/S2414314625003852","","x-ray","0.71073","MoKα","","0.0634","0.0423","","","0.0823","0.0902","","","","","","1.015","","","","has coordinates","300370","2025-07-05","10:15:22",""
"1574630","9.5469","0.0004","8.983","0.0003","21.8191","0.0007","90","","90","","90","","1871.2","0.12","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-[(1<i>Z</i>)-Cyclodec-5-yn-1-ylidene]hydroxylamine","","- C10 H15 N O -","- C10 H15 N O -","- C80 H120 N8 O8 -","8","1","BT4170","Detert, Heiner; Schollmeyer, Dieter","N-[(1Z)-Cyclodec-5-yn-1-ylidene]hydroxylamine","IUCrData","2025","10","5","x250414","","10.1107/S2414314625004146","","","0.71073","MoKα","","0.0492","0.0422","","","0.1056","0.1112","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:15:22",""
"1574631","5.5676","0.0005","33.185","0.003","7.6949","0.0005","90","","90.325","0.002","90","","1421.7","0.2","100","0.5","100","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-[Oxybis(benzene-4,1-diyl)]diacetamide","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","HB4515","Uppu, Rao M.; Agu, Ogad A.; Babu, Sainath; Mensah, Patrick F.; Fronczek, Frank R.","N,N′-[Oxybis(benzene-4,1-diyl)]diacetamide","IUCrData","2025","10","5","x250384","","10.1107/S2414314625003840","","","0.56086","AgKα","","0.0778","0.0652","","","0.1682","0.1792","","","","","","1.049","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574632","5.5734","0.0009","8.1618","0.0013","10.6194","0.0016","98.577","0.002","96.441","0.002","102.546","0.002","461","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-(4-Bromophenyl)but-2-en-1-one","","- C10 H9 Br O -","- C10 H9 Br O -","- C20 H18 Br2 O2 -","2","1","WM4228","Sonneck, Marcel; Spannenberg, Anke; Wohlrab, Sebastian; Peppel, Tim","(E)-1-(4-Bromophenyl)but-2-en-1-one","IUCrData","2025","10","5","x250415","","10.1107/S2414314625004158","","","0.71073","MoKα","","0.0221","0.0194","","","0.0497","0.0511","","","","","","1.048","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574633","7.2217","0.0004","15.6664","0.0008","8.4925","0.0005","90","","90.11","0.004","90","","960.82","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,12-Diselena-5,6,13,14-tetraazatricyclo[9.3.0.0^3,7^]tetradeca-1(11),3(7),5,13-tetraene","","- C8 H8 N4 Se2 -","- C8 H8 N4 Se2 -","- C32 H32 N16 Se8 -","4","1","VM4066","Schollmeyer, Dieter; Detert, Heiner","4,12-Diselena-5,6,13,14-tetraazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),5,13-tetraene","IUCrData","2025","10","5","x250324","","10.1107/S2414314625003244","","","0.71073","MoKα","","0.0357","0.0293","","","0.0672","0.0709","","","","","","1.171","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574634","7.4809","0.0002","10.5655","0.0002","12.0412","0.0003","97.593","0.002","104.947","0.002","94.357","0.002","905.43","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2'-Amino-5'-benzoyl-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3'-carbonitrile","","- C21 H14 Br N3 O3 -","- C21 H14 Br N3 O3 -","- C42 H28 Br2 N6 O6 -","2","1","HB4511","Naghiyev, Farid N.; Hökelek, Tuncer; Khrustalev, Victor N.; Khalilov, Ali N.; Belay, Alebel N.","2′-Amino-5′-benzoyl-5-bromo-6′-methyl-2-oxospiro[indoline-3,4′-pyran]-3′-carbonitrile","IUCrData","2025","10","5","x250374","","10.1107/S2414314625003748","","","1.54184","CuKα","","0.0416","0.0403","","","0.1157","0.1173","","","","","","1.069","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574635","14.0683","0.0002","18.4885","0.0002","17.7569","0.0002","90","","93.407","0.001","90","","4610.44","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[5-(anthracen-9-ylmethyl)-1,5,9-triazacyclododecan-1-ium] tetrachloridozincate","","- C48 H64 Cl4 N6 Zn -","- C48 H64 Cl4 N6 Zn -","- C192 H256 Cl16 N24 Zn4 -","4","1","BX4034","Ichimaru, Yoshimi; Kato, Koichi; Jin, Wanchun; Kurihara, Masaaki; Kurosaki, Hiromasa","Bis[5-(anthracen-9-ylmethyl)-1,5,9-triazacyclododecan-1-ium] tetrachloridozincate","IUCrData","2025","10","5","x250356","","10.1107/S2414314625003566","","","1.54184","CuKα","","0.0522","0.0495","","","0.1348","0.1377","","","","","","1.033","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574636","9.1862","0.0004","12.1495","0.0005","14.5113","0.0007","111.807","0.002","96.893","0.002","100.568","0.002","1446.42","0.12","109","2","109","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H26 Br Cl Co N7 O5 -","- C27 H26 Br Cl Co N7 O5 -","- C54 H52 Br2 Cl2 Co2 N14 O10 -","2","1","","Kukreti, Prashant; Chauhan, Rahul; Ghosh, Kaushik","A passage from pincer complexes to rationally designed phosphine-free Co(iii) catalysts supported by a pentadentate ligand for activation of alcohols: studies on sp3 C–H alkylation of 9H-fluorene and quinoline synthesis","Catalysis Science & Technology","2025","15","13","3816","3826","10.1039/D5CY00422E","","","0.71073","MoKα","","0.0496","0.0373","","","0.0909","0.0978","","","","","","1.051","","","","has coordinates","300389","2025-07-06","12:38:08",""
"1574637","8.6873","0.0004","16.7926","0.0008","18.9662","0.001","85.258","0.002","76.904","0.002","86.461","0.002","2683","0.2","104","2","104","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H46 Cl4 Co2 N12 O10 -","- C50 H46 Cl4 Co2 N12 O10 -","- C100 H92 Cl8 Co4 N24 O20 -","2","1","","Kukreti, Prashant; Chauhan, Rahul; Ghosh, Kaushik","A passage from pincer complexes to rationally designed phosphine-free Co(iii) catalysts supported by a pentadentate ligand for activation of alcohols: studies on sp3 C–H alkylation of 9H-fluorene and quinoline synthesis","Catalysis Science & Technology","2025","15","13","3816","3826","10.1039/D5CY00422E","","","0.71073","MoKα","","0.0559","0.048","","","0.1254","0.131","","","","","","1.027","","","","has coordinates","300389","2025-07-06","12:38:09",""
"1574638","8.9792","0.001","6.2593","0.0006","11.4802","0.0013","90","","111.827","0.013","90","","598.97","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C26 H32 O4 -","2","1","","Shao, Sufang; Yuan, Yang; Schmoll, Alban; Wu, Xiao-Feng","Copper-catalyzed asymmetric carbonylative hydroallylation of vinylarenes","Chemical Science","2025","16","24","10951","10956","10.1039/D5SC02421H","","x-ray","1.54184","CuKα","","0.059","0.0429","","","0.1183","0.1383","","","","","","0.929","","","","has coordinates","300545","2025-07-06","13:46:53",""
"1574639","7.7707","0.0003","8.041","0.0003","19.5459","0.0007","90","","90","","90","","1221.31","0.08","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Br3 Mn N O -","- C6 H14 Br3 Mn N O -","- C24 H56 Br12 Mn4 N4 O4 -","4","1","","Wang, Fei; Li, Xingjun; Chen, Tianqi; Wang, Liqing; Li, Chenliang; Zhang, Wei; Yuan, Wen; Lu, Shan; Li, Lina; Chen, Xueyuan","A strategy of chiral cation coordination to achieve a large luminescence dissymmetry factor in 1D hybrid manganese halides","Chemical Science","2025","16","24","11012","11020","10.1039/D5SC01615K","","x-ray","0.71073","MoKα","","0.0275","0.0215","","","0.0401","0.041","","","","","","1.002","","","","has coordinates","300548","2025-07-06","13:47:43",""
"1574640","7.7824","0.0004","8.0325","0.0004","19.5413","0.0008","90","","90","","90","","1221.57","0.1","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Br3 Mn N O -","- C6 H14 Br3 Mn N O -","- C24 H56 Br12 Mn4 N4 O4 -","4","1","","Wang, Fei; Li, Xingjun; Chen, Tianqi; Wang, Liqing; Li, Chenliang; Zhang, Wei; Yuan, Wen; Lu, Shan; Li, Lina; Chen, Xueyuan","A strategy of chiral cation coordination to achieve a large luminescence dissymmetry factor in 1D hybrid manganese halides","Chemical Science","2025","16","24","11012","11020","10.1039/D5SC01615K","","x-ray","0.71073","MoKα","","0.0394","0.0329","","","0.0711","0.0737","","","","","","1.045","","","","has coordinates","300548","2025-07-06","13:47:43",""
"1574641","13.099","0.0003","13.099","0.0003","13.416","0.0004","90","","90","","120","","1993.56","0.09","200","","200","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 H23 Cd5 N37 O10 -","- C9 H23.0004 Cd5 N37 O10 -","- C18 H46.0008 Cd10 N74 O20 -","2","0.0833333","","Wang, Jia-Wen; Fan, Shu-Cong; Yuan, Wenyu; Wang, Ying; Zhai, Quan-Guo","Inter-cluster-linker-absence-enabled sub-Ångstrom pore modulation in a metal–organic framework for multi-scenario CO2 capture","Chemical Science","2025","16","25","11447","11455","10.1039/D5SC02144H","","","0.71073","MoKα","","0.0752","0.0752","","","0.1903","0.1903","","","","","","1.15","","","","has coordinates,has disorder","300621","2025-07-06","14:26:51",""
"1574642","30.227","0.004","17.3463","0.0019","33.229","0.004","90","","112.607","0.003","90","","16084","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H186 Ag19 O28 P12 Rh Se24 -","- C76 H186 Ag19 O28 P12 Rh Se24 -","- C304 H744 Ag76 O112 P48 Rh4 Se96 -","4","1","","Chiu, Tzu-Hao; Pillay, Michael N.; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Rhodium-silver superatomic nanoclusters stabilized by diselenophosphate ligands.","Nanoscale","2025","17","21","13502","13509","10.1039/d5nr01190f","","","0.71073","MoKα","","0.1146","0.0767","","","0.1552","0.1709","","","","","","1.122","","","","has coordinates,has disorder","301026","2025-07-06","17:25:53",""
"1574643","32.578","0.002","32.578","0.002","32.578","0.002","90","","90","","90","","34576","4","100","2","100","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C72 H169 Ag20 O24 P12 Rh Se24 -","- C72 H169 Ag20 O24 P12 Rh Se24 -","- C576 H1352 Ag160 O192 P96 Rh8 Se192 -","8","0.333333","","Chiu, Tzu-Hao; Pillay, Michael N.; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Rhodium-silver superatomic nanoclusters stabilized by diselenophosphate ligands.","Nanoscale","2025","17","21","13502","13509","10.1039/d5nr01190f","","","0.71073","MoKα","","0.0906","0.0592","","","0.1234","0.1469","","","","","","1.078","","","","has coordinates","301026","2025-07-06","17:25:53",""
"1574644","16.0696","0.0011","18.3134","0.0017","29.837","0.002","81.936","0.002","76.8308","0.0016","64.9124","0.0015","7733.7","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H168 Ag21 O24 P12 Rh Se24 -","- C72 H168 Ag21 O24 P12 Rh Se24 -","- C144 H336 Ag42 O48 P24 Rh2 Se48 -","2","1","","Chiu, Tzu-Hao; Pillay, Michael N.; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Rhodium-silver superatomic nanoclusters stabilized by diselenophosphate ligands.","Nanoscale","2025","17","21","13502","13509","10.1039/d5nr01190f","","","0.71073","MoKα","","0.0938","0.0576","","","0.1197","0.1396","","","","","","1.023","","","","has coordinates,has disorder","301026","2025-07-06","17:25:53",""
"1574645","19.7706","0.0002","19.7706","0.0002","15.9534","0.0002","90","","90","","90","","6235.81","0.12","100","0.3","100","0.3","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C98 H104 In4 O70 Ti12 -","- C98 H108 In4 O70 Ti12 -","- C196 H216 In8 O140 Ti24 -","2","0.25","","Wu, Jiao; Chen, Jiali; Wang, Liming; Ye, Yuting; Zhan, Xiaozhi; Song, Yihang; Li, Qiao-Hong; Yi, Xiaofeng; Zhang, Jian","Ligand effect on In-Ti-oxo nanoclusters for nanolithography.","Materials horizons","2025","12","16","6283","6290","10.1039/d4mh01920b","","x-ray","1.3405","GaKα","","0.0507","0.0415","","","0.1034","0.109","","","","","","1.032","","","","has coordinates,has disorder","302800","2025-10-06","10:44:05",""
"1574646","19.6806","0.0004","19.6806","0.0004","15.9007","0.0004","90","","90","","90","","6158.8","0.2","100","0.1","100","0.1","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C92 H112 In4 O78 Ti12 -","- C92 H112 In4 O78 Ti12 -","- C184 H224 In8 O156 Ti24 -","2","0.25","","Wu, Jiao; Chen, Jiali; Wang, Liming; Ye, Yuting; Zhan, Xiaozhi; Song, Yihang; Li, Qiao-Hong; Yi, Xiaofeng; Zhang, Jian","Ligand effect on In-Ti-oxo nanoclusters for nanolithography.","Materials horizons","2025","12","16","6283","6290","10.1039/d4mh01920b","","x-ray","1.3405","GaKα","","0.1069","0.0797","","","0.1991","0.2157","","","","","","1.066","","","","has coordinates","302800","2025-10-06","10:44:06",""
"1574647","18.855","0.0004","16.9266","0.0002","31.0947","0.0005","90","","103.552","0.002","90","","9647.6","0.3","120","0.3","120","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H68 In4 N12 O88 Ti12 -","- C92 H68 In4 N12 O88 Ti12 -","- C184 H136 In8 N24 O176 Ti24 -","2","0.5","","Wu, Jiao; Chen, Jiali; Wang, Liming; Ye, Yuting; Zhan, Xiaozhi; Song, Yihang; Li, Qiao-Hong; Yi, Xiaofeng; Zhang, Jian","Ligand effect on In-Ti-oxo nanoclusters for nanolithography.","Materials horizons","2025","12","16","6283","6290","10.1039/d4mh01920b","","x-ray","1.3405","GaKα","","0.0819","0.0672","","","0.192","0.2029","","","","","","1.041","","","","has coordinates","302800","2025-10-06","10:44:06",""
"1574648","26.2798","0.0002","20.9981","0.0002","31.0613","0.0003","90","","107.447","0.001","90","","16351.9","0.3","120","0.3","120","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C106 H114 In4 O66 Ti12 -","- C106 H114 In4 O66 Ti12 -","- C424 H456 In16 O264 Ti48 -","4","1","","Wu, Jiao; Chen, Jiali; Wang, Liming; Ye, Yuting; Zhan, Xiaozhi; Song, Yihang; Li, Qiao-Hong; Yi, Xiaofeng; Zhang, Jian","Ligand effect on In-Ti-oxo nanoclusters for nanolithography.","Materials horizons","2025","12","16","6283","6290","10.1039/d4mh01920b","","x-ray","1.3405","GaKα","","0.0732","0.0581","","","0.1573","0.1675","","","","","","1.055","","","","has coordinates,has disorder","302800","2025-10-06","10:44:06",""
"1574649","19.908","0.0004","22.5594","0.0003","32.932","0.0008","90","","104.374","0.002","90","","14327.2","0.5","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H87 F12 In4 O68 Ti12 -","- C96 H88 F12 In4 O68 Ti12 -","- C384 H352 F48 In16 O272 Ti48 -","4","1","","Wu, Jiao; Chen, Jiali; Wang, Liming; Ye, Yuting; Zhan, Xiaozhi; Song, Yihang; Li, Qiao-Hong; Yi, Xiaofeng; Zhang, Jian","Ligand effect on In-Ti-oxo nanoclusters for nanolithography.","Materials horizons","2025","12","16","6283","6290","10.1039/d4mh01920b","","x-ray","0.71073","MoKα","","0.1195","0.072","","","0.187","0.2117","","","","","","1.067","","","","has coordinates,has disorder","302800","2025-10-06","10:44:06",""
"1574650","11.5762","0.0006","19.2982","0.0011","13.3269","0.0007","90","","99.97","0.002","90","","2932.3","0.3","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 B N2 -","- C36 H41 B N2 -","- C144 H164 B4 N8 -","4","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0731","0.044","","","0.1089","0.1159","","","","","","1.002","","","","has coordinates","300564","2025-07-06","13:59:58",""
"1574651","5.7579","0.0004","15.6788","0.0011","16.3799","0.0011","90","","94.763","0.003","90","","1473.62","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 B N4 -","- C18 H15 B N4 -","- C72 H60 B4 N16 -","4","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0722","0.0469","","","0.0996","0.1141","","","","","","1.05","","","","has coordinates","300564","2025-07-06","14:00:00",""
"1574652","10.2681","0.0002","17.857","0.0004","15.4419","0.0003","90","","100.302","0.001","90","","2785.74","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H44 B N -","- C35 H44 B N -","- C140 H176 B4 N4 -","4","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0521","0.0457","","","0.1124","0.1172","","","","","","1.072","","","","has coordinates","300564","2025-07-06","14:00:01",""
"1574653","11.0019","0.0008","13.4954","0.0011","16.5173","0.0012","90","","100.269","0.003","90","","2413.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 B N O -","- C28 H34 B N O -","- C112 H136 B4 N4 O4 -","4","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0497","0.0475","","","0.1246","0.1268","","","","","","1.051","","","","has coordinates","300564","2025-07-06","14:00:09",""
"1574654","10.8373","0.0005","12.1312","0.0007","13.6657","0.0007","84.39","0.002","72.008","0.002","68.497","0.002","1589.59","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C78 H76 B2 N6 -","- C78 H76 B2 N6 -","- C78 H76 B2 N6 -","1","0.5","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0621","0.0604","","","0.1492","0.1507","","","","","","1.021","","","","has coordinates,has disorder","300564","2025-07-06","14:00:10",""
"1574655","20.64","0.002","13.099","0.002","22.222","0.003","90","","96.787","0.007","90","","5965.9","1.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H43 B N2 O -","- C37 H43 B N2 O -","- C296 H344 B8 N16 O8 -","8","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0787","0.0529","","","0.1245","0.1426","","","","","","1.038","","","","has coordinates","300564","2025-07-06","14:00:11",""
"1574656","13.063","0.003","15.942","0.003","21.12","0.005","92.077","0.008","107.094","0.008","109.231","0.007","3926","1.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H64 B3 F15 N2 -","- C72 H64 B3 F15 N2 -","- C144 H128 B6 F30 N4 -","2","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.092","0.0713","","","0.1747","0.1897","","","","","","1.02","","","","has coordinates,has disorder","300564","2025-07-06","14:00:20",""
"1574657","17.458","0.0013","14.7741","0.0011","16.2688","0.0012","90","","104.417","0.002","90","","4064","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H50 B N3 -","- C45 H50 B N3 -","- C180 H200 B4 N12 -","4","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0943","0.0593","","","0.1312","0.1502","","","","","","1.021","","","","has coordinates","300564","2025-07-06","14:00:21",""
"1574658","22.8543","0.0011","7.3211","0.0003","19.097","0.001","90","","126.949","0.003","90","","2553.6","0.2","220","","220","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C120 H128 O24 -","8","2","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.045","0.0357","","","0.0858","0.0882","","","","","","0.988","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574659","7.2282","0.0008","14.1294","0.0013","13.1197","0.0016","90","","90.972","0.009","90","","1339.7","0.3","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","2","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.1498","0.1276","","","0.3007","0.318","","","","","","1.169","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574660","17.7579","0.0018","19.141","0.003","7.3717","0.0008","90","","90","","90","","2505.7","0.5","150","","150","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","2","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.1761","0.081","","","0.1864","0.2285","","","","","","0.9","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574661","7.6126","0.0005","7.6126","0.0005","18.9125","0.0015","90","","90","","120","","949.17","0.12","150","","150","","","","","","","","","3","P 32","P 32","145","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C45 H54 O9 -","3","1","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.0406","0.0335","","","0.0718","0.0727","","","","","","0.985","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574662","9.7955","0.001","10.5156","0.0016","12.1712","0.0012","90","","90","","90","","1253.7","0.3","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.0494","0.0376","","","0.083","0.0855","","","","","","0.972","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574663","9.4319","0.0003","5.7056","0.0002","23.0001","0.0006","90","","95.478","0.002","90","","1232.09","0.07","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","2","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.0397","0.035","","","0.0963","0.0981","","","","","","1.067","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574664","7.43","0.0006","10.0076","0.0008","14.9814","0.0012","96.641","0.006","101.339","0.006","99.843","0.007","1063.22","0.15","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C21 H34 O2 Si -","- C21 H34 O2 Si -","- C42 H68 O4 Si2 -","2","2","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.096","0.0713","","","0.1761","0.1893","","","","","","0.961","","","","has coordinates,has disorder","300622","2025-07-06","14:27:07",""
"1574665","8.8918","0.0003","10.034","0.0004","13.7443","0.0006","90","","90","","90","","1226.27","0.08","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.0388","0.0355","","","0.0976","0.0988","","","","","","1.095","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574666","8.2636","0.0003","10.5834","0.0004","12.5316","0.0004","72.073","0.001","74.008","0.001","67.285","0.001","946.44","0.06","300","2","300","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O6 S -","- C19 H18 N2 O6 S -","- C38 H36 N4 O12 S2 -","2","1","","Morales-Ortega, Guillermo; Merino, Estíbaliz; Carreras, Javier","Visible-light-initiated metal-free Csp3–Csp3 to Csp3–N conversion in homobenzylic sulfonamides with N-iodoimides","Chemical Science","2025","16","25","11413","11418","10.1039/D5SC02168E","","","1.54178","CuKα","","0.0533","0.0458","","","0.1184","0.1286","","","","","","1.061","","","","has coordinates","300616","2025-07-06","14:22:43",""
"1574667","17.5314","0.0003","17.5314","0.0003","17.5314","0.0003","90","","90","","90","","5388.28","0.16","150","0.2","150","0.2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- C12 H36 K4 O4 Si4 -","- C12 H36 K4 O4 Si4 -","- C96 H288 K32 O32 Si32 -","8","0.0833333","","Yang, Xiao; Davison, Nathan; Lowe, Matthew E.; Waddell, Paul G.; Armstrong, Roly J.; McMullin, Claire L.; Hopkinson, Matthew N.; Lu, Erli","CO methylenation mediated by organo-alkali metal reagents: metal identity and ligand effects","Chemical Science","2025","16","24","11151","11160","10.1039/D5SC02313K","","x-ray","1.54184","CuKα","","0.0194","0.0185","","","0.051","0.0517","","","","","","1.12","","","","has coordinates","300540","2025-07-06","13:45:00",""
"1574668","12.8781","0.0002","16.8307","0.0002","19.5417","0.0002","100.859","0.001","90.423","0.001","94.841","0.001","4143.76","0.09","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H112 K4 O4 Si4 -","- C82 H112 K4 O4 Si4 -","- C164 H224 K8 O8 Si8 -","2","1","","Yang, Xiao; Davison, Nathan; Lowe, Matthew E.; Waddell, Paul G.; Armstrong, Roly J.; McMullin, Claire L.; Hopkinson, Matthew N.; Lu, Erli","CO methylenation mediated by organo-alkali metal reagents: metal identity and ligand effects","Chemical Science","2025","16","24","11151","11160","10.1039/D5SC02313K","","x-ray","1.54184","CuKα","","0.0596","0.0486","","","0.1157","0.121","","","","","","1.062","","","","has coordinates,has disorder","300540","2025-07-06","13:45:01",""
"1574669","13.6332","0.0002","18.0507","0.0003","21.0915","0.0003","90","","95.283","0.001","90","","5168.33","0.14","110.07","0.12","110.07","0.12","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H68 B10 Bi I N4 Si2 -","- C32 H56 B10 Bi I N4 Si2 -","- C128 H224 B40 Bi4 I4 N16 Si8 -","4","1","","Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias","Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand","Chemical Science","2025","16","24","10826","10832","10.1039/D5SC02644J","","","1.54184","CuKα","","0.0345","0.0319","","","0.08","0.0818","","","","","","1.027","","","","has coordinates","300538","2025-07-06","13:44:20",""
"1574670","10.0567","0.0004","14.8404","0.0006","19.9981","0.0008","70.8","0.004","86.199","0.003","84.365","0.003","2803.2","0.2","111.5","0.6","111.5","0.6","","","","","","","","8","P -1","-P 1","2","","","","- C88 H160 B20 Bi2 K2 N8 O6 Si4 -","- C88 H160 B20 Bi2 K2 N8 O6 Si4 -","- C88 H160 B20 Bi2 K2 N8 O6 Si4 -","1","0.5","","Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias","Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand","Chemical Science","2025","16","24","10826","10832","10.1039/D5SC02644J","","","1.54184","CuKα","","0.0526","0.0448","","","0.1134","0.1207","","","","","","1.034","","","","has coordinates,has disorder","300538","2025-07-06","13:44:21",""
"1574671","15.6606","0.0001","10.1951","0.0001","27.7238","0.0002","90","","93.696","0.001","90","","4417.21","0.06","110","1","110.15","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C33 H56 B10 Bi F3 N4 O3 S Si2 -","- C33 H56 B10 Bi F3 N4 O3 S Si2 -","- C132 H224 B40 Bi4 F12 N16 O12 S4 Si8 -","4","1","","Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias","Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand","Chemical Science","2025","16","24","10826","10832","10.1039/D5SC02644J","","","1.54184","CuKα","","0.024","0.0228","","","0.0591","0.06","","","","","","1.04","","","","has coordinates","300538","2025-07-06","13:44:21",""
"1574672","23.2329","0.0004","18.601","0.0004","13.6308","0.0003","90","","90","","90","","5890.6","0.2","110.07","0.12","111.15","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C46 H72 B10 Bi N4 Si2 -","- C32 H56 B10 Bi N4 Si2 -","- C128 H224 B40 Bi4 N16 Si8 -","4","0.25","","Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias","Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand","Chemical Science","2025","16","24","10826","10832","10.1039/D5SC02644J","","","1.54184","CuKα","","0.0611","0.0561","","","0.1501","0.1545","","","","","","1.096","","","","has coordinates,has disorder","300538","2025-07-06","13:44:21",""
"1574673","16.1469","0.0004","18.081","0.0003","18.3593","0.0004","90","","98.144","0.002","90","","5306","0.2","111.3","0.6","111.15","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C36 H61 B10 Bi Cl2 F6 N4 O6 S2 Si2 -","- C36 H61 B10 Bi Cl2 F6 N4 O6 S2 Si2 -","- C144 H244 B40 Bi4 Cl8 F24 N16 O24 S8 Si8 -","4","1","","Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias","Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand","Chemical Science","2025","16","24","10826","10832","10.1039/D5SC02644J","","","1.54184","CuKα","","0.0799","0.062","","","0.1785","0.2149","","","","","","1.042","","","","has coordinates,has disorder","300538","2025-07-06","13:44:21",""
"1574674","14.6563","0.0015","21.5556","0.0019","11.8123","0.0012","90","","102.996","0.003","90","","3636.2","0.6","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H12 N5 O16 Zr -","- C35 H12 N5 O16 Zr -","- C140 H48 N20 O64 Zr4 -","4","1","","Li, Ying-Lin; Li, Ning; Mei, Zhi-Bin; Li, Jun-Rong; Yao, Su-Juan; Yu, Fei; Li, Shun-Li; Lin, Jiao-Min; Liu, Jiang; Lan, Ya-Qian","Achieving highly efficient carbon radical-mediated cross-coupling reaction in a confined radical microenvironment within a metal–organic framework","Chemical Science","2025","16","26","11939","11948","10.1039/D5SC01242B","","","0.71073","MoKα","","0.0896","0.0642","","","0.1597","0.1763","","","","","","1.024","","","","has coordinates","300569","2025-07-06","14:02:30",""
"1574675","14.6361","0.0014","21.52","0.002","11.8409","0.0013","90","","103.015","0.004","90","","3633.7","0.6","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H19 Hf0.99 N6 O17 -","- C38 H19 Hf0.986 N6 O17 -","- C152 H76 Hf3.944 N24 O68 -","4","1","","Li, Ying-Lin; Li, Ning; Mei, Zhi-Bin; Li, Jun-Rong; Yao, Su-Juan; Yu, Fei; Li, Shun-Li; Lin, Jiao-Min; Liu, Jiang; Lan, Ya-Qian","Achieving highly efficient carbon radical-mediated cross-coupling reaction in a confined radical microenvironment within a metal–organic framework","Chemical Science","2025","16","26","11939","11948","10.1039/D5SC01242B","","","0.71073","MoKα","","0.0276","0.0258","","","0.0672","0.0682","","","","","","1.077","","","","has coordinates","300569","2025-07-06","14:02:31",""
"1574676","67.056","0.008","6.1193","0.0007","11.4807","0.0013","90","","90","","90","","4710.9","0.9","100","2","100","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H23 N14 O16 Y -","- C12 H23 N14 O16 Y -","- C96 H184 N112 O128 Y8 -","8","0.5","","Zhang, Jing; Liu, Yuxiao; Wang, Fangyan; Gong, Pifu; Li, Zhaoyi; Zhang, Xinyuan; Liang, Fei; Guo, Shu; Hu, Zhanggui; Wu, Yicheng","“Three functions in one”: multifunctional rare-earth cyamelurates with magnetism, luminescence, and giant optical nonlinearity","Chemical Science","2025","16","24","10983","10989","10.1039/D5SC01230A","","","0.71073","MoKα","","0.0801","0.0728","","","0.215","0.2251","","","","","","1.094","","","","has coordinates","300549","2025-07-06","13:47:55",""
"1574677","66.982","0.003","6.1537","0.0002","11.6511","0.0004","90","","90","","90","","4802.4","0.3","273.15","","273.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H23 Lu N14 O16 -","- C12 H23 Lu N14 O16 -","- C96 H184 Lu8 N112 O128 -","8","0.5","","Zhang, Jing; Liu, Yuxiao; Wang, Fangyan; Gong, Pifu; Li, Zhaoyi; Zhang, Xinyuan; Liang, Fei; Guo, Shu; Hu, Zhanggui; Wu, Yicheng","“Three functions in one”: multifunctional rare-earth cyamelurates with magnetism, luminescence, and giant optical nonlinearity","Chemical Science","2025","16","24","10983","10989","10.1039/D5SC01230A","","","0.71073","MoKα","","0.0532","0.0492","","","0.1496","0.1538","","","","","","1.146","","","","has coordinates","300549","2025-07-06","13:47:57",""
"1574678","67.4247","0.0014","6.1474","0.0001","11.6319","0.0003","90","","90","","90","","4821.27","0.18","273.15","","273.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H23 Gd N14 O16 -","- C12 H23 Gd N14 O16 -","- C96 H184 Gd8 N112 O128 -","8","0.5","","Zhang, Jing; Liu, Yuxiao; Wang, Fangyan; Gong, Pifu; Li, Zhaoyi; Zhang, Xinyuan; Liang, Fei; Guo, Shu; Hu, Zhanggui; Wu, Yicheng","“Three functions in one”: multifunctional rare-earth cyamelurates with magnetism, luminescence, and giant optical nonlinearity","Chemical Science","2025","16","24","10983","10989","10.1039/D5SC01230A","","","0.71073","MoKα","","0.0645","0.0566","","","0.1732","0.1808","","","","","","1.13","","","","has coordinates","300549","2025-07-06","13:47:57",""
"1574679","9.06","0.004","10.028","0.005","13.559","0.006","90","","109.52","","90","","1161.1","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H21 Br N O -","- C8 H21 Br N O -","- C32 H84 Br4 N4 O4 -","4","1","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","1.54178","CuKα","","0.0383","0.0291","","","0.0789","0.0831","","","","","","1.093","","","","has coordinates","300615","2025-07-06","14:21:56",""
"1574680","11.9427","0.0002","11.6291","0.0002","28.3098","0.0004","90","","90","","90","","3931.75","0.11","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","10-Br-b","","- C16 H38 Br2 N2 -","- C16 H38 Br2 N2 -","- C128 H304 Br16 N16 -","8","1","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","1.54184","CuKα","","0.0265","0.0238","","","0.0564","0.0578","","","","","","1.01","","","","has coordinates","300615","2025-07-06","14:21:57",""
"1574681","7.1074","0.0004","9.9391","0.0006","10.6725","0.0007","66.333","0.003","86.755","0.002","85.466","0.002","688.09","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","10-I-MeCN","","- C20 H44 I2 N4 -","- C20 H44 I2 N4 -","- C20 H44 I2 N4 -","1","0.5","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","0.71073","MoKα","","0.0303","0.0246","","","0.0524","0.0571","","","","","","1.019","","","","has coordinates","300615","2025-07-06","14:22:06",""
"1574682","18.646","0.003","13.3913","0.0014","14.6422","0.0018","90","","135.346","0.003","90","","2569.6","0.6","175","2","175","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","10-I-MeOH","","- C16 H38 I2 N2 -","- C16 H38 I2 N2 -","- C64 H152 I8 N8 -","4","0.5","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","0.71073","MoKα","","0.03","0.027","","","0.0706","0.0737","","","","","","1.038","","","","has coordinates","300615","2025-07-06","14:22:09",""
"1574683","7.9725","0.0003","10.1116","0.0002","12.9668","0.0003","90","","103.377","0.003","90","","1016.95","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","8-Br-a","","- C14 H38 Br2 N2 O2 -","- C14 H38 Br2 N2 O2 -","- C28 H76 Br4 N4 O4 -","2","0.5","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","1.54184","CuKα","","0.0166","0.016","","","0.042","0.0423","","","","","","1.024","","","","has coordinates","300615","2025-07-06","14:22:18",""
"1574684","5.8652","0.0001","12.012","0.0002","13.5766","0.0002","90","","98.999","0.002","90","","944.74","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Br-b","","- C14 H34 Br2 N2 -","- C14 H34 Br2 N2 -","- C28 H68 Br4 N4 -","2","0.5","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","1.54184","CuKα","","0.0215","0.02","","","0.0518","0.0527","","","","","","1.035","","","","has coordinates","300615","2025-07-06","14:22:21",""
"1574685","18.6422","0.0008","13.4664","0.0005","13.1607","0.001","90","","128.465","0.001","90","","2586.9","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","10-I-H2O","","- C16 H38 I2 N2 -","- C16 H38 I2 N2 -","- C64 H152 I8 N8 -","4","0.5","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","0.71073","MoKα","","0.069","0.039","","","0.1023","0.1161","","","","","","1.085","","","","has coordinates","300615","2025-07-06","14:22:33",""
"1574686","14.1034","0.0001","14.1034","0.0001","11.6089","0.0001","90","","90","","90","","2309.08","0.03","93.15","","93.15","","","","","","","","","4","P -4","P -4","81","","","","- C32 H20 N4 O2 -","- C32 H20 N4 O2 -","- C128 H80 N16 O8 -","4","1","","Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya","iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer","Chemical Science","2025","16","24","10714","10721","10.1039/D5SC02937F","","x-ray","1.54184","CuKα","","0.031","0.0276","","","0.0679","0.0693","","","","","","1.089","","","","has coordinates","300546","2025-07-06","13:47:21",""
"1574687","12.364","0.0001","35.4478","0.0002","13.1495","0.0001","90","","90","","90","","5763.12","0.07","93.15","","93.15","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C30 H17 Br N2 O3 S -","- C30 H17 Br N2 O3 S -","- C240 H136 Br8 N16 O24 S8 -","8","1","","Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya","iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer","Chemical Science","2025","16","24","10714","10721","10.1039/D5SC02937F","","x-ray","1.54184","CuKα","","0.0964","0.0888","","","0.2416","0.2487","","","","","","1.099","","","","has coordinates","300546","2025-07-06","13:47:22",""
"1574688","20.0536","0.0001","20.0536","0.0001","24.3689","0.0002","90","","90","","90","","9799.88","0.11","93.15","","93.15","","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C50 H32 B2 F8 N4 O2 Pd -","- C50 H32 B1.5 F6 N4 O2 Pd -","- C400 H256 B12 F48 N32 O16 Pd8 -","8","0.5","","Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya","iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer","Chemical Science","2025","16","24","10714","10721","10.1039/D5SC02937F","","x-ray","1.54184","CuKα","","0.0469","0.0408","","","0.1194","0.1249","","","","","","1.073","","","","has coordinates","301209","2025-07-10","11:18:53",""
"1574689","11.2428","0.0001","12.0593","0.0001","16.9374","0.0002","97.179","0.001","90.825","0.001","103.73","0.001","2210.96","0.04","93.15","","93.15","","","","","","","","","3","P -1","-P 1","2","","","","- C64 H40 N8 -","- C64 H40 N8 -","- C128 H80 N16 -","2","1","","Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya","iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer","Chemical Science","2025","16","24","10714","10721","10.1039/D5SC02937F","","x-ray","1.54184","CuKα","","0.0463","0.0393","","","0.0898","0.0995","","","","","","1.054","","","","has coordinates","300546","2025-07-06","13:47:22",""
"1574690","33.5543","0.0002","14.9016","0.0001","18.9507","0.0001","90","","91.387","0.001","90","","9472.82","0.1","93.15","","93.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 Cl4 N4 O2 -","- C52 H36 Cl4 N4 O2 -","- C416 H288 Cl32 N32 O16 -","8","1","","Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya","iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer","Chemical Science","2025","16","24","10714","10721","10.1039/D5SC02937F","","x-ray","1.54184","CuKα","","0.0643","0.0601","","","0.1689","0.1725","","","","","","1.026","","","","has coordinates","300546","2025-07-06","13:47:22",""
"1574691","9.6701","0.0006","10.4891","0.0007","11.1372","0.0007","90","","90","","90","","1129.65","0.13","249","","249","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Cheng, Yu; Zhao, Zihe; Xu, Xiaowei; Ren, Chunxiao; Wei, Xiaohui; Yang, Yanxiang; Li, Jin; Jiang, Daqiang; Zhang, Kunyu; Wang, Bin; Luo, Yi","Efficient synthesis of polylactide and copolymers under industrial conditions by multinuclear β-ketoimide zinc complexes","Polymer Chemistry","2025","16","26","3030","3040","10.1039/D4PY01486C","","x-ray","1.54178","CuKα","","0.0321","0.0305","","","0.0838","0.0852","","","","","","1.069","","","","has coordinates","301187","2025-07-06","18:02:57",""
"1574692","13.6104","0.0003","17.3943","0.0004","14.6731","0.0004","90","","100.815","0.001","90","","3412.06","0.14","193","","193","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H86 Cl2 N4 O8 Zn4 -","- C73 H86 Cl2 N4 O8 Zn4 -","- C146 H172 Cl4 N8 O16 Zn8 -","2","1","","Cheng, Yu; Zhao, Zihe; Xu, Xiaowei; Ren, Chunxiao; Wei, Xiaohui; Yang, Yanxiang; Li, Jin; Jiang, Daqiang; Zhang, Kunyu; Wang, Bin; Luo, Yi","Efficient synthesis of polylactide and copolymers under industrial conditions by multinuclear β-ketoimide zinc complexes","Polymer Chemistry","2025","16","26","3030","3040","10.1039/D4PY01486C","","x-ray","1.54178","CuKα","","0.0235","0.0227","","","0.0561","0.0565","","","","","","1.009","","","","has coordinates,has disorder","301187","2025-07-06","18:02:58",""
"1574693","13.3644","0.0006","16.4964","0.0007","17.4218","0.0007","76.404","0.002","85.521","0.002","84.815","0.002","3711.6","0.3","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C83 H84 Cl2 N6 O10 Zn4 -","- C83 H84 Cl2 N6 O10 Zn4 -","- C166 H168 Cl4 N12 O20 Zn8 -","2","1","","Cheng, Yu; Zhao, Zihe; Xu, Xiaowei; Ren, Chunxiao; Wei, Xiaohui; Yang, Yanxiang; Li, Jin; Jiang, Daqiang; Zhang, Kunyu; Wang, Bin; Luo, Yi","Efficient synthesis of polylactide and copolymers under industrial conditions by multinuclear β-ketoimide zinc complexes","Polymer Chemistry","2025","16","26","3030","3040","10.1039/D4PY01486C","","x-ray","1.54178","CuKα","","0.0396","0.0348","","","0.0968","0.1002","","","","","","1.068","","","","has coordinates,has disorder","301187","2025-07-06","18:02:58",""
"1574694","7.4246","0.0004","11.3666","0.0006","28.6369","0.0017","90","","90","","90","","2416.7","0.2","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 B N2 -","- C33 H25 B N2 -","- C132 H100 B4 N8 -","4","1","","Wu, Hao; Shi, Yi-Zhong; Li, Mo-Yuan; Fan, Xiao-Chun; Wang, Hui; Zhang, Tong-Yuan; Yu, Jia; Wang, Kai; Zhang, Xiao-Hong","Geometric control of multi-resonance backbone DABNA for narrowband deep-blue electroluminescence.","Materials horizons","2025","12","15","5839","5845","10.1039/d5mh00649j","","","0.71073","MoKα","","0.0972","0.0557","","","0.1126","0.1353","","","","","","1.034","","","","has coordinates","301648","2025-08-05","22:36:31",""
"1574695","13.12","0.003","14.55","0.003","22.23","0.004","90","","97.27","0.03","90","","4209.5","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H64 Cl2 O3 -","- C45.9999 H63.9998 Cl1.9999 O3 -","- C184 H255.999 Cl7.9996 O12 -","4","1","","Hillier, Bethany K.; de Clercq, Damon M.; Bortolussi, Stephen D. S.; Capomolla, Simona S.; Nielsen, Michael P.; Młodzikowska-Pieńko, Katarzyna; Gershoni-Poranne, Renana; Schmidt, Timothy W.; Peeks, Martin D.","Photoexcited and ground-state diradical(oid) character in a triquino[3]radialene","Chemical Science","2025","16","25","11331","11338","10.1039/D5SC01676B","","","0.71073","Synchrotron","","0.0589","0.0559","","","0.157","0.1594","","","","","","1.055","","","","has coordinates,has disorder","300618","2025-07-06","14:23:09",""
"1574696","7.3138","0.0007","7.3138","0.0007","7.3138","0.0007","90","","90","","90","","391.23","0.06","464.99","0.15","464.99","0.15","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C14 I3 Rb -","- C14 I3 Rb -","- C14 I3 Rb -","1","0.0208333","","Li, Kai; Li, Zhi-Gang; Gong, Yong-Ji; Chen, Yong-Qiang; Li, Wei","Luminescent 3D chiral hybrid metal-halide perovskites for piezoelectric energy harvesting and ultrasound detection.","Materials horizons","2025","12","16","6183","6188","10.1039/d5mh00550g","","x-ray","1.54184","CuKα","","0.0499","0.048","","","0.1254","0.1282","","","","","","1.218","","","","has coordinates","302799","2025-10-06","10:43:34",""
"1574697","7.3079","0.0002","7.3079","0.0002","7.3079","0.0002","90","","90","","90","","390.281","0.019","465","","465","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C14 I3 Rb -","- C14 I3 Rb -","- C14 I3 Rb -","1","0.0208333","","Li, Kai; Li, Zhi-Gang; Gong, Yong-Ji; Chen, Yong-Qiang; Li, Wei","Luminescent 3D chiral hybrid metal-halide perovskites for piezoelectric energy harvesting and ultrasound detection.","Materials horizons","2025","12","16","6183","6188","10.1039/d5mh00550g","","","0.71073","MoKα","","0.0438","0.0403","","","0.1359","0.1452","","","","","","1.21","","","","has coordinates","302799","2025-10-06","10:43:36",""
"1574698","10.0749","0.0001","10.0749","0.0001","25.0784","0.0004","90","","90","","120","","2204.51","0.05","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C7 H16 I3 N2 Rb -","- C7 H16 I3 N2 Rb -","- C42 H96 I18 N12 Rb6 -","6","1","","Li, Kai; Li, Zhi-Gang; Gong, Yong-Ji; Chen, Yong-Qiang; Li, Wei","Luminescent 3D chiral hybrid metal-halide perovskites for piezoelectric energy harvesting and ultrasound detection.","Materials horizons","2025","12","16","6183","6188","10.1039/d5mh00550g","","","1.54184","CuKα","","0.0312","0.031","","","0.0831","0.0833","","","","","","1.089","","","","has coordinates","302799","2025-10-06","10:43:36",""
"1574699","10.0809","0.0002","10.0809","0.0002","25.1213","0.0007","90","","90","","120","","2210.91","0.09","150","0.1","150","0.1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C7 H16 I3 N2 Rb -","- C7 H16 I3 N2 Rb -","- C42 H96 I18 N12 Rb6 -","6","1","","Li, Kai; Li, Zhi-Gang; Gong, Yong-Ji; Chen, Yong-Qiang; Li, Wei","Luminescent 3D chiral hybrid metal-halide perovskites for piezoelectric energy harvesting and ultrasound detection.","Materials horizons","2025","12","16","6183","6188","10.1039/d5mh00550g","","x-ray","0.71073","MoKα","","0.0471","0.0426","","","0.1175","0.1203","","","","","","1.074","","","","has coordinates","302799","2025-10-06","10:43:36",""
"1574700","12.1999","0.0002","8.1197","0.0002","22.711","0.0005","90","","103.927","0.001","90","","2183.61","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Br N O2 -","- C26 H24 Br N O2 -","- C104 H96 Br4 N4 O8 -","4","1","","Du, Hai-Wu; Jia, Jun-Song; Chen, Xiao-Yi; Yuan, Zhang-Yin; Lin, Jia-Ni; Li, Yu-Long; Yu, Qiong; Shu, Wei","Convergent and divergent synthesis of dihydroisoquinoline-1,4-diones enabled by a photocatalytic skeleton-editing [4 + 2] strategy","Chemical Science","2025","16","26","11833","11840","10.1039/D5SC00665A","","","1.54178","CuKα","","0.0235","0.0231","","","0.0601","0.0603","","","","","","1.069","","","","has coordinates","300561","2025-07-06","13:58:30",""
"1574701","13.8148","0.0007","17.2854","0.0008","19.668","0.0009","79.694","0.002","74.868","0.002","68.162","0.002","4190.8","0.4","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C208 H200 N8 O16 -","8","4","","Du, Hai-Wu; Jia, Jun-Song; Chen, Xiao-Yi; Yuan, Zhang-Yin; Lin, Jia-Ni; Li, Yu-Long; Yu, Qiong; Shu, Wei","Convergent and divergent synthesis of dihydroisoquinoline-1,4-diones enabled by a photocatalytic skeleton-editing [4 + 2] strategy","Chemical Science","2025","16","26","11833","11840","10.1039/D5SC00665A","","x-ray","1.54178","CuKα","","0.0662","0.0486","","","0.1305","0.1463","","","","","","1.028","","","","has coordinates,has disorder","300561","2025-07-06","13:58:36",""
"1574702","9.2113","0.0008","13.5991","0.0011","17.3584","0.0014","98.176","0.001","93.192","0.001","106.95","0.001","2047.9","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 O7 P2 S2 -","- C48 H42 O7 P2 S2 -","- C96 H84 O14 P4 S4 -","2","1","","Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng","Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture","Chemical Science","2025","16","26","11858","11869","10.1039/D5SC02039E","","","0.71073","MoKα","","0.0674","0.0452","","","0.1171","0.1335","","","","","","0.993","","","","has coordinates","300563","2025-07-06","13:59:19",""
"1574703","13.4375","0.0015","19.787","0.002","18.4255","0.0019","90","","106.827","0.002","90","","4689.4","0.9","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H55 O11 P2 S2 -","- C50 H55 O11 P2 S2 -","- C200 H220 O44 P8 S8 -","4","1","","Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng","Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture","Chemical Science","2025","16","26","11858","11869","10.1039/D5SC02039E","","","0.71073","MoKα","","0.0509","0.0405","","","0.1077","0.1149","","","","","","1.03","","","","has coordinates,has disorder","300563","2025-07-06","13:59:28",""
"1574704","10.5835","0.0013","14.1726","0.0018","17.216","0.002","70.458","0.002","77.061","0.002","71.936","0.002","2292.7","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H98 O15 P4 S4 -","- C104 H98 O15 P4 S4 -","- C104 H98 O15 P4 S4 -","1","0.5","","Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng","Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture","Chemical Science","2025","16","26","11858","11869","10.1039/D5SC02039E","","","0.71073","MoKα","","0.0823","0.0567","","","0.1474","0.1682","","","","","","1.043","","","","has coordinates,has disorder","300563","2025-07-06","13:59:28",""
"1574705","11.9946","0.001","20.218","0.0017","17.2493","0.0014","90","","99.561","0.001","90","","4125","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C188 H174 O33 P8 S8 -","- C188 H174 O33 P8 S8 -","- C188 H174 O33 P8 S8 -","1","0.25","","Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng","Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture","Chemical Science","2025","16","26","11858","11869","10.1039/D5SC02039E","","","0.71073","MoKα","","0.0743","0.0463","","","0.1141","0.1302","","","","","","1.033","","","","has coordinates,has disorder","300563","2025-07-06","13:59:30",""
"1574706","19.0857","0.0003","5.32972","0.00008","31.1946","0.0004","90","","92.5193","0.0014","90","","3170.09","0.08","139.98","0.1","139.98","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O3 S -","- C18 H18 O3 S -","- C144 H144 O24 S8 -","8","1","","Robert, Emma G. L.; Waser, Jerome","Enantioselective synthesis of 1,2-disubstituted thiocyclobutanes via Michael addition","Chemical Science","2025","16","26","12115","12121","10.1039/D5SC01727K","","x-ray","1.54184","CuKα","","0.0438","0.0365","","","0.0948","0.0997","","","","","","1.04","","","","has coordinates,has disorder","300571","2025-07-06","14:03:32",""
"1574707","5.01559","0.00008","9.23324","0.00015","32.6513","0.0005","90","","90","","90","","1512.09","0.04","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O5 S -","- C16 H17 N O5 S -","- C64 H68 N4 O20 S4 -","4","1","","Robert, Emma G. L.; Waser, Jerome","Enantioselective synthesis of 1,2-disubstituted thiocyclobutanes via Michael addition","Chemical Science","2025","16","26","12115","12121","10.1039/D5SC01727K","","x-ray","1.54184","CuKα","","0.0411","0.0342","","","0.0835","0.0869","","","","","","1.047","","","","has coordinates","300571","2025-07-06","14:03:34",""
"1574708","10.8839","0.0005","12.7424","0.0006","14.5075","0.0006","92.618","0.001","111.642","0.001","95.234","0.001","1855.52","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H59 Lu N4 O Si2 -","- C30 H59 Lu N4 O Si2 -","- C60 H118 Lu2 N8 O2 Si4 -","2","1","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.0885","0.0509","","","0.0802","0.0913","","","","","","1.076","","","","has coordinates,has disorder","300568","2025-07-06","14:02:19",""
"1574709","10.8997","0.0006","12.7508","0.0007","14.5651","0.0008","92.614","0.002","111.711","0.002","95.266","0.002","1865.78","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H59 N4 O Si2 Yb -","- C30 H59 N4 O Si2 Yb -","- C60 H118 N8 O2 Si4 Yb2 -","2","1","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.0381","0.0276","","","0.063","0.0655","","","","","","1.033","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574710","19.6499","0.0006","12.8542","0.0006","14.7748","0.0006","90","","90","","90","","3731.9","0.3","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H55 B10 Dy N4 O -","- C30.5 H55 B10 Dy N4 O -","- C122 H220 B40 Dy4 N16 O4 -","4","0.5","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","x-ray","0.71073","MoKα","","0.1577","0.1099","","","0.2136","0.2349","","","","","","1.222","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574711","19.576","0.002","12.8163","0.0015","14.6969","0.0016","90","","90","","90","","3687.3","0.7","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H55 B10 Lu N4 O -","- C31 H55 B10 Lu N4 O -","- C124 H220 B40 Lu4 N16 O4 -","4","0.5","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","x-ray","0.71073","MoKα","","0.1947","0.1094","","","0.2263","0.2721","","","","","","1.129","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574712","10.9104","0.0015","12.7977","0.0018","14.5426","0.0019","92.761","0.004","111.614","0.004","95.34","0.004","1872.1","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H59 Er N4 O Si2 -","- C30 H59 Er N4 O Si2 -","- C60 H118 Er2 N8 O2 Si4 -","2","1","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.0768","0.052","","","0.1213","0.1377","","","","","","1.06","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574713","10.9337","0.0003","12.8057","0.0005","14.5859","0.0006","92.758","0.002","111.668","0.001","95.442","0.001","1881.72","0.12","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H59 N4 O Si2 Y -","- C30 H59 N4 O Si2 Y -","- C60 H118 N8 O2 Si4 Y2 -","2","1","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.0992","0.0482","","","0.1003","0.1216","","","","","","1.014","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574714","10.9353","0.0007","12.829","0.0008","14.6085","0.0011","92.672","0.003","111.785","0.002","95.539","0.002","1886.6","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H59 Dy N4 O Si2 -","- C30 H59 Dy N4 O Si2 -","- C60 H118 Dy2 N8 O2 Si4 -","2","1","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.0658","0.043","","","0.1004","0.1128","","","","","","1.029","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574715","19.6514","0.0006","12.8413","0.0005","14.7801","0.0005","90","","90","","90","","3729.8","0.2","292","","292","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H55 B10 N4 O Y -","- C31 H55 B10 N4 O Y -","- C124 H220 B40 N16 O4 Y4 -","4","0.5","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.1678","0.1205","","","0.2719","0.2986","","","","","","1.129","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574716","19.6191","0.001","12.8389","0.0007","14.7285","0.0008","90","","90","","90","","3709.9","0.3","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H55 B10 N4 O Yb -","- C31 H55 B10 N4 O Yb -","- C124 H220 B40 N16 O4 Yb4 -","4","0.5","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.1659","0.1309","","","0.2729","0.2931","","","","","","1.216","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574717","19.5","0.004","12.603","0.003","14.677","0.003","90","","90","","90","","3607","1.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H55 B10 Er N4 O -","- C31 H55 B10 Er N4 O -","- C124 H220 B40 Er4 N16 O4 -","4","0.5","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","x-ray","0.71073","MoKα","","0.1584","0.1478","","","0.2755","0.2815","","","","","","1.345","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574718","14.5669","0.0008","10.8981","0.0006","19.4595","0.0009","90","","98.782","0.005","90","","3053","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4,4'-bipyridin-1-ium) <i>cis</i>-bis(1,2-dicyano-2-sulfidoethene-1-sulfinato-κ^2^<i>S</i>,<i>S</i>')platinate(2-)","","- C28 H18 N8 O4 Pt S4 -","- C28 H18 N8 O4 Pt S4 -","- C112 H72 N32 O16 Pt4 S16 -","4","0.5","BH4095","Welton, Claire E.; Reinheimer, Eric W.; Smucker, Bradley W.","Bis(4,4′-bipyridin-1-ium) cis-bis(1,2-dicyano-2-sulfidoethene-1-sulfinato-κ2 S,S′)platinate(2−)","IUCrData","2025","10","5","x250383","","10.1107/S2414314625003839","","x-ray","0.71073","MoKα","","0.0505","0.0306","","","0.0612","0.0663","","","","","","1.043","","","","has coordinates,has disorder","300370","2025-07-05","10:15:23",""
"1574719","10.8872","0.0003","8.5462","0.0003","32.7304","0.001","90","","90","","90","","3045.37","0.16","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C152 H144 O24 -","8","1","","Tang, Si-Yuan; Wang, Zhan-Jie; Wu, Jin-Jiao; Xing, Zhi-Xi; Du, Ze-Yi; Huang, Huan-Ming","Photocatalytic synthesis of 2-oxabicyclo[2.1.1]hexanes: cobalt-enhanced efficiency","Chemical Science","2025","16","26","11908","11917","10.1039/D5SC02836A","","","1.34138","GaKα","","0.0615","0.0538","","","0.1185","0.1224","","","","","","1.112","","","","has coordinates","300572","2025-07-06","14:03:42",""
"1574720","8.2052","0.0001","10.8597","0.0002","16.6641","0.0003","81.45","0.001","76.195","0.002","82.52","0.001","1419","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H35 B I2 N2 -","- C29 H35 B I2 N2 -","- C58 H70 B2 I4 N4 -","2","1","","Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation","Chemical Science","2025","16","25","11637","11643","10.1039/D5SC03150H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0247","0.0233","","","0.06","0.0607","","","","","","1.054","","","","has coordinates,has disorder","300620","2025-07-06","14:26:37",""
"1574721","7.8531","0.0001","15.449","0.0001","37.9294","0.0003","90","","91.692","0.001","90","","4599.68","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H62 B2 Br2 N4 -","- C51 H62 B2 Br2 N4 -","- C204 H248 B8 Br8 N16 -","4","1","","Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation","Chemical Science","2025","16","25","11637","11643","10.1039/D5SC03150H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0436","0.0388","","","0.0992","0.1011","","","","","","1.139","","","","has coordinates","300620","2025-07-06","14:26:38",""
"1574722","13.9101","0.0002","15.7838","0.0002","17.893","0.0003","90","","104.378","0.002","90","","3805.44","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 B2 N4 -","- C44 H54 B2 N4 -","- C176 H216 B8 N16 -","4","1","","Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation","Chemical Science","2025","16","25","11637","11643","10.1039/D5SC03150H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0775","0.0618","","","0.1687","0.1802","","","","","","1.048","","","","has coordinates","300620","2025-07-06","14:26:38",""
"1574723","14.1122","0.0002","14.2169","0.0002","16.813","0.0002","97.552","0.001","101.359","0.001","101.845","0.001","3184.39","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H43 B N4 -","- C31 H43 B N4 -","- C124 H172 B4 N16 -","4","2","","Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation","Chemical Science","2025","16","25","11637","11643","10.1039/D5SC03150H","","x-ray","1.54184","CuKα","K-L~2,3~","0.068","0.053","","","0.1428","0.1602","","","","","","1.121","","","","has coordinates","300620","2025-07-06","14:26:39",""
"1574724","18.9063","0.0001","18.9063","0.0001","23.2427","0.0003","90","","90","","90","","8308.06","0.12","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C44 H56 B2 N4 -","- C44 H56 B2 N4 -","- C352 H448 B16 N32 -","8","1","","Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation","Chemical Science","2025","16","25","11637","11643","10.1039/D5SC03150H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0482","0.0434","","","0.116","0.1197","","","","","","1.047","","","","has coordinates","300620","2025-07-06","14:26:39",""
"1574725","15.6024","0.0003","21.2733","0.0002","21.6009","0.0003","90","","93.274","0.002","90","","7157.95","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H82 B3 I N6 -","- C66 H82 B3 I N6 -","- C264 H328 B12 I4 N24 -","4","1","","Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation","Chemical Science","2025","16","25","11637","11643","10.1039/D5SC03150H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0907","0.0707","","","0.1936","0.2109","","","","","","1.037","","","","has coordinates,has disorder","300620","2025-07-06","14:26:39",""
"1574726","5.2172","0.0002","8.9168","0.0003","13.0925","0.0004","79.389","0.003","78.628","0.003","76.805","0.003","575.14","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","tert-butyl benzo[d]isoxazol-5-ylcarbamate","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C24 H28 N4 O6 -","2","1","","Paschke, Ann-Sophie K.; Schiele, Stefanie; Pinard, Camille; Sandrini, Filippo; Morandi, Bill","Chemodivergent C-to-N atom swap from benzofurans to benzisoxazoles and benzoxazoles","Chemical Science","2025","16","25","11464","11467","10.1039/D5SC02032H","","x-ray","1.54184","CuKα","","0.0577","0.0488","","","0.1333","0.1389","","","","","","1.038","","","","has coordinates","300625","2025-07-06","14:27:35",""
"1574727","5.2939","0.0002","10.5894","0.0003","11.1328","0.0003","102.318","0.002","100.925","0.002","94.671","0.002","593.83","0.03","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","tert-butyl benzofuran-5-ylcarbamate","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","1","","Paschke, Ann-Sophie K.; Schiele, Stefanie; Pinard, Camille; Sandrini, Filippo; Morandi, Bill","Chemodivergent C-to-N atom swap from benzofurans to benzisoxazoles and benzoxazoles","Chemical Science","2025","16","25","11464","11467","10.1039/D5SC02032H","","x-ray","1.54184","CuKα","","0.0515","0.0425","","","0.1145","0.1197","","","","","","1.029","","","","has coordinates","300625","2025-07-06","14:27:35",""
"1574728","10.4696","0.0003","11.1571","0.0003","7.1041","0.0002","90","","108.043","0.003","90","","789.03","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl benzo[d]isoxazole-5-carboxylate","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C36 H28 N4 O12 -","4","1","","Paschke, Ann-Sophie K.; Schiele, Stefanie; Pinard, Camille; Sandrini, Filippo; Morandi, Bill","Chemodivergent C-to-N atom swap from benzofurans to benzisoxazoles and benzoxazoles","Chemical Science","2025","16","25","11464","11467","10.1039/D5SC02032H","","x-ray","1.54184","CuKα","","0.0414","0.0372","","","0.1013","0.1045","","","","","","1.067","","","","has coordinates","300625","2025-07-06","14:27:35",""
"1574729","15.931","0.0009","15.9306","0.0011","18.5289","0.0013","90","","89.979","0.003","90","","4702.5","0.5","100","","100","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C45 H36 Cl4 F15 Fe N P2 -","- C45 H36 Cl4 F15 Fe N P2 -","- C180 H144 Cl16 F60 Fe4 N4 P8 -","4","2","","Sievers, Robin; Hartmann, Nick; Riemann, Paulin S.; Streit, Tim-Niclas; Malischewski, Moritz","Stimulus-responsive metallocenes: a photo/thermal switch enabled by the perfluorinated Cp* ligand","Chemical Science","2025","16","26","11949","11953","10.1039/D5SC02784E","","","0.71073","MoKα","","0.0681","0.0563","","","0.1714","0.1967","","","","","","0.842","","","","has coordinates,has disorder","300562","2025-07-06","13:59:01",""
"1574730","7.3204","0.0003","15.6095","0.0007","14.6724","0.0007","90","","90.01","0.02","90","","1676.58","0.13","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H5 F15 Ru -","- C15 H5 F15 Ru -","- C60 H20 F60 Ru4 -","4","1","","Sievers, Robin; Hartmann, Nick; Riemann, Paulin S.; Streit, Tim-Niclas; Malischewski, Moritz","Stimulus-responsive metallocenes: a photo/thermal switch enabled by the perfluorinated Cp* ligand","Chemical Science","2025","16","26","11949","11953","10.1039/D5SC02784E","","x-ray","0.71073","MoKα","","0.0993","0.0785","","","0.1969","0.2176","","","","","","1.091","","","","has coordinates,has disorder","300562","2025-07-06","13:59:03",""
"1574731","11.6437","0.001","11.1515","0.0009","12.204","0.0011","90","","116.484","0.003","90","","1418.3","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H16 Cl2 F15 N3 Ru -","- C22 H16 Cl2 F15 N3 Ru -","- C44 H32 Cl4 F30 N6 Ru2 -","2","1","","Sievers, Robin; Hartmann, Nick; Riemann, Paulin S.; Streit, Tim-Niclas; Malischewski, Moritz","Stimulus-responsive metallocenes: a photo/thermal switch enabled by the perfluorinated Cp* ligand","Chemical Science","2025","16","26","11949","11953","10.1039/D5SC02784E","","","0.71073","MoKα","","0.05","0.0415","","","0.0948","0.1046","","","","","","1.089","","","","has coordinates,has disorder","300562","2025-07-06","13:59:04",""
"1574732","23.294","0.008","16.771","0.006","8.709","0.003","90","","90","","90","","3402","2","273","2","273","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C40 H22 N4 -","- C40 H22 N4 -","- C160 H88 N16 -","4","0.5","","Dutta, Madhusudan; Chatterjee, Abhijit; Deka, Nilotpal; Tanwar, Riteeka; Mishra, Vishnu; Saha, Arindam; Mandal, Pankaj; Boomishankar, Ramamoorthy; Hazra, Partha","Steric hindrance modulated efficient thermally activated delayed fluorescence with non-linear optical, ferroelectric and piezoelectric properties","Chemical Science","2025","16","26","11989","11998","10.1039/D5SC02107C","","","0.71073","MoKα","","0.1729","0.0653","","","0.1748","0.2485","","","","","","0.837","","","","has coordinates","300570","2025-07-06","14:03:13",""
"1574733","16.3865","0.0011","10.2297","0.0006","35.16","0.002","90","","103.138","0.002","90","","5739.6","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H54 N4 -","- C56 H54 N4 -","- C224 H216 N16 -","4","1","","Dutta, Madhusudan; Chatterjee, Abhijit; Deka, Nilotpal; Tanwar, Riteeka; Mishra, Vishnu; Saha, Arindam; Mandal, Pankaj; Boomishankar, Ramamoorthy; Hazra, Partha","Steric hindrance modulated efficient thermally activated delayed fluorescence with non-linear optical, ferroelectric and piezoelectric properties","Chemical Science","2025","16","26","11989","11998","10.1039/D5SC02107C","","","0.71073","MoKα","","0.1583","0.0856","","","0.1963","0.2287","","","","","","1.023","","","","has coordinates","300570","2025-07-06","14:03:14",""
"1574734","16.2336","0.0013","17.0377","0.0012","17.1281","0.0014","66.243","0.002","67.979","0.002","89.261","0.002","3966","0.5","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C88 H50 N8 -","- C88 H50 N8 -","- C176 H100 N16 -","2","1","","Dutta, Madhusudan; Chatterjee, Abhijit; Deka, Nilotpal; Tanwar, Riteeka; Mishra, Vishnu; Saha, Arindam; Mandal, Pankaj; Boomishankar, Ramamoorthy; Hazra, Partha","Steric hindrance modulated efficient thermally activated delayed fluorescence with non-linear optical, ferroelectric and piezoelectric properties","Chemical Science","2025","16","26","11989","11998","10.1039/D5SC02107C","","","0.71073","MoKα","","0.1013","0.0738","","","0.2182","0.2445","","","","","","1.0879","","","","has coordinates,has disorder","300570","2025-07-06","14:03:14",""
"1574735","22.1999","0.0003","10.492","0.0001","21.9787","0.0003","90","","98.613","0.001","90","","5061.58","0.11","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 N4 -","- C33 H31 N4 -","- C264 H248 N32 -","8","1","","Bartos, Paulina; Szamweber, Patrycja; Camargo, Bruno; Pietrzak, Anna; Kaszyński, Piotr","Photochemical synthesis of carbazole-fused Blatter radicals: effective spin injection to the carbazole system","Chemical Science","2025","16","26","12139","12147","10.1039/D5SC01182E","","","1.54184","CuKα","","0.0461","0.0384","","","0.0966","0.1011","","","","","","1.055","","","","has coordinates,has disorder","300573","2025-07-06","14:03:54",""
"1574736","7.4588","0.0004","23.524","0.0012","19.4019","0.001","90","","92.652","0.004","90","","3400.6","0.3","99.9","0.7","99.9","0.7","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H14 N4 O -","- C25 H14 N4 O -","- C200 H112 N32 O8 -","8","2","","Bartos, Paulina; Szamweber, Patrycja; Camargo, Bruno; Pietrzak, Anna; Kaszyński, Piotr","Photochemical synthesis of carbazole-fused Blatter radicals: effective spin injection to the carbazole system","Chemical Science","2025","16","26","12139","12147","10.1039/D5SC01182E","","","1.54184","CuKα","","0.0948","0.0616","","","0.1539","0.1752","","","","","","1.013","","","","has coordinates","300573","2025-07-06","14:03:55",""
"1574737","12.6865","0.0004","13.1676","0.0005","16.5859","0.0006","82.572","0.003","88.483","0.003","63.757","0.003","2462.78","0.16","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H171 Ca2 N7 O -","- C106 H171 Ca2 N7 O -","- C106 H171 Ca2 N7 O -","1","0.5","","Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd","Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon","Chemical Science","2025","16","26","12058","12067","10.1039/D5SC02829A","","x-ray","1.54184","CuKα","","0.0553","0.0494","","","0.1363","0.1425","","","","","","1.022","","","","has coordinates,has disorder","300575","2025-07-06","14:04:49",""
"1574738","13.598","0.0004","14.8279","0.0005","21.9613","0.0007","75.108","0.003","77.232","0.003","64.237","0.003","3823.4","0.2","100","0.5","100","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C82 H130 Ca N5 -","- C79 H123 Ca N5 -","- C158 H246 Ca2 N10 -","2","1","","Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd","Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon","Chemical Science","2025","16","26","12058","12067","10.1039/D5SC02829A","","x-ray","1.54184","CuKα","","0.0509","0.0406","","","0.0955","0.1024","","","","","","1.022","","","","has coordinates,has disorder","300575","2025-07-06","14:04:50",""
"1574739","13.482","0.0003","16.3223","0.0005","20.27","0.0005","68.531","0.002","87.284","0.002","76.379","0.002","4030.6","0.19","100","0.4","100","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C87 H139 Ca N5 -","- C81 H125 Ca N5 -","- C162 H250 Ca2 N10 -","2","1","","Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd","Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon","Chemical Science","2025","16","26","12058","12067","10.1039/D5SC02829A","","x-ray","1.54184","CuKα","","0.0628","0.058","","","0.1628","0.1683","","","","","","1.069","","","","has coordinates,has disorder","300575","2025-07-06","14:04:50",""
"1574740","17.1763","0.0003","17.4722","0.0002","26.166","0.0003","90","","108.952","0.002","90","","7426.9","0.2","100","0.6","100","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C83 H123 Ca N5 -","- C83 H123 Ca N5 -","- C332 H492 Ca4 N20 -","4","1","","Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd","Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon","Chemical Science","2025","16","26","12058","12067","10.1039/D5SC02829A","","x-ray","1.54184","CuKα","","0.0515","0.0427","","","0.1048","0.1119","","","","","","1.025","","","","has coordinates,has disorder","300575","2025-07-06","14:04:50",""
"1574741","18.2798","0.0002","18.3492","0.0002","27.9435","0.0003","77.99","0.001","77.694","0.001","75.337","0.001","8740.62","0.17","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C184 H294 Ca4 N8 O9 -","- C184.001 H294.001 Ca4 N8 O9 -","- C368.002 H588.003 Ca8 N16 O18 -","2","1","","Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd","Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon","Chemical Science","2025","16","26","12058","12067","10.1039/D5SC02829A","","x-ray","1.54184","CuKα","","0.0741","0.0648","","","0.1776","0.1878","","","","","","1.017","","","","has coordinates,has disorder","300575","2025-07-06","14:04:50",""
"1574742","17.1268","0.0007","20.8958","0.0009","27.5204","0.0012","90","","90","","90","","9849","0.7","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C49 H47 Fe3 N2 O18 -","- C49 H47 Fe3 N2 O18 -","- C392 H376 Fe24 N16 O144 -","8","1","","Dhillon, Arshminder Kaur; Jhilta, Agrim; Ladhi, Ritu; Bagdwal, Harshita; Singh, Ashi; Verma, Rahul K.; Singh, Monika","A biomimetic Fe(III)-metal-organic framework nanosphere-based dual modal probe for aqueous and intracellular sensing of nicotine and its metabolite cotinine.","Nanoscale","2025","17","24","14630","14636","10.1039/d5nr00785b","","","0.71073","MoKα","","0.0593","0.0431","","","0.1094","0.124","","","","","","1.068","","","","has coordinates","301022","2025-07-06","17:24:22",""
"1574743","20.6843","0.0017","8.2612","0.0006","15.1611","0.0013","90","","117.168","0.007","90","","2304.9","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","Rh-2","","","- C18 H29 B F4 N3 Rh -","- C18 H29 B F4 N3 Rh -","- C72 H116 B4 F16 N12 Rh4 -","4","1","","Böth, André; Kaltwasser, Florian; Priedigkeit, Christian; Atwi, Boshra; Frey, Wolfgang; Buchmeiser, Michael R.; Tallarek, Ulrich","Influence of the supported ionic-liquid layer thickness on Z-selectivity in 1-alkyne hydrosilylation under continuous flow","Catalysis Science & Technology","2025","15","13","4012","4023","10.1039/D5CY00436E","","","0.71073","MoKα","","0.0359","0.0293","","","0.0669","0.0702","","","","","","1.056","","","","has coordinates,has disorder","300388","2025-07-06","12:37:52",""
"1574744","9.756","0.005","11.147","0.005","13.527","0.007","75.446","0.016","83.737","0.016","73.626","0.017","1365","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Rh-1","","","- C26 H31 B Cl2 F4 N3 Rh -","- C26 H31 B Cl2 F4 N3 Rh -","- C52 H62 B2 Cl4 F8 N6 Rh2 -","2","1","","Böth, André; Kaltwasser, Florian; Priedigkeit, Christian; Atwi, Boshra; Frey, Wolfgang; Buchmeiser, Michael R.; Tallarek, Ulrich","Influence of the supported ionic-liquid layer thickness on Z-selectivity in 1-alkyne hydrosilylation under continuous flow","Catalysis Science & Technology","2025","15","13","4012","4023","10.1039/D5CY00436E","","","0.71073","MoKα","","0.1744","0.0835","","","0.1421","0.1602","","","","","","1.04","","","","has coordinates","300388","2025-07-06","12:37:53",""
"1574745","26.4619","0.0003","6.3388","0.0001","26.1419","0.0003","90","","101.877","0.001","90","","4291.08","0.1","300.69","0.1","300.69","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 N2 O4 -","- C20 H34 N2 O4 -","- C160 H272 N16 O32 -","8","1","","Zhang, Fangqing; Xu, Chun; Zhang, Zichun; Yang, Zhuang; Peng, Tao; Shao, Wen; Feng, Xiaoming; Liu, Yangbin","Synthesis of polysubstituted cyclobutanes through a photoredox strain-release/[3,3]-rearrangement cascade","Chemical Science","2025","16","25","11508","11518","10.1039/D5SC01431J","","x-ray","1.54184","CuKα","","0.0784","0.0725","","","0.2273","0.2345","","","","","","1.078","","","","has coordinates","300617","2025-07-06","14:22:57",""
"1574746","9.7265","0.0002","14.7461","0.0002","12.5014","0.0002","90","","108.624","0.002","90","","1699.16","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Zhang, Fangqing; Xu, Chun; Zhang, Zichun; Yang, Zhuang; Peng, Tao; Shao, Wen; Feng, Xiaoming; Liu, Yangbin","Synthesis of polysubstituted cyclobutanes through a photoredox strain-release/[3,3]-rearrangement cascade","Chemical Science","2025","16","25","11508","11518","10.1039/D5SC01431J","","x-ray","1.54184","CuKα","","0.0408","0.0376","","","0.0956","0.0979","","","","","","1.037","","","","has coordinates,has disorder","300617","2025-07-06","14:22:57",""
"1574747","33.347","0.0004","33.347","0.0004","33.347","0.0004","90","","90","","90","","37082.6","0.8","100","","100","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C320 H480 Au Cu56 O36 S44 -","- C320 H480 Au Cu55.9996 O36 S44 -","- C1280 H1920 Au4 Cu223.998 O144 S176 -","4","0.166667","","Gratious, Saniya; Li, Bo; Mondal, Dipanjana; Kumar, Alok; Varghese, Dayona Aleyamma; Thomas, Jibin; Jiang, De-en; Kamble, Vinayak; Mandal, Sukhendu","Identifying the superatomic AuCu56 nanocluster through a ligand-exchange coupled metal-exchange induced transformation","Chemical Science","2025","16","26","11849","11857","10.1039/D5SC02515J","","","0.71073","MoKα","","0.1212","0.0825","","","0.1909","0.2206","","","","","","1.055","","","","has coordinates,has disorder","300574","2025-07-06","14:04:24",""
"1574748","20.8735","0.0002","21.7898","0.0002","23.7135","0.0003","63.3967","0.0011","73.8571","0.0011","62.094","0.0012","8490.27","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","[Ce24O28(OH)8(OOCC6H4(4-F))30(py)4]2(py)12","","- C340 H254 Ce24 F30 N26 O96 -","- C340 H254 Ce24 F30 N26 O96 -","- C340 H254 Ce24 F30 N26 O96 -","1","0.5","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.0537","0.0388","","0.1209","0.1009","0.1209","","","","","","1.0426","","","","has coordinates,has disorder","300619","2025-07-06","14:26:04",""
"1574749","26.0526","0.0005","42.5286","0.0007","35.9018","0.0006","90","","90","","90","","39778.5","1.2","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","[Ce24O28(OH)8(OOCC10H7)30(py)4]","","- C400 H284 Ce24 N14 O96 -","- C400 H284 Ce24 N14 O96 -","- C1600 H1136 Ce96 N56 O384 -","4","0.5","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.1581","0.0777","","0.2566","0.1886","0.2566","","","","","","0.992","","","","has coordinates","300619","2025-07-06","14:26:04",""
"1574750","14.1138","0.0001","14.1138","0.0001","93.9953","0.0006","90","","90","","120","","16215.3","0.19","100","","100","","","","","","","","","5","P 65","P 65","170","","[Ce(OOCCH2tBu)3(py)]","","- C92 H152 Ce4 N4 O24 -","- C92 H152 Ce4 N4 O24 -","- C552 H912 Ce24 N24 O144 -","6","1","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.1021","0.0978","","0.2642","0.2617","0.2642","","","","","","1.0644","","","","has coordinates","300619","2025-07-06","14:26:04",""
"1574751","20.7633","0.000014","21.881899","0.000014","38.498501","0.000017","84.238","0.0018","82.416","0.0018","84.442","0.0018","17188.7","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","[Ce24O28(OH)8(OOCC6H4(4-F))30(py)4]2(py)12","","- C260 H170 Ce24 F30 N10 O96 -","- C260 H170 Ce24 F30 N10 O96 -","- C520 H340 Ce48 F60 N20 O192 -","2","1","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","1.5418","CuKα","","0.1082","0.09","","0.3085","0.2833","0.3085","","","","","","1.0072","","","","has coordinates","300619","2025-07-06","14:26:04",""
"1574752","21.8344","0.000017","26.493099","0.000017","25.106501","0.000014","90","","90.701","0.0018","90","","14522","0.018","100","","100","","","","","","","","MASB 4.14 UoW","5","P 1 21/n 1","-P 2yn","14","","[Ce24O28(OH)8(OOCPh)30(Py)4](Py)14","","- C300 H230 Ce24 N18 O96 -","- C280 H224 Ce24 N14 O96 -","- C560 H448 Ce48 N28 O192 -","2","0.5","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.0794","0.0541","","0.1689","0.1479","0.1684","","","","","","0.9989","","","","has coordinates,has disorder","300619","2025-07-06","14:26:04",""
"1574753","36.1757","0.0006","25.1668","0.0004","42.5226","0.0008","90","","110.7","0.002","90","","36214.5","1.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Ce24O28(OH)8(OOCC6H4(4-OMe))30(py)4](py)11","","- C315 H287 Ce24 N15 O126 -","- C315 H287 Ce24 N15 O126 -","- C1260 H1148 Ce96 N60 O504 -","4","1","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.1467","0.1024","","0.4361","0.3745","0.4361","","","","","","1.7423","","","","has coordinates","300619","2025-07-06","14:26:04",""
"1574754","23.5031","0.0002","24.4019","0.0002","32.8406","0.0003","90.467","0.0007","95.3987","0.0008","91.1491","0.0007","18746.5","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","[Ce24O28(OH)8(OOCPhMe)30(Py)4]2(Py)53","","- C365 H335 Ce24 N25 O96 -","- C365 H335 Ce24 N25 O96 -","- C730 H670 Ce48 N50 O192 -","2","1","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.0821","0.0491","","0.1331","0.1174","0.1331","","","","","","0.9635","","","","has coordinates","300619","2025-07-06","14:26:04",""
"1574755","43.6537","0.0003","27.5054","0.0002","40.9209","0.0003","90","","103.985","0.0008","90","","47677.8","0.6","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","[Ce24O28(OH)8(OOCPhtBu)30(Py)4](py)10","","- C400 H464 Ce24 N14 O96 -","- C400 H464 Ce24 N14 O96 -","- C1600 H1856 Ce96 N56 O384 -","4","1","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.114","0.114","","0.3748","0.3748","0.3748","","","","","","1.87","","","","has coordinates","300619","2025-07-06","14:26:04",""
"1574756","20.6719","0.0004","6.0409","0.0001","8.4029","0.0002","90","","97.775","0.001","90","","1039.68","0.04","213","","213","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 I Na O4 S -","- C7 H6 I Na O4 S -","- C28 H24 I4 Na4 O16 S4 -","4","1","","Xia, Zhen; Deng, Ting; Song, Chunlan; Li, Jiakun","Decarboxylative sulfation by persulfates","Chemical Science","2025","16","25","11568","11573","10.1039/D5SC03129J","","","1.34139","GaKα","","0.0893","0.0866","","","0.246","0.252","","","","","","1.161","","","","has coordinates","300624","2025-07-06","14:27:26",""
"1574757","9.9445","0.0006","11.2448","0.0005","13.1854","0.0008","94.789","0.002","109.861","0.002","99.596","0.002","1351.64","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H72 Cl6 N6 O27 Pr2 -","- C26 H54 Cl6 N6 O27 Pr2 -","- C26 H54 Cl6 N6 O27 Pr2 -","1","0.5","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.0659","0.048","","","0.1193","0.13","","","","","","1.039","","","","has coordinates,has disorder","301547","2025-08-05","21:18:43",""
"1574758","11.1441","0.0015","37.436","0.005","14.4231","0.0019","90","","90.594","0.004","90","","6016.9","1.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 Eu N6 O11 -","- C26 H37 Eu N6 O11 -","- C208 H296 Eu8 N48 O88 -","8","2","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.0707","0.0631","","","0.1647","0.1726","","","","","","1.084","","","","has coordinates,has disorder","301547","2025-08-05","21:18:44",""
"1574759","22.176","0.0008","12.8958","0.0005","12.8625","0.0005","90","","109.236","0.001","90","","3473","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H44 Cl4 N6 O11 -","- C26 H38 Cl4 N6 O8 -","- C104 H152 Cl16 N24 O32 -","4","0.5","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","1.54178","CuKα","","0.0479","0.0457","","","0.1439","0.1463","","","","","","1.057","","","","has coordinates","301547","2025-08-05","21:18:44",""
"1574760","21.9337","0.0005","5.4237","0.0001","9.0915","0.0002","90","","90","","90","","1081.54","0.04","120","2","120","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C18 H34 N6 O4 -","- C18 H34 N6 O4 -","- C36 H68 N12 O8 -","2","0.25","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.0356","0.0341","","","0.0903","0.0938","","","","","","1.098","","","","has coordinates","301547","2025-08-05","21:18:44",""
"1574761","16.5314","0.0006","19.3002","0.0007","9.6305","0.0004","90","","93.348","0.001","90","","3067.5","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H39 Cl2 N6 O11 Pr -","- C26 H39 Cl2 N6 O11 Pr -","- C104 H156 Cl8 N24 O44 Pr4 -","4","0.5","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.0439","0.0426","","","0.1228","0.1237","","","","","","1.238","","","","has coordinates,has disorder","301547","2025-08-05","21:18:44",""
"1574762","12.6858","0.0005","12.9121","0.0004","20.6862","0.0008","93.56","0.001","96.977","0.002","90.562","0.001","3356.3","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H50 N6 O16 -","- C26 H34 N6 O8 -","- C104 H136 N24 O32 -","4","2","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.0678","0.0543","","","0.144","0.1523","","","","","","1.029","","","","has coordinates","301547","2025-08-05","21:18:44",""
"1574763","9.8498","0.0008","14.4593","0.001","15.2054","0.0013","71.824","0.003","84.744","0.003","85.628","0.003","2046.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H57 Eu N6 Na O21.5 -","- C26 H48 Eu N6 Na O21.5 -","- C52 H96 Eu2 N12 Na2 O43 -","2","1","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.041","0.0397","","","0.1084","0.1103","","","","","","1.046","","","","has coordinates,has disorder","301547","2025-08-05","21:18:44",""
"1574764","19.8316","0.0016","19.2254","0.0014","19.0053","0.0015","90","","95.647","0.003","90","","7211","1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H42 Cl N6 O13 Pr -","- C26 H32 Cl N6 O9 Pr -","- C208 H256 Cl8 N48 O72 Pr8 -","8","1","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.0607","0.0549","","","0.1318","0.1358","","","","","","1.241","","","","has coordinates,has disorder","301547","2025-08-05","21:18:44",""
"1574765","8.58301","0.00008","7.87355","0.00007","26.1616","0.0002","90","","93.6036","0.0008","90","","1764.47","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido{(<i>E</i>)-<i>N</i>,<i>N</i>-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide}cadmium(II)","","- C15 H16 Cd Cl2 N4 S -","- C15 H16 Cd Cl2 N4 S -","- C60 H64 Cd4 Cl8 N16 S4 -","4","1","BT4171","Parry, Christian S.; Kwabi-Addo, Bernard; Ramadhar, Timothy R.; Butcher, Raymond J.","Dichlorido{(E)-N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide}cadmium(II)","IUCrData","2025","10","5","x250464","","10.1107/S241431462500464X","","x-ray","1.54184","CuKα","","0.0297","0.0266","","","0.0694","0.071","","","","","","1.05","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574766","9.1997","0.0006","15.1692","0.0008","16.7138","0.0009","110.129","0.0013","100.749","0.0016","94.2372","0.0015","2127.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(3<i>Z</i>)-4-Methyl-9-(4-methylbenzenesulfonyl)-<i>N</i>-phenyl-3<i>H</i>,9<i>H</i>-thiopyrano[3,4-<i>b</i>]indol-3-imine","","- C25 H20 N2 O2 S2 -","- C25 H20 N2 O2 S2 -","- C100 H80 N8 O8 S8 -","4","2","BT4173","Dassonneville, Benjamin; Detert, Heiner; Schollmeyer, Dieter","(3Z)-4-Methyl-9-(4-methylbenzenesulfonyl)-N-phenyl-3H,9H-thiopyrano[3,4-b]indol-3-imine","IUCrData","2025","10","5","x250475","","10.1107/S2414314625004754","","","0.71073","MoKα","","0.0704","0.0442","","","0.1063","0.1201","","","","","","1.014","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574767","9.9236","0.0003","10.3042","0.0004","12.9748","0.0005","66.684","0.004","80.942","0.003","66.66","0.003","1118.69","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[tetraaqua(μ~3~-4-hydroxypyridine-2,6-dicarboxylato)di-μ~2~-oxalato-dipraseodymium(III)] 4.29-hydrate]","","- C11 H17 N O21.294 Pr2 -","- C11 H17 N O21.294 Pr2 -","- C22 H34 N2 O42.588 Pr4 -","2","1","ZL4083","Khurshid, Aaqib; Rujiwatra, Apinpus; Chuasaard, Thammanoon","Poly[[tetraaqua(μ3-4-hydroxypyridine-2,6-dicarboxylato)di-μ2-oxalato-dipraseodymium(III)] 4.29-hydrate]","IUCrData","2025","10","5","x250456","","10.1107/S2414314625004560","","","0.71073","MoKα","","0.0509","0.0357","","","0.0749","0.0851","","","","","","1.048","","","","has coordinates,has disorder","300370","2025-07-05","10:15:23",""
"1574768","9.244","0.0004","10.3415","0.0004","11.0093","0.0005","65.358","0.003","66.714","0.002","81.236","0.002","878.59","0.07","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","2-Amino-4-ferrocenyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile monohydrate","","- C20 H20 Fe N2 O3 -","- C20 H20 Fe N2 O3 -","- C40 H40 Fe2 N4 O6 -","2","1","ZL4082","Nyapola, Carren; Juma, David O.; Zamisa, Sizwe J.; Njogu, Eric M.; Omondi, Bernard","2-Amino-4-ferrocenyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile monohydrate","IUCrData","2025","10","5","x250468","","10.1107/S2414314625004687","","x-ray","0.71073","MoKα","","0.0472","0.039","","","0.0989","0.1051","","","","","","1.055","","","","has coordinates,has disorder","300370","2025-07-05","10:15:23",""
"1574769","16.418","0.0005","9.9205","0.0003","15.2137","0.0005","90","","95.722","0.003","90","","2465.58","0.13","149.99","0.1","149.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methyl-4-[(4-methylphenyl)amino]benzoic acid","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C120 H120 N8 O16 -","8","1","HB4493","He, Fang; Long, Sihui","2-Methyl-4-[(4-methylphenyl)amino]benzoic acid","IUCrData","2025","10","5","x250455","","10.1107/S2414314625004559","","x-ray","1.54184","CuKα","","0.0494","0.0459","","","0.1299","0.1332","","","","","","1.095","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574770","7.8421","0.0003","12.3037","0.0005","16.0821","0.0006","90","","96.081","0.003","90","","1542.98","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-6-nitro-1,3-benzothiazol-3-ium 3-carboxy-4-hydroxybenzene-1-sulfonate","","- C14 H11 N3 O8 S2 -","- C14 H11 N3 O8 S2 -","- C56 H44 N12 O32 S8 -","4","1","HB4518","Tsemeugne, Joseph; Djossu, Didier Forest Kouganou; Schollmeyer, Dieter; Mkounga, Pierre","2-Amino-6-nitro-1,3-benzothiazol-3-ium 3-carboxy-4-hydroxybenzene-1-sulfonate","IUCrData","2025","10","5","x250478","","10.1107/S241431462500478X","","","0.71073","MoKα","","0.0841","0.0602","","","0.1298","0.1467","","","","","","1.155","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574771","11.006","0.003","7.772","0.002","18.214","0.004","90","","93.509","0.004","90","","1555.1","0.7","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cr2 O20 S4 -","- C20 H26 Cr2 O20 S4 -","- C40 H52 Cr4 O40 S8 -","2","0.5","","Yang, Fan; Kong, Xiang-Jing; He, Tao; Zhang, Zhengqing; Wang, Ke; Du, Honglin; Cai, Guohong; Ju, Jing; Wang, Xiaoge; Li, Jian-Rong; Sun, Junliang; Zhong, Chongli","Solvent-free construction of Cr(iii)-sulfonate coordination polymers","Chemical Science","2025","16","26","11823","11832","10.1039/D5SC03014E","","","0.0251","electron","","0.3998","0.2466","","","0.5482","0.6155","","","","","","1.621","","","","has coordinates","300566","2025-07-06","14:01:11",""
"1574772","9.9289","0.0012","9.5629","0.001","15.88","0.0017","90","","103.656","0.003","90","","1465.2","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cr O11 S3 -","- C9 H10 Cr O11 S3 -","- C36 H40 Cr4 O44 S12 -","4","1","","Yang, Fan; Kong, Xiang-Jing; He, Tao; Zhang, Zhengqing; Wang, Ke; Du, Honglin; Cai, Guohong; Ju, Jing; Wang, Xiaoge; Li, Jian-Rong; Sun, Junliang; Zhong, Chongli","Solvent-free construction of Cr(iii)-sulfonate coordination polymers","Chemical Science","2025","16","26","11823","11832","10.1039/D5SC03014E","","","0.0251","electron","","0.2979","0.2203","","","0.4813","0.5488","","","","","","1.535","","","","has coordinates","300566","2025-07-06","14:01:12",""
"1574773","11.0056","0.0007","23.4923","0.0013","7.6371","0.0004","90","","97.235","0.002","90","","1958.83","0.19","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cr O13 S3 -","- C15 H17 Cr O13 S3 -","- C60 H68 Cr4 O52 S12 -","4","1","","Yang, Fan; Kong, Xiang-Jing; He, Tao; Zhang, Zhengqing; Wang, Ke; Du, Honglin; Cai, Guohong; Ju, Jing; Wang, Xiaoge; Li, Jian-Rong; Sun, Junliang; Zhong, Chongli","Solvent-free construction of Cr(iii)-sulfonate coordination polymers","Chemical Science","2025","16","26","11823","11832","10.1039/D5SC03014E","","","0.0251","electron","","0.4603","0.3224","","","0.5995","0.709","","","","","","2.079","","","","has coordinates","300566","2025-07-06","14:01:21",""
"1574774","10.666","0.007","6.555","0.004","11.7","0.008","90","","92.118","0.018","90","","817.5","0.9","180","2","180","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H7 Cr O11 S2 -","- C12 H7 Cr O11 S2 -","- C24 H14 Cr2 O22 S4 -","2","0.5","","Yang, Fan; Kong, Xiang-Jing; He, Tao; Zhang, Zhengqing; Wang, Ke; Du, Honglin; Cai, Guohong; Ju, Jing; Wang, Xiaoge; Li, Jian-Rong; Sun, Junliang; Zhong, Chongli","Solvent-free construction of Cr(iii)-sulfonate coordination polymers","Chemical Science","2025","16","26","11823","11832","10.1039/D5SC03014E","","","0.0251","electron","","0.2761","0.2099","","","0.4918","0.537","","","","","","1.735","","","","has coordinates","300566","2025-07-06","14:01:29",""
"1574775","10.7014","0.0006","13.0096","0.0006","13.6186","0.0007","90.271","0.004","111.301","0.005","98.392","0.004","1744.12","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C2.42 H2.12 N0.3 O0.12 -","- C2.42424 H2.12121 N0.30303 O0.121212 -","- C80 H70 N10 O4 -","33","16.5","","Kumar, Ram; Singh, Bholey; Kakkar, Rita; Mittal, Avneesh; Pani, Balaram","Rhodamine-based turn-on fluorescent and colorimetric chemosensor for selective Pb<sup>2+</sup> detection: insights from crystal structure, molecular docking, real sample analysis, and logic gate applications.","Analytical methods : advancing methods and applications","2025","17","23","4812","4830","10.1039/d5ay00482a","","","0.71073","MoKα","","0.0987","0.0718","","","0.2092","0.2292","","","","","","1.093","","","","has coordinates","300386","2025-07-06","12:37:07",""
"1574776","14.31918","0.00016","51.9317","0.0008","19.4811","0.0002","90","","91.266","0.001","90","","14483","0.3","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C189.15 H185.84 Cl24 N29.26 O3.62 Pd12 -","- C189.102 H185.79 Cl24 N29.252 O3.611 Pd12 -","- C378.204 H371.58 Cl48 N58.504 O7.222 Pd24 -","2","1","","Tashiro, Shohei; Nakata, Kosuke; Hayashi, Ryunosuke; Shionoya, Mitsuhiko","Shape sorting of two distinct amino acid residues at the multiple binding sites of a porous metal-macrocycle framework.","Chemical science","2025","16","27","12303","12308","10.1039/d5sc00795j","","","0.71075","MoKα","","0.1037","0.0939","","","0.2748","0.2836","","","","","","1.202","","","","has coordinates,has disorder","301540","2025-08-05","21:16:33",""
"1574777","14.31918","0.00016","51.9317","0.0008","19.4811","0.0002","90","","91.266","0.001","90","","14483","0.3","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C190.16 H189.64 Cl24 N29.41 O3.18 Pd12 -","- C190.11 H189.6 Cl24 N29.41 O3.18 Pd12 -","- C380.22 H379.2 Cl48 N58.82 O6.36 Pd24 -","2","1","","Tashiro, Shohei; Nakata, Kosuke; Hayashi, Ryunosuke; Shionoya, Mitsuhiko","Shape sorting of two distinct amino acid residues at the multiple binding sites of a porous metal-macrocycle framework.","Chemical science","2025","16","27","12303","12308","10.1039/d5sc00795j","","","0.71075","MoKα","","0.1058","0.0959","","","0.2813","0.2901","","","","","","1.229","","","","has coordinates","301540","2025-08-05","21:16:37",""
"1574778","14.3167","0.0003","52.183","0.001","19.5516","0.0004","90","","91.168","0.001","90","","14603.7","0.5","93","2","93.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C205.13 H211.99 Cl24 N33.58 O8.86 Pd12 -","- C205.136 H211.991 Cl24 N33.583 O8.857 Pd12 -","- C410.272 H423.982 Cl48 N67.166 O17.714 Pd24 -","2","1","","Tashiro, Shohei; Nakata, Kosuke; Hayashi, Ryunosuke; Shionoya, Mitsuhiko","Shape sorting of two distinct amino acid residues at the multiple binding sites of a porous metal-macrocycle framework.","Chemical science","2025","16","27","12303","12308","10.1039/d5sc00795j","","","0.71075","MoKα","","0.1251","0.0791","","","0.2171","0.2522","","","","","","1.031","","","","has coordinates,has disorder","301540","2025-08-05","21:16:37",""
"1574779","14.3191","0.0003","52.5328","0.001","19.6294","0.0004","90","","91.234","0.001","90","","14762.3","0.5","93","2","93.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C200.14 H203.01 Cl24 N31.63 O10.62 Pd12 -","- C200.138 H203.004 Cl24 N31.63 O10.624 Pd12 -","- C400.276 H406.008 Cl48 N63.26 O21.248 Pd24 -","2","1","","Tashiro, Shohei; Nakata, Kosuke; Hayashi, Ryunosuke; Shionoya, Mitsuhiko","Shape sorting of two distinct amino acid residues at the multiple binding sites of a porous metal-macrocycle framework.","Chemical science","2025","16","27","12303","12308","10.1039/d5sc00795j","","","0.71075","MoKα","","0.0964","0.0702","","","0.2014","0.2229","","","","","","1.031","","","","has coordinates,has disorder","301540","2025-08-05","21:16:37",""
"1574780","20.8662","","20.8662","","3.1649","","90","","90","","120","","1193.38","","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zn3(HOTP)2","","- C36 H12 O12 Zn3 -","- C12 H4 O4 Zn -","- C36 H12 O12 Zn3 -","3","0.125","","Zhang, Kimberly J.; Chen, Tianyang; Oppenheim, Julius J.; Yang, Luming; Palatinus, Lukáš; Müller, Peter; Van Voorhis, Troy; Dincă, Mircea","High-resolution structure of Zn<sub>3</sub>(HOTP)<sub>2</sub> (HOTP = hexaoxidotriphenylene), a three-dimensional conductive MOF.","Chemical science","2025","16","27","12416","12420","10.1039/d5sc00894h","","electron","0.0251","electron","","0.2904","0.1992","","","0.2259","0.2392","","","","4.4582","4.4582","3.0896","","","","has coordinates","301543","2025-08-05","21:17:21",""
"1574781","20.8662","","20.8662","","9.4948","","90","","90","","120","","3580.17","","293","","293","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","Zn3(HOTP)2","","- C36 H12 O12 Zn3 -","- C12 H4 O4 Zn -","- C108 H36 O36 Zn9 -","9","0.75","","Zhang, Kimberly J.; Chen, Tianyang; Oppenheim, Julius J.; Yang, Luming; Palatinus, Lukáš; Müller, Peter; Van Voorhis, Troy; Dincă, Mircea","High-resolution structure of Zn<sub>3</sub>(HOTP)<sub>2</sub> (HOTP = hexaoxidotriphenylene), a three-dimensional conductive MOF.","Chemical science","2025","16","27","12416","12420","10.1039/d5sc00894h","","electron","0.0251","electron","","0.2904","0.1992","","","0.2259","0.2392","","","","4.4582","4.4582","3.0896","","","","has coordinates","301543","2025-08-05","21:17:21",""
"1574782","5.61821","","5.61821","","12.7282","0.00016","90","","90","","90","","401.757","0.005","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","Crystal structures of Ba-molybdate","","","- Ba O4 W -","- Ba2 O8 W2 -","- Ba4 O16 W4 -","2","0.125","","Amitkumar R. Patil, Tukaram D. Dongale, Lahu D.Namade, Keshav Y. Rajpure","Resistive switching in spray-pyrolyzed BaWO4 thin films","Colloids and Surfaces A: Physicochemical and Engineering Aspects","2025","723","","137352","","10.1016/j.colsurfa.2025.137352","","","","","","","","","","","","","","","","","","","","","has coordinates","299920","2025-06-03","05:07:29",""
"1574783","7.2268","0.0004","7.9865","0.0006","9.2053","0.0008","103.537","0.007","92.512","0.006","108.209","0.006","486.72","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 N2 O2 S -","- C9 H12 N2 O2 S -","- C18 H24 N4 O4 S2 -","2","1","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","x-ray","0.71073","MoKα","","0.0552","0.0409","","","0.0872","0.0979","","","","","","1.072","","","","has coordinates","300565","2025-07-06","14:00:43",""
"1574784","7.626","0.0001","10.8033","0.0002","36.368","0.0007","90","","90","","90","","2996.21","0.09","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C128 H128 N16 O32 S8 -","8","1","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","","1.54184","CuKα","","0.0552","0.0476","","","0.1204","0.129","","","","","","1.066","","","","has coordinates","300565","2025-07-06","14:00:45",""
"1574785","8.5033","0.0003","23.1754","0.0007","20.2967","0.0006","90","","92.005","0.003","90","","3997.4","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl N2 O2 S -","- C13 H11 Cl N2 O2 S -","- C156 H132 Cl12 N24 O24 S12 -","12","3","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","x-ray","0.71073","MoKα","","0.0469","0.0357","","","0.0841","0.0899","","","","","","1.035","","","","has coordinates","300565","2025-07-06","14:00:53",""
"1574786","8.4203","0.0006","17.4676","0.001","7.2129","0.0005","90","","110.069","0.008","90","","996.47","0.13","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O2 S -","- C10 H12 N2 O2 S -","- C40 H48 N8 O8 S4 -","4","1","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","x-ray","0.71073","MoKα","","0.0492","0.0367","","","0.0877","0.0948","","","","","","1.025","","","","has coordinates","300565","2025-07-06","14:00:53",""
"1574787","11.5242","0.0002","9.8469","0.0002","10.7702","0.0002","90","","98.211","0.002","90","","1209.65","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O2 S2 -","- C11 H10 N2 O2 S2 -","- C44 H40 N8 O8 S8 -","4","1","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","","1.54184","CuKα","","0.0398","0.0359","","","0.0982","0.102","","","","","","1.045","","","","has coordinates","300565","2025-07-06","14:00:53",""
"1574788","7.816","0.0002","5.549","0.0001","16.7197","0.0004","90","","97.198","0.002","90","","719.43","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C30 H32 N4 O6 S2 -","2","1","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","","1.54184","CuKα","","0.0408","0.039","","","0.1033","0.1053","","","","","","1.069","","","","has coordinates","300565","2025-07-06","14:00:53",""
"1574789","14.3193","0.0002","7.0764","0.0001","27.0199","0.0003","90","","90","","90","","2737.9","0.06","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 O3 S -","- C14 H14 N2 O3 S -","- C112 H112 N16 O24 S8 -","8","1","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","","1.54184","CuKα","","0.0452","0.0388","","","0.1026","0.1106","","","","","","1.069","","","","has coordinates","300565","2025-07-06","14:00:53",""
"1574790","8.5461","0.0002","23.147","0.0007","20.3641","0.0006","90","","92.362","0.003","90","","4024.93","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C168 H168 N24 O24 S12 -","12","3","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","x-ray","0.71073","MoKα","","0.0483","0.0375","","","0.0908","0.0972","","","","","","1.037","","","","has coordinates","300565","2025-07-06","14:00:53",""
"1574791","7.4981","0.0005","16.7375","0.0012","18.9431","0.0013","90","","90","","90","","2377.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O2 Si -","- C28 H27 N O2 Si -","- C112 H108 N4 O8 Si4 -","4","1","","Corcoran, James C.; Zhu, Jin; Semenick, Mason A.; Welser, Anna L.; Wang, Yi-Ming","Intramolecular asymmetric propargylation of esters and imides: C-H functionalisation enables stereocontrolled access to UCS1025A.","Chemical science","2025","16","28","12879","12884","10.1039/d5sc02523k","","","0.71073","MoKα","","0.0469","0.0371","","","0.0843","0.0893","","","","","","1.023","","","","has coordinates","301537","2025-08-05","21:15:18",""
"1574792","10.7177","0.0019","11.995","0.003","15.986","0.003","90","","90","","90","","2055.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O2 Si -","- C23 H25 N O2 Si -","- C92 H100 N4 O8 Si4 -","4","1","","Corcoran, James C.; Zhu, Jin; Semenick, Mason A.; Welser, Anna L.; Wang, Yi-Ming","Intramolecular asymmetric propargylation of esters and imides: C-H functionalisation enables stereocontrolled access to UCS1025A.","Chemical science","2025","16","28","12879","12884","10.1039/d5sc02523k","","","1.54184","","","0.0281","0.0277","","","0.0745","0.0748","","","","","","1.013","","","","has coordinates","301537","2025-08-05","21:15:18",""
"1574793","23.2091","0.0007","10.1744","0.0003","14.2246","0.0005","90","","113.837","0.001","90","","3072.45","0.17","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C2.77 H2.15 Cl0.15 F0.23 N0.08 O0.31 -","- C2.76923 H2.15385 Cl0.153846 F0.230769 N0.0769231 O0.307692 -","- C144 H112 Cl8 F12 N4 O16 -","52","13","","Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad","Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights.","Chemical science","2025","16","27","12350","12361","10.1039/d5sc02288f","","","0.71073","MoKα","","0.0609","0.055","","","0.1462","0.1503","","","","","","1.067","","","","has coordinates","301541","2025-08-05","21:16:54",""
"1574794","12.0072","0.0007","11.2445","0.0009","20.5394","0.0016","90","","91.189","0.003","90","","2772.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cl N O5 -","- C34 H19 Cl N O5 -","- C136 H76 Cl4 N4 O20 -","4","1","","Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad","Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights.","Chemical science","2025","16","27","12350","12361","10.1039/d5sc02288f","","","0.71073","MoKα","","0.1466","0.1115","","","0.252","0.271","","","","","","1.093","","","","has coordinates","301541","2025-08-05","21:16:55",""
"1574795","11.3001","0.0007","13.4126","0.0008","16.3714","0.0009","76.397","0.002","75.85","0.002","67.123","0.002","2189.3","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 F6 N2 O6 -","- C54 H40 F6 N2 O6 -","- C108 H80 F12 N4 O12 -","2","1","","Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad","Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights.","Chemical science","2025","16","27","12350","12361","10.1039/d5sc02288f","","x-ray","0.71073","MoKα","","0.1004","0.0829","","","0.1774","0.1858","","","","","","1.174","","","","has coordinates","301541","2025-08-05","21:16:55",""
"1574796","8.5086","0.0007","10.3951","0.0009","11.77","0.001","94.161","0.003","106.191","0.003","91.831","0.003","995.62","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 F4 O4 -","- C24 H16 F4 O4 -","- C48 H32 F8 O8 -","2","1","","Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad","Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights.","Chemical science","2025","16","27","12350","12361","10.1039/d5sc02288f","","","0.71073","MoKα","","0.0437","0.0402","","","0.1053","0.1079","","","","","","1.038","","","","has coordinates","301541","2025-08-05","21:16:55",""
"1574797","35.3662","0.0015","35.3662","0.0015","9.9973","0.0007","90","","90","","120","","10829","1","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C37.12 H28.61 N1.12 O3.38 -","- C37.125 H28.6076 N1.125 O3.375 -","- C594 H457.722 N18 O54 -","16","0.888889","","Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad","Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights.","Chemical science","2025","16","27","12350","12361","10.1039/d5sc02288f","","x-ray","0.71073","MoKα","","0.0766","0.0627","","","0.1518","0.1615","","","","","","0.993","","","","has coordinates,has disorder","301541","2025-08-05","21:16:55",""
"1574798","13.8273","0.001","7.352","0.0006","11.6565","0.001","90","","90.016","0.006","90","","1184.98","0.16","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O -","- C14 H18 O -","- C56 H72 O4 -","4","2","","Gonzalez, Elijah C.; de la Torre Roehl, Isabel M.; Stoltz, Brian M.","Concise total synthesis of the cage-like sesquiterpenoid (+)-daphnepapytone A","Chemical Science","2025","16","25","11381","11385","10.1039/D5SC02952J","","","1.54178","CuKα","","0.0264","0.0258","","","0.0652","0.0654","","","","","","1.053","","","","has coordinates","300623","2025-07-06","14:27:19",""
"1574799","17.747","0.002","19.054","0.002","7.349","0.0006","90","","90","","90","","2485.1","0.4","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","2","","Gonzalez, Elijah C.; de la Torre Roehl, Isabel M.; Stoltz, Brian M.","Concise total synthesis of the cage-like sesquiterpenoid (+)-daphnepapytone A","Chemical Science","2025","16","25","11381","11385","10.1039/D5SC02952J","","","1.54178","CuKα","","0.0503","0.0374","","","0.0828","0.0897","","","","","","1.021","","","","has coordinates","300623","2025-07-06","14:27:19",""
"1574800","9.7645","0.0008","10.4864","0.0008","12.1839","0.0009","90","","90","","90","","1247.56","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Gonzalez, Elijah C.; de la Torre Roehl, Isabel M.; Stoltz, Brian M.","Concise total synthesis of the cage-like sesquiterpenoid (+)-daphnepapytone A","Chemical Science","2025","16","25","11381","11385","10.1039/D5SC02952J","","","1.54178","CuKα","","0.0294","0.0279","","","0.0733","0.0738","","","","","","1.069","","","","has coordinates","300623","2025-07-06","14:27:19",""
"1574801","9.6601","0.0012","6.2154","0.0007","11.633","0.0013","90","","90","","90","","698.46","0.14","296","2","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B Ba S4 Sb -","- B Ba S4 Sb -","- B4 Ba4 S16 Sb4 -","4","0.5","","Zhang, Ming-Zhi; Zhao, Yue; Hu, Chun-Li; Mao, Jiang-Gao","BaSbBS<sub>4</sub>: a record-high-performance birefringent crystal identified by a target-driven closed-loop strategy.","Chemical science","2025","16","27","12577","12586","10.1039/d5sc01983d","","","0.71073","MoKα","","0.043","0.0342","","","0.0779","0.0845","","","","","","1.078","","","","has coordinates","301549","2025-08-05","21:19:01",""
"1574802","10.6394","0.0006","10.7112","0.0006","23.9695","0.0013","90.188","0.002","102.38","0.002","104.147","0.002","2582.7","0.3","170","","170","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H40 O4 -","- C29 H40 O4 -","- C116 H160 O16 -","4","2","","Sun, Ruikang; Zhang, Pei; Yan, Yong; Zhu, Jie; Chen, Qirui; Yang, Chi; Lin, Aijun; Li, Xuanyi; Gao, Shang; Yao, Hequan","Single-carbon-atom transfer to <i>para</i>-quinone methides from TMSCF<sub>2</sub>Br.","Chemical science","2025","16","27","12324","12331","10.1039/d5sc03234b","","","0.71073","MoKα","","0.142","0.0866","","","0.222","0.2458","","","","","","1.049","","","","has coordinates","301546","2025-08-05","21:18:21",""
"1574803","12.9119","0.001","7.906","0.0007","22.6326","0.0018","90","","105.139","0.003","90","","2230.2","0.3","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 N O2 Si -","- C26 H27 N O2 Si -","- C104 H108 N4 O8 Si4 -","4","2","","Wu, Yichen; Qian, Hao-Yang; Zhang, Heng; Zou, Jian-Ye; Wu, Qing-Yan; Nie, Xiao-Xue; Zheng, Long; Peng, Qian; Wang, Peng","Rh-catalyzed enantioselective hydrosilylation of unactivated alkenes.","Chemical science","2025","16","27","12594","12602","10.1039/d5sc02711j","","","1.34139","GaKα","","0.1396","0.1022","","","0.2663","0.2951","","","","","","1.022","","","","has coordinates","301548","2025-08-05","21:18:54",""
"1574804","14.2417","0.0012","14.4218","0.0012","16.509","0.0015","90","","103.326","0.004","90","","3299.5","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 B2 N2 O2 -","- C38 H46 B2 N2 O2 -","- C152 H184 B8 N8 O8 -","4","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","0.71073","MoKα","","0.0766","0.0527","","","0.1312","0.1478","","","","","","1.06","","","","has coordinates","301545","2025-08-05","21:18:06",""
"1574805","10.5812","0.0005","19.2594","0.0011","29.9453","0.0016","90","","90","","90","","6102.5","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C60 H72 B2 N2 -","- C60 H72 B2 N2 -","- C240 H288 B8 N8 -","4","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","1.54178","CuKα","","0.0864","0.0642","","","0.1653","0.1852","","","","","","1.06","","","","has coordinates,has disorder","301545","2025-08-05","21:18:07",""
"1574806","13.2016","0.0003","13.5917","0.0003","27.9529","0.0008","90","","91.891","0.002","90","","5012.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H136 B2 K2 N8 O14 -","- C94 H136 B2 K2 N8 O14 -","- C188 H272 B4 K4 N16 O28 -","2","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","1.54178","CuKα","","0.0937","0.0679","","","0.1767","0.1962","","","","","","1.086","","","","has coordinates","301545","2025-08-05","21:18:07",""
"1574807","12.3898","0.0006","17.0733","0.0008","19.6357","0.0009","109.541","0.002","106.403","0.002","93.078","0.002","3704.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H86 B2 F8 N4 Sb -","- C80 H86 B2 F8 N4 Sb -","- C160 H172 B4 F16 N8 Sb2 -","2","1","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","0.71073","MoKα","","0.0833","0.0542","","","0.1376","0.1574","","","","","","1.034","","","","has coordinates","301545","2025-08-05","21:18:07",""
"1574808","16.4468","0.001","9.5691","0.0006","19.4316","0.0012","90","","109.712","0.002","90","","2879","0.3","150","2","150","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C60 H72 B2 F6 N2 Sb -","- C60 H72 B2 F6 N2 Sb -","- C120 H144 B4 F12 N4 Sb2 -","2","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","0.71073","MoKα","","0.1028","0.0799","","","0.2112","0.2291","","","","","","1.073","","","","has coordinates","301545","2025-08-05","21:18:07",""
"1574809","14.9184","0.0006","17.1615","0.0007","20.7225","0.0009","90","","106.128","0.002","90","","5096.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H160 B2 K2 N6 O14 -","- C104 H160 B2 K2 N6 O14 -","- C208 H320 B4 K4 N12 O28 -","2","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","1.54178","CuKα","","0.0509","0.0455","","","0.1276","0.1328","","","","","","1.035","","","","has coordinates","301545","2025-08-05","21:18:07",""
"1574810","11.1662","0.0005","11.7494","0.0006","15.5317","0.0008","71.647","0.002","84.332","0.002","88.761","0.002","1924.5","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H114 B2 N4 O4 -","- C90 H114 B2 N4 O4 -","- C90 H114 B2 N4 O4 -","1","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","0.71073","MoKα","","0.1228","0.0847","","","0.2291","0.2634","","","","","","1.055","","","","has coordinates,has disorder","301545","2025-08-05","21:18:07",""
"1574811","12.4457","0.0007","27.8277","0.0017","13.024","0.0008","90","","95.719","0.002","90","","4488.2","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H86 B2 Cl4 F12 N4 Sb2 -","- C76 H86 B2 Cl4 F12 N4 Sb2 -","- C152 H172 B4 Cl8 F24 N8 Sb4 -","2","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","0.71073","MoKα","","0.0982","0.0817","","","0.1734","0.1819","","","","","","1.119","","","","has coordinates","301545","2025-08-05","21:18:07",""
"1574812","11.1837","0.0011","32.5","0.003","21.1355","0.0019","90","","92.894","0.003","90","","7672.3","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H80 B2 F16 N2 Sb2 -","- C72 H80 B2 F16 N2 Sb2 -","- C288 H320 B8 F64 N8 Sb8 -","4","1","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","0.71073","MoKα","","0.0824","0.064","","","0.1579","0.1694","","","","","","1.032","","","","has coordinates","301545","2025-08-05","21:18:07",""
"1574813","10.0247","0.0004","10.519","0.0005","11.3139","0.0005","111.372","0.004","115.622","0.004","95.402","0.004","955.68","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C50 H40 N4 O2 -","2","1","","Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming","Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals.","Chemical science","2025","16","29","13345","13351","10.1039/d5sc02457a","","","0.71073","MoKα","","0.0764","0.0539","","","0.1458","0.1596","","","","","","1.012","","","","has coordinates","301526","2025-08-05","21:12:03",""
"1574814","11.9874","0.0005","17.6677","0.0009","10.452","0.0005","90","","105.409","0.002","90","","2134.06","0.17","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O -","- C27 H24 N2 O -","- C108 H96 N8 O4 -","4","1","","Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming","Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals.","Chemical science","2025","16","29","13345","13351","10.1039/d5sc02457a","","","0.71073","MoKα","","0.079","0.0642","","","0.1658","0.1776","","","","","","1.086","","","","has coordinates","301526","2025-08-05","21:12:05",""
"1574815","11.4592","0.0012","11.52","0.0013","19.198","0.002","85.698","0.005","85.659","0.005","63.308","0.004","2255.4","0.4","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C108 H96 N8 O12 -","4","2","","Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming","Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals.","Chemical science","2025","16","29","13345","13351","10.1039/d5sc02457a","","","0.71073","MoKα","","0.1325","0.083","","","0.2098","0.2335","","","","","","1.067","","","","has coordinates","301526","2025-08-05","21:12:15",""
"1574816","9.418","0.015","10.444","0.017","10.672","0.017","68.47","0.02","74.62","0.02","73.96","0.02","923","3","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C50 H40 N4 O2 -","2","1","","Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming","Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals.","Chemical science","2025","16","29","13345","13351","10.1039/d5sc02457a","","x-ray","0.71073","MoKα","","0.2611","0.0953","","","0.172","0.2387","","","","","","0.966","","","","has coordinates","301526","2025-08-05","21:12:17",""
"1574817","11.358","0.0002","12.5546","0.0002","14.4385","0.0003","104.294","0.001","104.552","0.002","97.394","0.001","1890.77","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C100 H80 N8 O4 -","4","2","","Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming","Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals.","Chemical science","2025","16","29","13345","13351","10.1039/d5sc02457a","","","0.71073","MoKα","","0.054","0.0419","","","0.1013","0.1076","","","","","","1.073","","","","has coordinates","301526","2025-08-05","21:12:31",""
"1574818","15.068","0.0011","6.3158","0.0005","22.0503","0.0016","90","","100.439","0.003","90","","2063.7","0.3","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Jiang, Qin; Dong, Jianyang; Lei, Fang; Yu, Dejiang; Li, Ting; Sun, Huaming; Xue, Dong","Strain-release driven spirocyclization of bicyclo[1.1.0]butanes: access to 6,7-diazaspiro[3.4]octanes","Chemical Science","2025","16","26","12189","12195","10.1039/D5SC03141A","","","1.54178","CuKα","","0.0824","0.0574","","","0.154","0.1616","","","","","","1.093","","","","has coordinates","300567","2025-07-06","14:01:45",""
"1574819","14.2323","0.0006","7.6198","0.0003","19.8463","0.0008","90","","90","","90","","2152.28","0.15","100","0.5","100","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Methoxy-2-methyl-5-nitrophenyl)acetamide","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C80 H96 N16 O32 -","8","1","HB4520","Uppu, Rao M.; Fronczek, Frank R.","N-(4-Methoxy-2-methyl-5-nitrophenyl)acetamide","IUCrData","2025","10","6","x250470","","10.1107/S2414314625004705","","","1.54184","CuKα","","0.0954","0.0534","","","0.1273","0.1364","","","","","","1.042","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574820","11.81505482","","12.23692562","","7.10002691","","90.0019","","90","","90","","1026.52","","","","","","","","","","","","","2","P 1","P 1","1","","","","- I8 K8 -","- I K -","- I8 K8 -","8","8","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:40",""
"1574821","7.08010283","","7.09791712","","7.290053","","90.014","","90.0073","","89.9994","","366.354","","","","","","","","","","","","","2","P 1","P 1","1","","","","- I4 Na4 -","- I Na -","- I4 Na4 -","4","4","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574822","5.52777127","","8.40563451","","9.50743605","","89.9266","","92.1043","","90.0854","","441.459","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Br2 Cl8 K2 -","- Br Cl4 K -","- Br2 Cl8 K2 -","2","2","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574823","8.17554987","","8.17545312","","12.92405996","","89.9997","","90.0004","","119.998","","748.115","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Cl3 I6 K9 -","- Cl I2 K3 -","- Cl3 I6 K9 -","3","3","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574824","7.5745859","","7.47783339","","10.64749269","","90","","90","","89.9999","","603.09","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Br8 Cl8 Li16 -","- Br Cl Li2 -","- Br8 Cl8 Li16 -","8","8","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574825","6.89761845","","6.89761779","","9.07397362","","89.9998","","89.9997","","89.9993","","431.714","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Br4 I4 Li8 -","- Br I Li2 -","- Br4 I4 Li8 -","4","4","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574826","7.44595166","","6.64557407","","8.11584563","","90.219","","90.6102","","89.7363","","401.563","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Cl10 Li2 Na4 -","- Cl5 Li Na2 -","- Cl10 Li2 Na4 -","2","2","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574827","4.57088421","","4.57088314","","12.56050046","","90","","90","","120","","227.268","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Br3 K3 -","- Br K -","- Br3 K3 -","3","3","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574828","4.41377149","","11.42127601","","8.84758514","","90.0609","","90","","89.9976","","446.014","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Br2 I4 Na6 -","- Br I2 Na3 -","- Br2 I4 Na6 -","2","2","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574829","11.0085188","","11.00851965","","4.54767139","","90.0001","","89.9999","","90","","551.121","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Br8 Na12 O2 -","- Br4 Na6 O -","- Br8 Na12 O2 -","2","2","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574830","7.04072003","","7.04072003","","7.04072017","","90","","90","","90","","349.021","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Cl I3 K4 -","- Cl I3 K4 -","- Cl I3 K4 -","1","1","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574831","9.56782617","","9.56667027","","10.86714246","","90.0184","","89.9857","","120.033","","861.14","","","","","","","","","","","","","3","P 1","P 1","1","","","","- I12 Li9 Na3 -","- I4 Li3 Na -","- I12 Li9 Na3 -","3","3","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574832","3.60563605","","6.18271013","","6.06886486","","90","","90.5097","","90","","135.285","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Cl4 Li4 -","- Cl Li -","- Cl4 Li4 -","4","4","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574833","8.62374043","","6.86641651","","7.53508646","","89.6433","","90.1447","","90.0822","","446.174","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Br4 Na12 O8 -","- Br Na3 O2 -","- Br4 Na12 O8 -","4","4","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574834","6.96677839","","6.1954674","","7.80744572","","89.9993","","90.0064","","90.0002","","336.988","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Cl8 Li8 -","- Cl Li -","- Cl8 Li8 -","8","8","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574835","7.27854968","","4.4636847","","7.52581834","","90","","89.9997","","90","","244.507","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Br2 I2 Na4 -","- Br I Na2 -","- Br2 I2 Na4 -","2","2","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574836","10.63927541","","5.88914438","","7.11982419","","90","","90","","90","","446.101","","","","","","","","","","","","","2","P 1","P 1","1","","","","- I4 K4 -","- I K -","- I4 K4 -","4","4","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574837","4.46487017","","7.6102386","","8.82779691","","55.489","","90","","90","","247.17","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Br2 I2 Na4 -","- Br I Na2 -","- Br2 I2 Na4 -","2","2","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574838","4.53892396","","4.53928693","","10.61694621","","89.9943","","90.0079","","89.9951","","218.746","","","","","","","","","","","","","3","P 1","P 1","1","","","","- N4 Na4 O8 -","- N Na O2 -","- N4 Na4 O8 -","4","4","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574839","6.36230533","","6.6968109","","11.13929413","","90","","90","","90","","474.614","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Br8 Cl4 Li12 -","- Br2 Cl Li3 -","- Br8 Cl4 Li12 -","4","4","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574840","7.36349178","","11.45486469","","6.34158533","","89.9953","","89.9228","","90.003","","534.898","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Be4 Br12 Li4 -","- Be Br3 Li -","- Be4 Br12 Li4 -","4","4","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574841","4.69207514","","5.91256374","","7.44017721","","90.295","","90.0371","","106.456","","197.949","","","","","","","","","","","","","3","P 1","P 1","1","","","","- I2 Na2 O6 -","- I Na O3 -","- I2 Na2 O6 -","2","2","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574842","7.97653216","","4.63198529","","8.22376751","","90","","90","","90","","303.845","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Br4 K4 -","- Br K -","- Br4 K4 -","4","4","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574843","7.00922312","","8.16071716","","7.52055807","","90.0001","","90","","90","","430.178","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Cl4 I4 Li8 -","- Cl I Li2 -","- Cl4 I4 Li8 -","4","4","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574844","10.5550204","","10.54925829","","10.53309387","","96.8075","","96.848","","83.1393","","1149.64","","","","","","","","","","","","","3","P 1","P 1","1","","","","- I6 K6 S20 -","- I3 K3 S10 -","- I6 K6 S20 -","2","2","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574845","7.37088716","","11.27904563","","5.91404848","","77.2952","","90.0055","","89.9985","","479.636","","","","","","","","","","","","","3","P 1","P 1","1","","","","- C4 Br8 Li12 -","- C Br2 Li3 -","- C4 Br8 Li12 -","4","4","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574846","5.69131825","","7.80534201","","13.60531471","","89.8297","","89.9798","","89.9915","","604.382","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Cl6 I4 K2 -","- Cl3 I2 K -","- Cl6 I4 K2 -","2","2","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574847","10.03026185","","10.03027612","","4.23379761","","90","","90.0001","","90","","425.947","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Br8 Li8 -","- Br Li -","- Br8 Li8 -","8","8","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574848","8.36834834","","7.27874099","","7.22267546","","90.0003","","89.9992","","90","","439.941","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Br8 Na8 -","- Br Na -","- Br8 Na8 -","8","8","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574849","8.9313506","","8.93269682","","7.9621576","","90","","90","","120.02","","550.016","","","","","","","","","","","","","2","P 1","P 1","1","","","","- I6 Na6 -","- I Na -","- I6 Na6 -","6","6","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574850","12.4581865","","12.45766276","","8.72897931","","89.9694","","90.0323","","119.998","","1173.26","","","","","","","","","","","","","2","P 1","P 1","1","","","","- I18 Li18 -","- I Li -","- I18 Li18 -","18","18","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574851","9.23216381","","11.11977739","","8.92893382","","90","","90","","89.9935","","916.641","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Br16 Li16 -","- Br Li -","- Br16 Li16 -","16","16","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574852","8.59968677","","9.33258631","","7.37288568","","90","","90","","90","","591.728","","","","","","","","","","","","","2","P 1","P 1","1","","","","- I8 Li8 -","- I Li -","- I8 Li8 -","8","8","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574853","11.54482368","","11.54484693","","7.91932462","","90.0074","","89.9921","","120.003","","914.072","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Br18 Li18 -","- Br Li -","- Br18 Li18 -","18","18","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574854","12.42857248","","12.42857263","","7.90695563","","90.0004","","89.9996","","120.005","","1057.7","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Br18 Na18 -","- Br Na -","- Br18 Na18 -","18","18","","Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha","The search for superionic solid-state electrolytes using a physics-informed generative model.","Materials horizons","2025","12","17","6945","6955","10.1039/d5mh00767d","","","","","","","","","","","","","","","","","","","","","has coordinates","302797","2025-10-06","10:42:41",""
"1574855","23.448","0.012","14.472","0.006","14.747","0.008","90","","93.73","0.02","90","","4994","4","272","2","272","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 N2 O2 -","- C64 H48 N2 O2 -","- C256 H192 N8 O8 -","4","1","","Chen, Zhao; Zou, Yijie; Yin, Ya; Deng, Diandian; Yang, Yue; Fan, Congbin; Pu, Shouzhi; Liu, Gang","Molecular engineering of bis(triphenylamine)-modified fluorene luminophore for immensely enriching anisotropic force-triggered high-contrast tricolor fluorescent molecular switches library.","Chemical science","2025","16","27","12293","12302","10.1039/d5sc02314a","","","0.71073","MoKα","","0.096","0.0577","","","0.15","0.17","","","","","","1.024","","","","has coordinates","301544","2025-08-05","21:17:35",""
"1574856","23.7964","0.0007","14.8763","0.0003","14.0068","0.0004","90","","93.979","0.001","90","","4946.5","0.2","272","2","272","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H42 N4 O4 -","- C62 H42 N4 O4 -","- C248 H168 N16 O16 -","4","1","","Chen, Zhao; Zou, Yijie; Yin, Ya; Deng, Diandian; Yang, Yue; Fan, Congbin; Pu, Shouzhi; Liu, Gang","Molecular engineering of bis(triphenylamine)-modified fluorene luminophore for immensely enriching anisotropic force-triggered high-contrast tricolor fluorescent molecular switches library.","Chemical science","2025","16","27","12293","12302","10.1039/d5sc02314a","","","0.71073","MoKα","","0.0936","0.0595","","","0.1705","0.1909","","","","","","1.092","","","","has coordinates","301544","2025-08-05","21:17:36",""
"1574857","7.2281","0.0003","17.0092","0.0008","16.9709","0.0007","90","","96.963","0.002","90","","2071.09","0.16","120","2","120","2","","","","","","","crystallized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C23.16 H27.33 Br Cl N O1.08 -","- C21 H23 Br Cl N -","- C84 H92 Br4 Cl4 N4 -","4","1","","Santos Hurtado, Carina; Bastien, Guillaume; Lončarić, Doroteja; Dračínský, Martin; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Surface inclusion and dynamics of cucurbit[7]uril-based supramolecular complexes.","Chemical science","2025","16","31","14081","14087","10.1039/d5sc03152d","","","0.71073","MoKα","","0.022","0.0212","","","0.0531","0.0535","","","","","","1.072","","","","has coordinates","302504","2025-10-06","07:42:40",""
"1574858","17.1318","0.0006","8.8789","0.0003","12.0049","0.0004","90","","90","","90","","1826.08","0.11","120","2","120","2","","","","","","","crystallized by the authors","4","F d d 2","F 2 -2d","43","","","","- C11 H8 Br N -","- C11 H8 Br N -","- C88 H64 Br8 N8 -","8","0.5","","Santos Hurtado, Carina; Bastien, Guillaume; Lončarić, Doroteja; Dračínský, Martin; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Surface inclusion and dynamics of cucurbit[7]uril-based supramolecular complexes.","Chemical science","2025","16","31","14081","14087","10.1039/d5sc03152d","","","0.71073","MoKα","","0.0145","0.0134","","","0.0338","0.0341","","","","","","1.101","","","","has coordinates","302504","2025-10-06","07:42:42",""
"1574859","14.3576","0.0005","42.1432","0.0015","9.9596","0.0004","90","","114.105","0.001","90","","5500.8","0.4","120","2","120","2","","","","","","","synthesized by the authors","6","C 1 c 1","C -2yc","9","","","","- C17 H13.47 Br Cl N3 O5.24 -","- C17 H13.4727 Br Cl N3 O5.23633 -","- C204 H161.672 Br12 Cl12 N36 O62.836 -","12","3","","Santos Hurtado, Carina; Bastien, Guillaume; Lončarić, Doroteja; Dračínský, Martin; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Surface inclusion and dynamics of cucurbit[7]uril-based supramolecular complexes.","Chemical science","2025","16","31","14081","14087","10.1039/d5sc03152d","","","0.71073","MoKα","","0.0311","0.0302","","","0.0831","0.0837","","","","","","1.043","","","","has coordinates,has disorder","302504","2025-10-06","07:42:42",""
"1574860","23.988","0.006","12.672","0.003","19.276","0.005","90","","101.714","0.009","90","","5737","2","293.3","","293.3","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Eu2(Phen)4(CO3)3(H2O)2]n","","- C51 H60 Eu2 N8 O25 -","- C51 H60 Eu2 N8 O25 -","- C204 H240 Eu8 N32 O100 -","4","0.5","","Zhao, Lu; Xu, Zhenjie; Song, Xianzhen; Ding, Caifeng; Ju, Huangxian","Self-supplying coreactant radical and structural distortion induced by carbonate ligand in metal-organic framework for anomalous deep-red Self-electrochemiluminescence.","Chemical science","2025","16","27","12493","12498","10.1039/d5sc02359a","","x-ray","0.71073","MoKα","","0.0408","0.029","","","0.0629","0.0685","","","","","","1.033","","","","has coordinates,has disorder","301539","2025-08-05","21:15:59",""
"1574861","25.4801","0.0015","23.6113","0.0015","20.8659","0.0015","90","","127.581","0.004","90","","9948.4","1.2","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C116.654 H97.264 Ga8 N16.218 Nd2 O61.087 -","- C116.648 H97.264 Ga8 N16.216 Nd2 O61.092 -","- C233.296 H194.528 Ga16 N32.432 Nd4 O122.184 -","2","0.25","","Lathion, Timothée; Bourseguin, Julie; Eliseeva, Svetlana V.; Zeller, Matthias; Petoud, Stéphane; Pecoraro, Vincent L.","Novel lanthanide(iii)/gallium(iii) metallacrowns with appended visible-absorbing organic sensitizers for molecular near-infrared imaging of living cells.","Chemical science","2025","16","27","12623","12634","10.1039/d5sc01320h","","","0.71073","MoKα","","0.0757","0.0636","","","0.1821","0.1958","","","","","","1.032","","","","has coordinates,has disorder","301542","2025-08-05","21:17:07",""
"1574862","11.0048","0.0002","9.98913","0.00019","20.5935","0.0004","90","","99.8007","0.0019","90","","2230.77","0.07","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C46 H56 O17 -","- C46 H56 O17 -","- C92 H112 O34 -","2","1","","Zhang, Jing-Dong; Jie, Jia-Long; Yan, Shu-Yi; Zhang, Hui; Chen, Jia-Meng; Wu, Jiang-Cheng; Qin, Lu-Yang; Liu, Guang-Jian; Su, Hong-Mei; Xing, Guo-Wen","Single electron/energy transfer photocatalysis: α-/β-switchable synthesis of 3-deoxy-d-manno-oct-2-ulosonic acid <i>O</i>-glycosides.","Chemical science","2025","16","28","13070","13081","10.1039/d5sc02980e","","x-ray","1.54184","CuKα","","0.0548","0.0491","","","0.1348","0.1408","","","","","","1.051","","","","has coordinates","301538","2025-08-05","21:15:27",""
"1574863","10.19414","0.00011","11.29721","0.00014","28.984","0.0003","90","","90","","90","","3337.95","0.06","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 O17 -","- C30 H44 O17 -","- C120 H176 O68 -","4","1","","Zhang, Jing-Dong; Jie, Jia-Long; Yan, Shu-Yi; Zhang, Hui; Chen, Jia-Meng; Wu, Jiang-Cheng; Qin, Lu-Yang; Liu, Guang-Jian; Su, Hong-Mei; Xing, Guo-Wen","Single electron/energy transfer photocatalysis: α-/β-switchable synthesis of 3-deoxy-d-manno-oct-2-ulosonic acid <i>O</i>-glycosides.","Chemical science","2025","16","28","13070","13081","10.1039/d5sc02980e","","x-ray","1.54184","CuKα","","0.0542","0.0521","","","0.1309","0.1328","","","","","","1.059","","","","has coordinates","301538","2025-08-05","21:15:37",""
"1574864","11.3851","0.0008","11.3851","0.0008","64.721","0.007","90","","90","","120","","7265.2","1.1","100","2","100","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H35 F N2 O2 Si -","- C24 H35 F N2 O2 Si -","- C288 H420 F12 N24 O24 Si12 -","12","1","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","0.71073","MoKα","","0.0404","0.0378","","","0.092","0.0933","","","","","","1.152","","","","has coordinates","301551","2025-08-05","21:20:37",""
"1574865","5.2703","0.0003","13.9801","0.0009","21.4626","0.0014","90","","90","","90","","1581.35","0.17","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 F N2 O -","- C18 H21 F N2 O -","- C72 H84 F4 N8 O4 -","4","1","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","1.54178","CuKα","","0.0455","0.0443","","","0.1179","0.12","","","","","","1.05","","","","has coordinates","301551","2025-08-05","21:20:37",""
"1574866","11.6012","0.0002","14.6138","0.0003","17.9894","0.0003","90","","90","","90","","3049.88","0.1","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 F N2 -","- C18 H19 F N2 -","- C144 H152 F8 N16 -","8","2","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","0.71073","MoKα","","0.0358","0.0319","","","0.0772","0.0798","","","","","","1.016","","","","has coordinates,has disorder","301551","2025-08-05","21:20:37",""
"1574867","10.4984","0.0006","23.5281","0.0013","11.1188","0.0006","90","","109.222","0.0012","90","","2593.3","0.2","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H37 F N2 O2 Si -","- C25 H37 F N2 O2 Si -","- C100 H148 F4 N8 O8 Si4 -","4","2","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","0.71073","MoKα","","0.0397","0.0344","","","0.0829","0.086","","","","","","1.038","","","","has coordinates,has disorder","301551","2025-08-05","21:20:37",""
"1574868","10.6067","0.0019","10.8407","0.0019","10.999","0.002","61.01","0.004","70.064","0.004","89.897","0.005","1019.2","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C24 H24 F N O2 Si -","- C24 H24 F N O2 Si -","- C48 H48 F2 N2 O4 Si2 -","2","2","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","0.71073","MoKα","","0.0284","0.028","","","0.0806","0.081","","","","","","1.02","","","","has coordinates","301551","2025-08-05","21:20:37",""
"1574869","12.8653","0.0014","12.9386","0.0014","14.2525","0.0016","76.0784","0.0015","80.3071","0.0016","65.8644","0.0015","2094.9","0.4","90","2","90","2","","","","","","","","8","P 1","P 1","1","","","","- C80 H84 B F26 N4 Na O5 Si2 -","- C80 H84 B F26 N4 Na O5 Si2 -","- C80 H84 B F26 N4 Na O5 Si2 -","1","1","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","0.71073","MoKα","","0.0702","0.0596","","","0.1549","0.1649","","","","","","1.033","","","","has coordinates,has disorder","301551","2025-08-05","21:20:37",""
"1574870","9.70607","0.0001","14.11052","0.00014","11.3915","0.00012","90","","93.1395","0.0009","90","","1557.81","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 B N2 O2 -","- C14 H25 B N2 O2 -","- C56 H100 B4 N8 O8 -","4","1","","Hu, Guanwen; Zhang, Peiqi; Wang, Xinmou; Wan, Chunteng; Fu, Yiyi; Leung, Wa Hung; Lin, Zhenyang; Quan, Yangjian","Nickel-catalyzed diastereoselective hydroboration of acrylates with a vinylborane reagent.","Chemical science","2025","16","29","13449","13458","10.1039/d5sc02695d","","x-ray","1.54184","CuKα","","0.0365","0.0345","","","0.09","0.092","","","","","","1.029","","","","has coordinates","301531","2025-08-05","21:14:06",""
"1574871","12.01864","0.00011","11.91416","0.00009","28.869","0.0002","90","","92.2828","0.0008","90","","4130.53","0.06","99.98","0.1","99.98","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H43.75 B F6 N2 Ni P2 -","- C46 H43.75 B F6 N2 Ni P2 -","- C184 H175 B4 F24 N8 Ni4 P8 -","4","1","","Hu, Guanwen; Zhang, Peiqi; Wang, Xinmou; Wan, Chunteng; Fu, Yiyi; Leung, Wa Hung; Lin, Zhenyang; Quan, Yangjian","Nickel-catalyzed diastereoselective hydroboration of acrylates with a vinylborane reagent.","Chemical science","2025","16","29","13449","13458","10.1039/d5sc02695d","","x-ray","1.54184","CuKα","","0.0411","0.0349","","","0.0903","0.0947","","","","","","1.026","","","","has coordinates,has disorder","301531","2025-08-05","21:14:07",""
"1574872","10.3051","0.0003","13.6933","0.0005","13.8874","0.0003","90","","103.092","0.003","90","","1908.73","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 B N2 O3 -","- C14.03 H21.239 B N2 O2.403 -","- C56.12 H84.956 B4 N8 O9.612 -","4","1","","Hu, Guanwen; Zhang, Peiqi; Wang, Xinmou; Wan, Chunteng; Fu, Yiyi; Leung, Wa Hung; Lin, Zhenyang; Quan, Yangjian","Nickel-catalyzed diastereoselective hydroboration of acrylates with a vinylborane reagent.","Chemical science","2025","16","29","13449","13458","10.1039/d5sc02695d","","x-ray","1.54184","CuKα","","0.0739","0.0599","","","0.1487","0.1605","","","","","","1.074","","","","has coordinates,has disorder","301531","2025-08-05","21:14:07",""
"1574873","14.471","0.005","8.507","0.003","23.459","0.007","90","","90.215","0.007","90","","2887.9","1.7","273.15","","273.15","","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C58 H52 Br4 Mn2 N8 O10 -","- C58 H52 Br4 Mn2 N8 O10 -","- C116 H104 Br8 Mn4 N16 O20 -","2","1","","Paira, Soumen; Jain, Nupur; Adhikari, Debarsee; Sunoj, Raghavan B.; Sundararaju, Basker","<i>A priori</i> Design of [Mn(i)-Cinchona] catalyst for Asymmetric Hydrogenation of Ketones and β-Keto carbonyl Derivatives.","Chemical science","2025","16","30","13826","13837","10.1039/d5sc02606g","","","0.71073","MoKα","","0.1088","0.0809","","","0.1865","0.2002","","","","","","1.065","","","","has coordinates","301552","2025-08-05","21:20:47",""
"1574874","6.191","0.0003","12.6923","0.0006","18.1436","0.001","90","","90","","90","","1425.69","0.12","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","soumen","","- C13 H21 N O3 S -","- C13 H21 N O3 S -","- C52 H84 N4 O12 S4 -","4","1","","Paira, Soumen; Jain, Nupur; Adhikari, Debarsee; Sunoj, Raghavan B.; Sundararaju, Basker","<i>A priori</i> Design of [Mn(i)-Cinchona] catalyst for Asymmetric Hydrogenation of Ketones and β-Keto carbonyl Derivatives.","Chemical science","2025","16","30","13826","13837","10.1039/d5sc02606g","","","0.71073","MoKα","","0.0363","0.0306","","","0.0718","0.0764","","","","","","1.058","","","","has coordinates","301552","2025-08-05","21:20:48",""
"1574875","5.5996","0.0014","8.103","0.002","23.254","0.006","91.263","0.008","91.912","0.007","91.077","0.008","1054.1","0.5","273.15","","273.15","","","","","","","","","3","P 1","P 1","1","","","","- C14 H14 O -","- C14 H14 O -","- C56 H56 O4 -","4","4","","Paira, Soumen; Jain, Nupur; Adhikari, Debarsee; Sunoj, Raghavan B.; Sundararaju, Basker","<i>A priori</i> Design of [Mn(i)-Cinchona] catalyst for Asymmetric Hydrogenation of Ketones and β-Keto carbonyl Derivatives.","Chemical science","2025","16","30","13826","13837","10.1039/d5sc02606g","","","0.71073","MoKα","","0.1669","0.0977","","","0.2414","0.297","","","","","","1.013","","","","has coordinates,has disorder","301552","2025-08-05","21:20:48",""
"1574876","9.885","0.002","10.504","0.003","10.763","0.003","78.835","0.011","87.376","0.012","88.318","0.013","1095","0.5","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H24 O9 -","- C24 H24 O9 -","- C48 H48 O18 -","2","1","","Davidson, Daniel J.; Sansom, Geraud N.; Miles-Barrett, Daniel Mark; Cordes, David Bradford; Slawin, Alexandra; Montgomery, James R.D.; Lebl, Tomas; Connor, Ann; Danby, Andrew M.; Gronnow, Mark; Parry, Neil J.; Hosking, Sarah L.; Grainger, David S.; Westwood, Nicholas J.","Organosolv processing of Sitka Spruce sawdust: Large scale preparation of native-like lignin and ligninOX for valorisation","Faraday Discussions","2025","","","","","10.1039/D5FD00074B","","x-ray","0.71073","MoKα","","0.0888","0.0522","","","0.1218","0.1438","","","","","","1.074","","","","has coordinates","300081","2025-06-13","23:17:39",""
"1574877","15.8904","0.0003","18.3627","0.0006","20.0324","0.0004","99.057","0.002","96.562","0.002","93.372","0.002","5717","0.2","149.99","0.12","149.99","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C84 H92 N2 O20 S4 -","- C84 H94 N2 O20 S4 -","- C252 H282 N6 O60 S12 -","3","1.5","","Ma, Yao; Li, Dongxu; Chen, Xin; Hua, Xinqiang; Yuan, Cheng-Shan; Wang, Jianguo; Liu, Zitong; Zhang, Hao-Li; Shao, Xiangfeng","Valence state engineering in multi-heteroatom-doped PAHs: a strategy for tunable photophysical properties and phototheranostic potentials.","Chemical science","2025","16","28","13057","13069","10.1039/d5sc02061a","","x-ray","1.54184","CuKα","","0.1209","0.0711","","","0.1859","0.2189","","","","","","1.001","","","","has coordinates","301535","2025-08-05","21:14:47",""
"1574878","9.12078","0.00014","18.7864","0.0003","25.9913","0.0004","90","","92.9385","0.0014","90","","4447.67","0.12","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H52 F3 N O9 S Se2 -","- C47 H52 F3 N O9 S Se2 -","- C188 H208 F12 N4 O36 S4 Se8 -","4","1","","Ma, Yao; Li, Dongxu; Chen, Xin; Hua, Xinqiang; Yuan, Cheng-Shan; Wang, Jianguo; Liu, Zitong; Zhang, Hao-Li; Shao, Xiangfeng","Valence state engineering in multi-heteroatom-doped PAHs: a strategy for tunable photophysical properties and phototheranostic potentials.","Chemical science","2025","16","28","13057","13069","10.1039/d5sc02061a","","x-ray","1.54184","CuKα","","0.0847","0.0767","","","0.1918","0.1948","","","","","","1.171","","","","has coordinates","301535","2025-08-05","21:14:48",""
"1574879","9.106","0.0001","18.7587","0.0002","25.8895","0.0002","90","","93.085","0.001","90","","4415.95","0.08","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H52 F3 N O9 S3 -","- C47 H52 F3 N O9 S3 -","- C188 H208 F12 N4 O36 S12 -","4","1","","Ma, Yao; Li, Dongxu; Chen, Xin; Hua, Xinqiang; Yuan, Cheng-Shan; Wang, Jianguo; Liu, Zitong; Zhang, Hao-Li; Shao, Xiangfeng","Valence state engineering in multi-heteroatom-doped PAHs: a strategy for tunable photophysical properties and phototheranostic potentials.","Chemical science","2025","16","28","13057","13069","10.1039/d5sc02061a","","x-ray","1.54184","CuKα","","0.0592","0.0502","","","0.1327","0.1386","","","","","","1.017","","","","has coordinates","301535","2025-08-05","21:14:48",""
"1574880","13.90582","0.00011","15.07813","0.00013","15.90307","0.00014","112.371","0.0008","104.294","0.0007","100.202","0.0007","2848.02","0.05","178","2","178","2","","","","","","","","7","P 1","P 1","1","","I-Si","","- C104 H92 N4 O40 P4 Si W12 -","- C104 H92 N4 O40 P4 Si W12 -","- C104 H92 N4 O40 P4 Si W12 -","1","1","","Yonesato, Kentaro; Watanabe, Yota; Pascual-Borràs, Magda; Errington, R. John; Yamaguchi, Kazuya; Suzuki, Kosuke","Synthesis of a Keggin-type polyoxoselenidotungstate <i>via</i> site-selective oxygen-to-selenium substitution.","Chemical science","2025","16","29","13183","13188","10.1039/d5sc03340c","","x-ray","0.71073","MoKα","","0.0419","0.0321","","","0.05","0.0518","","","","","","1.016","","","","has coordinates,has disorder","301534","2025-08-05","21:14:34",""
"1574881","13.76778","0.0001","14.64503","0.0001","17.18784","0.00013","68.0094","0.0007","68.5531","0.0007","89.6202","0.0006","2956.65","0.04","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C100 H86 N2 O28 P4 Se12 Si W12 -","- C100 H86 N2 O28 P4 Se12 Si W12 -","- C100 H86 N2 O28 P4 Se12 Si W12 -","1","1","","Yonesato, Kentaro; Watanabe, Yota; Pascual-Borràs, Magda; Errington, R. John; Yamaguchi, Kazuya; Suzuki, Kosuke","Synthesis of a Keggin-type polyoxoselenidotungstate <i>via</i> site-selective oxygen-to-selenium substitution.","Chemical science","2025","16","29","13183","13188","10.1039/d5sc03340c","","x-ray","0.413","synchrotron","","0.0234","0.0217","","","0.0568","0.0574","","","","","","1.041","","","","has coordinates,has disorder","301534","2025-08-05","21:14:35",""
"1574882","10.8763","0.0004","10.8816","0.0004","11.2207","0.0004","106.765","0.001","113.872","0.001","92.592","0.001","1142.7","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N4 O12 U -","- C19 H20 N4 O12 U -","- C38 H40 N8 O24 U2 -","2","1","","Park, Kyoung Chul; Lim, Jaewoong; Thaggard, Grace C.; Maldeni Kankanamalage, Buddhima K. P.; Lehman-Andino, Ingrid; Liu, Yuan; Burrell, Jennii M.; Martin, Corey R.; Ta, An T.; Greytak, Andrew B.; Amoroso, Jake W.; DiPrete, David D.; Smith, Mark D.; Phillpot, Simon R.; Shustova, Natalia B.","Stimuli-responsive photoswitch-actinide binding: a match made in MOFs.","Chemical science","2025","16","31","14115","14126","10.1039/d5sc03171k","","x-ray","0.71073","MoKα","","0.0356","0.0332","","","0.0944","0.0952","","","","","","1.313","","","","has coordinates","302513","2025-10-06","07:45:33",""
"1574883","6.8431","0.0003","21.1213","0.0009","26.1977","0.0011","90","","90","","90","","3786.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H19 Cl N2 O5 -","- C20 H19 Cl N2 O5 -","- C160 H152 Cl8 N16 O40 -","8","1","","Park, Kyoung Chul; Lim, Jaewoong; Thaggard, Grace C.; Maldeni Kankanamalage, Buddhima K. P.; Lehman-Andino, Ingrid; Liu, Yuan; Burrell, Jennii M.; Martin, Corey R.; Ta, An T.; Greytak, Andrew B.; Amoroso, Jake W.; DiPrete, David D.; Smith, Mark D.; Phillpot, Simon R.; Shustova, Natalia B.","Stimuli-responsive photoswitch-actinide binding: a match made in MOFs.","Chemical science","2025","16","31","14115","14126","10.1039/d5sc03171k","","x-ray","0.71073","MoKα","","0.071","0.0532","","","0.106","0.1131","","","","","","1.095","","","","has coordinates","302513","2025-10-06","07:45:34",""
"1574884","9.6531","0.0005","14.4417","0.0006","9.9636","0.0005","90","","90","","90","","1389","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","1","","Chen, Tian; Wang, Hao-Yang; Xu, Ronghua; Xu, Guangqing; Yang, He; Sun, Jiangtao; Chung, Lung Wa; Tang, Wenjun","Asymmetric intramolecular reductive coupling of bisimines templated by chiral diborons.","Chemical science","2025","16","29","13298","13305","10.1039/d5sc03633j","","","0.71073","MoKα","","0.07","0.0577","","","0.1479","0.1608","","","","","","1.025","","","","has coordinates","301528","2025-08-05","21:12:54",""
"1574885","4.9546","0.0001","15.547","0.0004","19.2131","0.0005","90","","90","","90","","1479.97","0.06","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Chen, Tian; Wang, Hao-Yang; Xu, Ronghua; Xu, Guangqing; Yang, He; Sun, Jiangtao; Chung, Lung Wa; Tang, Wenjun","Asymmetric intramolecular reductive coupling of bisimines templated by chiral diborons.","Chemical science","2025","16","29","13298","13305","10.1039/d5sc03633j","","","1.54178","CuKα","","0.0326","0.0298","","","0.0802","0.081","","","","","","1.017","","","","has coordinates","301528","2025-08-05","21:12:54",""
"1574886","5.1594","0.0004","15.095","0.0011","18.2386","0.0013","90","","90","","90","","1420.44","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br N2 O -","- C17 H15 Br N2 O -","- C68 H60 Br4 N8 O4 -","4","1","","Chen, Tian; Wang, Hao-Yang; Xu, Ronghua; Xu, Guangqing; Yang, He; Sun, Jiangtao; Chung, Lung Wa; Tang, Wenjun","Asymmetric intramolecular reductive coupling of bisimines templated by chiral diborons.","Chemical science","2025","16","29","13298","13305","10.1039/d5sc03633j","","","1.54184","CuKα","","0.0539","0.0409","","","0.1025","0.1215","","","","","","1.084","","","","has coordinates","301528","2025-08-05","21:12:54",""
"1574887","3.8447","0.0002","12.8869","0.0008","30.8271","0.0016","90","","92.189","0.002","90","","1526.25","0.15","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N3 O2 -","- C21 H13 N3 O2 -","- C84 H52 N12 O8 -","4","1","","Lal, Anu; Sureshan, Kana M.","Isomer-dependent reactivity in the solid state: topochemical [4 + 4] <i>vs.</i> [4 + 2] cycloaddition reactions.","Chemical science","2025","16","29","13496","13502","10.1039/d5sc02327k","","","0.71073","MoKα","","0.0452","0.0385","","","0.1054","0.1115","","","","","","1.039","","","","has coordinates","301532","2025-08-05","21:14:15",""
"1574888","8.2554","0.0016","9.4866","0.0017","10.2722","0.0019","81.063","0.007","86.002","0.007","73.425","0.007","761.4","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 N3 O2 -","- C21 H13 N3 O2 -","- C42 H26 N6 O4 -","2","1","","Lal, Anu; Sureshan, Kana M.","Isomer-dependent reactivity in the solid state: topochemical [4 + 4] <i>vs.</i> [4 + 2] cycloaddition reactions.","Chemical science","2025","16","29","13496","13502","10.1039/d5sc02327k","","","0.71073","MoKα","","0.0971","0.0499","","","0.127","0.1589","","","","","","0.893","","","","has coordinates","301532","2025-08-05","21:14:15",""
"1574889","22.914","0.016","23.096","0.014","25.886","0.018","90","","90","","90","","13699","16","150","","150","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C136 H120 Cl12 F12 K2 O16 P2 -","- C136 H120 Cl12 F12 K2 O16 P2 -","- C544 H480 Cl48 F48 K8 O64 P8 -","4","1","","Hu, Yaning; Li, Tong; Su, Taotao; Shi, Wudi; Yu, Yabing; Li, Beibei; Li, Meng-Hua; Zhang, Sheng; Xu, Yuan-Qing; Liu, Qi; Wu, Di; Xu, Youzhi","Crown ether-cycloparaphenylene hybrid multimacrocycles: insights into supramolecular gas sensing and biological potential.","Chemical science","2025","16","28","13115","13121","10.1039/d5sc03476k","","x-ray","1.54184","CuKα","","0.0964","0.0755","","","0.2048","0.2215","","","","","","1.031","","","","has coordinates","301536","2025-08-05","21:15:03",""
"1574890","21.9739","0.0014","21.8794","0.0013","27.0805","0.0016","90","","106.434","0.003","90","","12487.7","1.3","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C80 H73.5 O8 -","- C80 H73.5 O8 -","- C640 H588 O64 -","8","2","","Hu, Yaning; Li, Tong; Su, Taotao; Shi, Wudi; Yu, Yabing; Li, Beibei; Li, Meng-Hua; Zhang, Sheng; Xu, Yuan-Qing; Liu, Qi; Wu, Di; Xu, Youzhi","Crown ether-cycloparaphenylene hybrid multimacrocycles: insights into supramolecular gas sensing and biological potential.","Chemical science","2025","16","28","13115","13121","10.1039/d5sc03476k","","x-ray","1.54184","CuKα","","0.1527","0.114","","","0.3217","0.3659","","","","","","1.256","","","","has coordinates,has disorder","301536","2025-08-05","21:15:04",""
"1574891","10.0108","0.0004","10.7763","0.0004","12.8755","0.0005","65.86","0.002","70.072","0.002","86.083","0.002","1187.54","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51.2 H38 F8.4 N2 O3.6 P2.8 S3.2 -","- C51.2 H38 F8.4 N2 O3.6 P2.8 S3.2 -","- C51.2 H38 F8.4 N2 O3.6 P2.8 S3.2 -","1","0.5","","Wu, Zixiang; Anderson, Christopher L.; Zhang, Teng-Shuo; Liu, Yi; Fu, Hongbing; Wang, Long","Side-chain ionization enables ultrafast intramolecular singlet fission in the azaquinodimethane skeleton.","Chemical science","2025","16","29","13374","13381","10.1039/d5sc01980j","","","0.7749","synchrotron","","0.0909","0.0653","","","0.1355","0.1507","","","","","","1.069","","","","has coordinates,has disorder","301530","2025-08-05","21:13:40",""
"1574892","21.251","0.0011","13.6392","0.0007","19.481","0.001","90","","101.806","0.003","90","","5527.1","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59.44 H42 F7.68 N2 O4.32 P2.56 S5.44 -","- C59.44 H42 F7.68 N2 O4.32 P2.56 S5.44 -","- C237.76 H168 F30.72 N8 O17.28 P10.24 S21.76 -","4","0.5","","Wu, Zixiang; Anderson, Christopher L.; Zhang, Teng-Shuo; Liu, Yi; Fu, Hongbing; Wang, Long","Side-chain ionization enables ultrafast intramolecular singlet fission in the azaquinodimethane skeleton.","Chemical science","2025","16","29","13374","13381","10.1039/d5sc01980j","","","0.7749","synchrotron","","0.0545","0.0442","","","0.1065","0.1139","","","","","","1.057","","","","has coordinates,has disorder","301530","2025-08-05","21:13:40",""
"1574893","9.8994","0.0007","10.0636","0.0007","22.7766","0.0017","93.244","0.003","100.968","0.003","95.729","0.003","2209.9","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C4 H4 Br Cl3 F39 O12 S3 Sb Te6 -","- C4 H4 Br Cl3 F39 O12 S3 Sb Te6 -","- C8 H8 Br2 Cl6 F78 O24 S6 Sb2 Te12 -","2","1","","Fischer, Lukas; Lee, Michael H.; Wiesner, Anja; Müller, Carsten; Riedel, Sebastian","On the synthesis and structure of reactive halonium ions.","Chemical science","2025","16","29","13229","13234","10.1039/d5sc03756e","","x-ray","0.71073","MoKα","","0.0364","0.0289","","","0.0549","0.0569","","","","","","1.136","","","","has coordinates","301524","2025-08-05","21:11:12",""
"1574894","13.8891","0.001","13.8891","0.001","13.2594","0.0014","90","","90","","120","","2215.1","0.3","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C4 H9 F30 O6 Sb Te6 -","- C4 H9 F30 O6 Sb Te6 -","- C12 H27 F90 O18 Sb3 Te18 -","3","0.333333","","Fischer, Lukas; Lee, Michael H.; Wiesner, Anja; Müller, Carsten; Riedel, Sebastian","On the synthesis and structure of reactive halonium ions.","Chemical science","2025","16","29","13229","13234","10.1039/d5sc03756e","","x-ray","0.71073","MoKα","","0.0338","0.0278","","","0.0524","0.0556","","","","","","1.078","","","","has coordinates","301524","2025-08-05","21:11:13",""
"1574895","9.9568","0.0007","10.0522","0.0006","10.7376","0.0008","92.26","0.003","114.527","0.003","119.573","0.002","808.81","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H6 F34 I O6 Sb Te6 -","- C4 H6 F34 I O6 Sb Te6 -","- C4 H6 F34 I O6 Sb Te6 -","1","0.5","","Fischer, Lukas; Lee, Michael H.; Wiesner, Anja; Müller, Carsten; Riedel, Sebastian","On the synthesis and structure of reactive halonium ions.","Chemical science","2025","16","29","13229","13234","10.1039/d5sc03756e","","x-ray","0.71073","MoKα","","0.0342","0.0316","","","0.0668","0.0685","","","","","","1.085","","","","has coordinates,has disorder","301524","2025-08-05","21:11:13",""
"1574896","9.8884","0.0008","10.0411","0.0008","22.687","0.002","93.5","0.004","100.671","0.003","95.798","0.003","2195","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C4 H4 Cl4 F39 O12 S3 Sb Te6 -","- C4 H4 Cl4 F39 O12 S3 Sb Te6 -","- C8 H8 Cl8 F78 O24 S6 Sb2 Te12 -","2","1","","Fischer, Lukas; Lee, Michael H.; Wiesner, Anja; Müller, Carsten; Riedel, Sebastian","On the synthesis and structure of reactive halonium ions.","Chemical science","2025","16","29","13229","13234","10.1039/d5sc03756e","","x-ray","0.71073","MoKα","","0.0404","0.0368","","","0.0879","0.0899","","","","","","1.187","","","","has coordinates","301524","2025-08-05","21:11:13",""
"1574897","12.2416","0.0001","14.7054","0.0001","22.9539","0.0002","90","","90","","90","","4132.11","0.06","100.02","0.1","100.02","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H23 F2 O2 P -","- C24 H23 F2 O2 P -","- C192 H184 F16 O16 P8 -","8","1","","Kurosawa, Miki B.; Shimoyama, Shuhei; Tanaka, Hiroki; Yamaguchi, Junichiro","Difluoroenol phosphinates as difluoroenolate surrogates: synthesis and applications in defluorination and deoxygenative coupling.","Chemical science","2025","16","29","13390","13400","10.1039/d5sc03915k","","x-ray","1.54184","CuKα","","0.0334","0.0319","","","0.0811","0.0822","","","","","","1.051","","","","has coordinates","301533","2025-08-05","21:14:22",""
"1574898","12.1027","0.0003","23.1001","0.0005","13.4641","0.0003","90","","100.031","0.002","90","","3706.67","0.15","170","0.1","170","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H30 Ag2 Cl2 N4 O6 P2 -","- C35 H30 Ag2 Cl2 N4 O6 P2 -","- C140 H120 Ag8 Cl8 N16 O24 P8 -","4","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0354","0.0258","","","0.0568","0.0599","","","","","","1.051","","","","has coordinates","302709","2025-10-06","10:04:32",""
"1574899","12.1045","0.0003","23.0824","0.0006","13.4651","0.0004","90","","99.943","0.003","90","","3705.65","0.18","170.01","0.1","170.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H60 Ag4 Cl4 N8 O12 P4 -","- C70 H60 Ag4 Cl4 N8 O12 P4 -","- C140 H120 Ag8 Cl8 N16 O24 P8 -","2","0.5","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0382","0.0291","","","0.0685","0.0716","","","","","","1.069","","","","has coordinates","302709","2025-10-06","10:04:32",""
"1574900","11.8363","0.0004","12.1943","0.0004","13.6499","0.0005","85.2","0.003","72.917","0.003","78.512","0.003","1844.85","0.12","170.01","0.1","170.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 Ag2 Cl2 N4 O6 P2 -","- C35 H30 Ag2 Cl2 N4 O6 P2 -","- C70 H60 Ag4 Cl4 N8 O12 P4 -","2","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0381","0.0294","","","0.0716","0.0755","","","","","","1.087","","","","has coordinates,has disorder","302709","2025-10-06","10:04:32",""
"1574901","12.0949","0.0003","23.1016","0.0006","13.4621","0.0004","90","","99.92","0.003","90","","3705.23","0.18","170","4","170","4","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H60 Ag4 Cl4 N8 O12 P4 -","- C70 H60 Ag4 Cl4 N8 O12 P4 -","- C140 H120 Ag8 Cl8 N16 O24 P8 -","2","0.5","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.047","0.0349","","","0.0868","0.0908","","","","","","1.042","","","","has coordinates","302709","2025-10-06","10:04:32",""
"1574902","13.9512","0.0006","13.9512","0.0006","51.4858","0.0019","90","","90","","120","","8678.4","0.6","170","0.1","170","0.1","","","","","","","","5","P -3","-P 3","147","","","","- C68 H56 Ag N4 P4 -","- C68.0001 H56.0001 Ag N3.9999 P4 -","- C408.001 H336.001 Ag6 N23.9994 P24 -","6","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.1727","0.1187","","","0.3111","0.3508","","","","","","1.047","","","","has coordinates,has disorder","302709","2025-10-06","10:04:32",""
"1574903","12.0844","0.0003","12.6564","0.0004","19.7598","0.0004","96.807","0.002","92.743","0.002","116.31","0.003","2672.83","0.14","170.01","0.1","170.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C53 H46 Ag2 Cl4 N5 O6 P3 -","- C53 H46 Ag2 Cl4 N5 O6 P3 -","- C106 H92 Ag4 Cl8 N10 O12 P6 -","2","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0395","0.0316","","","0.08","0.0844","","","","","","1.109","","","","has coordinates","302709","2025-10-06","10:04:32",""
"1574904","13.9512","0.0006","13.9512","0.0006","51.4858","0.0019","90","","90","","120","","8678.4","0.6","170","0.1","170","0.1","","","","","","","","5","P -3","-P 3","147","","","","- C60 H48 Ag N12 P4 -","- C60 H48 Ag N12 P4 -","- C360 H288 Ag6 N72 P24 -","6","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.2127","0.1426","","","0.3764","0.4233","","","","","","1.196","","","","has coordinates","302709","2025-10-06","10:04:32",""
"1574905","23.4191","0.0003","23.3178","0.0003","23.2829","0.0004","90","","91.001","0.001","90","","12712.4","0.3","170","0.1","170","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H56 Ag4 Cl4 N4 P4 -","- C68 H56 Ag4 Cl4 N4 P4 -","- C544 H448 Ag32 Cl32 N32 P32 -","8","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0354","0.0296","","","0.0649","0.0665","","","","","","1.118","","","","has coordinates","302709","2025-10-06","10:04:32",""
"1574906","12.1131","0.0003","23.0872","0.0006","13.4732","0.0004","90","","99.908","0.002","90","","3711.69","0.17","170","0.1","170","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H30 Ag2 Cl2 N4 O6 P2 -","- C35 H30 Ag2 Cl2 N4 O6 P2 -","- C140 H120 Ag8 Cl8 N16 O24 P8 -","4","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0438","0.0324","","","0.0816","0.086","","","","","","1.042","","","","has coordinates,has disorder","302709","2025-10-06","10:04:32",""
"1574907","11.9246","0.0005","13.9944","0.0004","19.0615","0.0007","89.788","0.003","89.154","0.003","82.33","0.003","3152.1","0.2","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C70 H62 Ag Cl2 N5 O4 P4 -","- C70 H62 Ag Cl2 N5 O4 P4 -","- C140 H124 Ag2 Cl4 N10 O8 P8 -","2","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0739","0.063","","","0.181","0.189","","","","","","1.063","","","","has coordinates,has disorder","302709","2025-10-06","10:04:32",""
"1574908","11.9103","0.0003","13.7805","0.0004","19.6808","0.0005","91.203","0.002","91.613","0.002","96.934","0.002","3204.34","0.15","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C70.79 H63.59 Ag Cl1.59 N5 O4 P4 -","- C70.794 H63.588 Ag Cl1.588 N5 O4 P4 -","- C141.588 H127.176 Ag2 Cl3.176 N10 O8 P8 -","2","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0475","0.0399","","","0.1089","0.1128","","","","","","1.033","","","","has coordinates,has disorder","302709","2025-10-06","10:04:32",""
"1574909","11.9418","0.0006","13.8033","0.0007","19.6503","0.0009","90.997","0.004","91.482","0.004","96.769","0.004","3214.7","0.3","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C70 H58 Ag Cl2 N4 O3 P4 -","- C70 H58 Ag Cl2 N4 O3 P4 -","- C140 H116 Ag2 Cl4 N8 O6 P8 -","2","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.1735","0.1139","","","0.2995","0.3364","","","","","","1.048","","","","has coordinates","302709","2025-10-06","10:04:32",""
"1574910","12.9844","0.0006","13.1743","0.0005","14.0881","0.0005","89.488","0.003","68.446","0.004","86.972","0.004","2238.12","0.17","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H43 Ag Cl2 N3 P3 -","- C51.5 H43 Ag Cl2 N3 P3 -","- C103 H86 Ag2 Cl4 N6 P6 -","2","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0671","0.0437","","","0.1113","0.1196","","","","","","1.054","","","","has coordinates,has disorder","302709","2025-10-06","10:04:32",""
"1574911","12.743","0.0004","12.7623","0.0005","16.6375","0.0006","79.654","0.003","74.705","0.003","64.242","0.004","2344.01","0.17","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C104 H88 Ag2 Cl5 N6 P6 -","- C104 H88 Ag2 Cl5 N6 P6 -","- C104 H88 Ag2 Cl5 N6 P6 -","1","0.5","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0683","0.0546","","","0.1436","0.1505","","","","","","1.043","","","","has coordinates,has disorder","302709","2025-10-06","10:04:32",""
"1574912","13.0055","0.0004","13.185","0.0003","14.0637","0.0004","89.567","0.002","68.565","0.003","87.069","0.002","2241.71","0.12","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H43 Ag Cl2 N3 P3 -","- C51.5 H43 Ag Cl2 N3 P3 -","- C103 H86 Ag2 Cl4 N6 P6 -","2","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0463","0.035","","","0.0888","0.0937","","","","","","1.054","","","","has coordinates,has disorder","302709","2025-10-06","10:04:32",""
"1574913","12.0794","0.0002","12.6498","0.0002","19.7666","0.0004","96.679","0.002","92.826","0.002","116.357","0.002","2670.68","0.1","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C53 H46 Ag2 Cl4 N5 O6 P3 -","- C53 H46 Ag2 Cl4 N5 O6 P3 -","- C106 H92 Ag4 Cl8 N10 O12 P6 -","2","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0366","0.0294","","","0.0672","0.07","","","","","","1.051","","","","has coordinates","302709","2025-10-06","10:04:32",""
"1574914","9.6606","0.0004","15.0395","0.0007","18.49","0.0009","84.896","0.004","89.124","0.004","87.16","0.004","2672.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H16 F8 N2 -","- C35 H16 F8 N2 -","- C140 H64 F32 N8 -","4","2","","Hu, Wenbo; Li, Heng; Yuan, Bingxin","Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis.","Chemical science","2025","16","30","13794","13806","10.1039/d5sc02837j","","x-ray","1.54184","CuKα","","0.0949","0.0614","","","0.1744","0.2065","","","","","","1.026","","","","has coordinates","301550","2025-08-05","21:20:19",""
"1574915","8.7918","0.0009","9.1879","0.0011","10.5298","0.001","72.342","0.009","70.631","0.009","67.564","0.01","726.3","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H4 F8 N2 -","- C17 H4 F8 N2 -","- C34 H8 F16 N4 -","2","1","","Hu, Wenbo; Li, Heng; Yuan, Bingxin","Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis.","Chemical science","2025","16","30","13794","13806","10.1039/d5sc02837j","","x-ray","1.54184","CuKα","","0.0632","0.0479","","","0.1336","0.1522","","","","","","1.054","","","","has coordinates","301550","2025-08-05","21:20:20",""
"1574916","9.9143","0.001","10.2042","0.001","11.3792","0.0012","80.453","0.008","70.664","0.01","87.322","0.008","1071.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H10 F8 N2 -","- C27 H10 F8 N2 -","- C54 H20 F16 N4 -","2","1","","Hu, Wenbo; Li, Heng; Yuan, Bingxin","Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis.","Chemical science","2025","16","30","13794","13806","10.1039/d5sc02837j","","x-ray","1.54184","CuKα","","0.084","0.0562","","","0.1577","0.189","","","","","","1.024","","","","has coordinates,has disorder","301550","2025-08-05","21:20:20",""
"1574917","15.6247","0.001","13.0336","0.0006","8.6155","0.0006","90","","115.441","0.008","90","","1584.4","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 F13 N -","- C18 F13 N -","- C72 F52 N4 -","4","0.5","","Hu, Wenbo; Li, Heng; Yuan, Bingxin","Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis.","Chemical science","2025","16","30","13794","13806","10.1039/d5sc02837j","","x-ray","1.54184","CuKα","","0.0549","0.0429","","","0.1174","0.1337","","","","","","1.039","","","","has coordinates","301550","2025-08-05","21:20:20",""
"1574918","18.4815","0.0007","11.2751","0.0004","21.751","0.0009","90","","90","","90","","4532.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H13 F8 N O -","- C29 H13 F8 N O -","- C232 H104 F64 N8 O8 -","8","1","","Hu, Wenbo; Li, Heng; Yuan, Bingxin","Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis.","Chemical science","2025","16","30","13794","13806","10.1039/d5sc02837j","","x-ray","1.54184","CuKα","","0.0639","0.0463","","","0.1276","0.1432","","","","","","1.028","","","","has coordinates","301550","2025-08-05","21:20:20",""
"1574919","8.5802","0.0005","9.2837","0.0003","18.2358","0.0003","97.408","0.002","98.221","0.003","105.005","0.004","1367.56","0.1","293","4","293","4","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cl5 In N2 -","- C26 H24 Cl5 In N2 -","- C52 H48 Cl10 In2 N4 -","2","1","","Chen, Chudong; Li, Ziquan; Xiao, Yonghong; Ye, Chenghao; Wei, Jianwu; Zeng, Ruosheng; Pang, Qi; Luo, Binbin","Photosalient effect and reversible photochromic photoluminescence driven by cascade [2 + 2] cycloaddition reaction and water adsorption in a 0D hybrid metal halide.","Chemical science","2025","16","30","13731","13740","10.1039/d5sc03344f","","x-ray","1.54184","CuKα","","0.0367","0.0325","","","0.0861","0.0882","","","","","","1.082","","","","has coordinates,has disorder","301553","2025-08-05","21:20:57",""
"1574920","10.8192","0.0004","11.7903","0.0005","11.9138","0.0005","99.72","0.004","92.935","0.003","98.493","0.003","1476.98","0.11","199.99","0.1","199.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Cl5 In N2 O -","- C26 H26 Cl5 In N2 O -","- C52 H52 Cl10 In2 N4 O2 -","2","1","","Chen, Chudong; Li, Ziquan; Xiao, Yonghong; Ye, Chenghao; Wei, Jianwu; Zeng, Ruosheng; Pang, Qi; Luo, Binbin","Photosalient effect and reversible photochromic photoluminescence driven by cascade [2 + 2] cycloaddition reaction and water adsorption in a 0D hybrid metal halide.","Chemical science","2025","16","30","13731","13740","10.1039/d5sc03344f","","x-ray","1.54184","CuKα","","0.0894","0.0801","","","0.2314","0.242","","","","","","1.03","","","","has coordinates,has disorder","301553","2025-08-05","21:20:58",""
"1574921","10.8121","0.0003","15.0764","0.0005","18.006","0.0004","90.349","0.002","91.409","0.002","95.489","0.002","2920.67","0.14","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 Cl10 In2 N4 O -","- C52 H50 Cl10 In2 N4 O -","- C104 H100 Cl20 In4 N8 O2 -","2","1","","Chen, Chudong; Li, Ziquan; Xiao, Yonghong; Ye, Chenghao; Wei, Jianwu; Zeng, Ruosheng; Pang, Qi; Luo, Binbin","Photosalient effect and reversible photochromic photoluminescence driven by cascade [2 + 2] cycloaddition reaction and water adsorption in a 0D hybrid metal halide.","Chemical science","2025","16","30","13731","13740","10.1039/d5sc03344f","","x-ray","1.54184","CuKα","","0.102","0.0641","","","0.1612","0.1738","","","","","","1.059","","","","has coordinates,has disorder","301553","2025-08-05","21:20:58",""
"1574922","8.9084","0.0005","9.6525","0.0007","22.6244","0.0015","90","","90","","90","","1945.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C88 H108 N4 O12 -","4","1","","Ray, Ranay Kumar; Sudhadevi Antharjanam, P. K.; Chakraborty, Debashis","Efficient and Controlled Ring-Opening Copolymerization of Cyclohexene Oxide with Cyclic Anhydrides Catalyzed by Proline-based Chiral Alkyl Al(III) Compounds","Faraday Discussions","2025","","","","","10.1039/D5FD00048C","","","0.71073","MoKα","","0.0364","0.0343","","","0.0875","0.0887","","","","","","1.064","","","","has coordinates","300166","2025-06-23","23:14:24",""
"1574923","13.2631","0.0007","7.2788","0.0005","15.3502","0.0009","90","","100.335","0.002","90","","1457.86","0.15","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H38 Al F2 N O3 -","- C31 H38 Al F2 N O3 -","- C62 H76 Al2 F4 N2 O6 -","2","1","","Ray, Ranay Kumar; Sudhadevi Antharjanam, P. K.; Chakraborty, Debashis","Efficient and Controlled Ring-Opening Copolymerization of Cyclohexene Oxide with Cyclic Anhydrides Catalyzed by Proline-based Chiral Alkyl Al(III) Compounds","Faraday Discussions","2025","","","","","10.1039/D5FD00048C","","","0.71073","MoKα","","0.0373","0.0356","","","0.0946","0.0962","","","","","","1.03","","","","has coordinates","300166","2025-06-23","23:14:26",""
"1574924","9.4226","0.0004","14.8275","0.0005","20.4148","0.0008","90","","90","","90","","2852.23","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 Al N O3 -","- C31 H40 Al N O3 -","- C124 H160 Al4 N4 O12 -","4","1","","Ray, Ranay Kumar; Sudhadevi Antharjanam, P. K.; Chakraborty, Debashis","Efficient and Controlled Ring-Opening Copolymerization of Cyclohexene Oxide with Cyclic Anhydrides Catalyzed by Proline-based Chiral Alkyl Al(III) Compounds","Faraday Discussions","2025","","","","","10.1039/D5FD00048C","","","0.71073","MoKα","","0.0391","0.036","","","0.0872","0.0891","","","","","","1.074","","","","has coordinates,has disorder","300166","2025-06-23","23:14:26",""
"1574925","9.466","0.002","9.466","0.002","49.901","0.01","90","0.03","90","0.03","120","0.03","3872.3","1.8","120","2","120","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C52 H72 Al2 N2 O7 -","- C52 H72 Al2 N2 O7 -","- C156 H216 Al6 N6 O21 -","3","0.5","","Ray, Ranay Kumar; Sudhadevi Antharjanam, P. K.; Chakraborty, Debashis","Efficient and Controlled Ring-Opening Copolymerization of Cyclohexene Oxide with Cyclic Anhydrides Catalyzed by Proline-based Chiral Alkyl Al(III) Compounds","Faraday Discussions","2025","","","","","10.1039/D5FD00048C","","","0.71073","MoKα","","0.0641","0.0591","","","0.1369","0.14","","","","","","1.18","","","","has coordinates,has disorder","300166","2025-06-23","23:14:26",""
"1574926","8.7109","0.0005","7.5919","0.0005","33.2317","0.0018","90","","91.246","0.005","90","","2197.2","0.2","295","3","295","3","","","","","","","","5","C 1 2 1","C 2y","5","","C19H40NO2Cl","","- C19 H40 Cl N O2 -","- C19 H40 Cl N O2 -","- C76 H160 Cl4 N4 O8 -","4","1","","Choudhury, Suman Kumar; Chinapaka, Ravindar; Manasa, Konga; Swamy, Musti J.","Synthesis and characterization of long chain <i>O</i>-acyl-L-alaninols and investigation of drug encapsulation and release by equimolar <i>O</i>-myristoyl-L-alaninol/SDS catanionic liposomes.","Soft matter","2025","21","28","5728","5742","10.1039/d5sm00499c","","x-ray","0.71073","MoKα","","0.0906","0.0652","","","0.1546","0.1857","","","","","","0.993","","","","has coordinates","301644","2025-08-05","22:34:45",""
"1574927","9.0685","0.0005","7.4023","0.0004","34.118","0.003","90","","95.383","0.006","90","","2280.2","0.3","297.6","0.5","297.6","0.5","","","","","","","","5","C 1 2 1","C 2y","5","","C20H42NO2Cl","","- C40 H84 Cl2 N2 O4 -","- C40 H84 Cl2 N2 O4 -","- C80 H168 Cl4 N4 O8 -","2","0.5","","Choudhury, Suman Kumar; Chinapaka, Ravindar; Manasa, Konga; Swamy, Musti J.","Synthesis and characterization of long chain <i>O</i>-acyl-L-alaninols and investigation of drug encapsulation and release by equimolar <i>O</i>-myristoyl-L-alaninol/SDS catanionic liposomes.","Soft matter","2025","21","28","5728","5742","10.1039/d5sm00499c","","x-ray","0.71073","MoKα","","0.1005","0.0638","","","0.1446","0.166","","","","","","0.965","","","","has coordinates","301644","2025-08-05","22:34:45",""
"1574928","9.5548","0.0002","10.702","0.0003","18.4654","0.0005","74.0508","0.001","86.9998","0.001","76.0888","0.0009","1762.06","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(α,α'-Bis[(<i>tert</i>-butyl)(6-methoxypyridin-2-yl)phosphino]-<i>o</i>-xylene}(η^2^-<i>N</i>-methylmaleinimide)palladium(0) toluene hemisolvate","","- C36.5 H47 N3 O4 P2 Pd -","- C36.5 H47 N3 O4 P2 Pd -","- C73 H94 N6 O8 P4 Pd2 -","2","1","HB4516","Müller, Stefan; Spannenberg, Anke; Neumann, Helfried; Franke, Robert; Beller, Matthias","{α,α′-Bis[(tert-butyl)(6-methoxypyridin-2-yl)phosphino]-o-xylene}(η2-N-methylmaleinimide)palladium(0) toluene hemisolvate","IUCrData","2025","10","6","x250508","","10.1107/S2414314625005085","","","1.54178","CuKα","","0.0231","0.0219","","","0.056","0.0568","","","","","","1.064","","","","has coordinates,has disorder","300370","2025-07-05","10:15:23",""
"1574929","8.84082","0.00017","9.48683","0.00018","11.6797","0.0002","95.3496","0.0016","91.0661","0.0016","103.592","0.0017","947.18","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-[(2-Bromophenyl)diphenylmethyl]-3-(trifluoromethyl)-1<i>H</i>-pyrazole; 1-(triphenylmethyl)-3-(trifluoromethyl)-1<i>H</i>-pyrazole","","- C23 H16.36 Br0.64 F3 N2 -","- C23 H16.362 Br0.638 F3 N2 -","- C46 H32.724 Br1.276 F6 N4 -","2","1","HB4519","Guseinov, Firudin I.; Samigullina, Aida I.; Hökelek, Tuncer; Hamidov, Sahil Z.; Lasri, Jamal; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.","1-[(2-Bromophenyl)diphenylmethyl]-3-(trifluoromethyl)-1H-pyrazole–1-(triphenylmethyl)-3-(trifluoromethyl)-1H-pyrazole (0.638:0.362)","IUCrData","2025","10","6","x250466","","10.1107/S2414314625004663","","","1.54184","CuKα","","0.0377","0.0371","","","0.0948","0.0952","","","","","","1.046","","","","has coordinates,has disorder","300370","2025-07-05","10:15:24",""
"1574930","8.97833","0.00009","10.13609","0.00009","12.85096","0.00015","90","","110.357","0.0013","90","","1096.46","0.02","100","0.3","100","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4-Fluorophenyl)imidazo[1,2-<i>a</i>]pyridine-2-carbaldehyde","","- C14 H9 F N2 O -","- C14 H9 F N2 O -","- C56 H36 F4 N8 O4 -","4","1","HB4525","Guseinov, Firudin I.; Samigullina, Aida I.; Hökelek, Tuncer; Hamidov, Sahil Z.; Lasri, Jamal; Hasanov, Khudayar I.; Guliyeva, Narmina A.; Belay, Alebel N.","3-(4-Fluorophenyl)imidazo[1,2-a]pyridine-2-carbaldehyde","IUCrData","2025","10","6","x250553","","10.1107/S241431462500553X","","x-ray","1.54184","CuKα","","0.0363","0.0355","","","0.0954","0.0961","","","","","","1.073","","","","has coordinates","300370","2025-07-05","10:15:24",""
"1574931","9.1504","0.0013","11.6521","0.0016","24.868","0.004","95.453","0.003","98.296","0.003","90.372","0.003","2611.3","0.7","130","2","130","2","","","","","","","","5","P -1","-P 1","2","(η^4^-Trimethylenemethane)(1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane)ruthenium(II) diethyl ether hemisolvate","(η^4^-2-Methylidenepropane-1,3-diyl)(1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane)ruthenium(II) diethyl ether hemisolvate","","- C53 H62 O6.5 P3 Ru -","- C53 H62 O6.5 P3 Ru -","- C106 H124 O13 P6 Ru2 -","2","1","HB4517","Stein, Carolin A. M.; Alberico, Elisabetta; Spannenberg, Anke; Beller, Matthias; Junge, Henrik","(η4-Trimethylenemethane)(1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane)ruthenium(II) diethyl ether hemisolvate","IUCrData","2025","10","6","x250524","","10.1107/S2414314625005243","","","0.71073","MoKα","","0.0382","0.0343","","","0.0819","0.0841","","","","","","1.099","","","","has coordinates,has disorder","300370","2025-07-05","10:15:24",""
"1574932","17.0276","0.0003","17.0276","0.0003","21.6388","0.0005","90","","90","","120","","5433.39","0.18","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","Tris(2,2'-bipyridine)iron(II) tris(dicyanomethylidene)methanediide","","- C40 H24 Fe N12 -","- C40 H24 Fe N12 -","- C240 H144 Fe6 N72 -","6","0.333333","BT4174","Messalti, Said Abdelghafour; Setifi, Fatima; Böhme, Uwe; Setifi, Zouaoui; Al-Douh, Mohammad Hadi","Tris(2,2′-bipyridine)iron(II) tris(dicyanomethylidene)methanediide","IUCrData","2025","10","6","x250503","","10.1107/S2414314625005036","","","0.71073","MoKα","","0.0447","0.0329","","","0.0817","0.0913","","","","","","1.052","","","","has coordinates","300370","2025-07-05","10:15:24",""
"1574933","7.28265","0.0001","8.6472","0.00015","34.8789","0.0003","90","","90","","90","","2196.48","0.05","100","2","99.9","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,3,4,6-Tetra-<i>O</i>-acetyl-1-[(dimethylcarbamothioyl)sulfanyl]-β-<i>D</i>-galactopyranose","","- C17 H25 N O9 S2 -","- C17 H25 N O9 S2 -","- C68 H100 N4 O36 S8 -","4","1","BT4175","Mohamed-Ezzat, Reham A.; Elgemeie, Galal H.; Jones, Peter G.","2,3,4,6-Tetra-O-acetyl-1-[(dimethylcarbamothioyl)sulfanyl]-β-D-galactopyranose","IUCrData","2025","10","6","x250544","","10.1107/S2414314625005449","","x-ray","0.71073","MoKα","","0.0333","0.0306","","","0.0813","0.0825","","","","","","1.119","","","","has coordinates","300370","2025-07-05","10:15:24",""
"1574934","10.944","0.003","11.234","0.003","11.377","0.003","90","","112.481","0.004","90","","1292.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Methyl 3-[(tert-butoxycarbonyl)amino]benzoate","Methyl 3-[(tert-butoxycarbonyl)amino]benzoate","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C52 H68 N4 O16 -","4","1","HB4522","Ponmagaram, Murugesan; Saranraj, Krishnan; Raja, Karuppiah Muruga Poopathi","Methyl 3-[(tert-butoxycarbonyl)amino]benzoate","IUCrData","2025","10","6","x250542","","10.1107/S2414314625005425","","","0.71073","MoKα","","0.0999","0.0497","","","0.103","0.1212","","","","","","1.009","","","","has coordinates","300370","2025-07-05","10:15:24",""
"1574935","11.519","0.0002","12.4798","0.0002","19.5537","0.0003","90","","90","","90","","2810.94","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>S</i>)-Diiodido{3,3'-methylenebis[1-(1-hydroxy-4-methylpentan-2-yl)imidazol-2-ylene]}palladium(II) ethanol monosolvate","","- C21 H38 I2 N4 O3 Pd -","- C21 H38 I2 N4 O3 Pd -","- C84 H152 I8 N16 O12 Pd4 -","4","1","ZL4080","Liao, Ping; Wang, Yanping; Zhong, Li; Yuan, Jinwei; Yang, Liangru","(S,S)-Diiodido{3,3′-methylenebis[1-(1-hydroxy-4-methylpentan-2-yl)imidazol-2-ylene]}palladium(II) ethanol monosolvate","IUCrData","2025","10","6","x250423","","10.1107/S2414314625004237","","x-ray","1.54184","CuKα","","0.0443","0.0402","","","0.0945","0.0988","","","","","","1.043","","","","has coordinates,has disorder","300370","2025-07-05","10:15:24",""
"1574936","7.7661","0.0002","8.1535","0.0003","13.3262","0.0005","93.392","0.003","102.488","0.003","95.435","0.003","817.4","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","5,5-Bis{<i>N</i>-(4-pyridyl)methylcarbamoyl}-2,2-bipyridine bis[hexafluoridophosphate(V)] acetonitrile disolvate","4,4'-{[(2,2'-Bipyridine)-5,5'-dicarbonyl]bis(azanediyl)}bis(1-methylpyridin-1-ium) bis[hexafluoridophosphate(V)] acetonitrile disolvate","","- C28 H28 F12 N8 O2 P2 -","- C28 H28 F11.9952 N8 O2 P2 -","- C28 H28 F11.9952 N8 O2 P2 -","1","0.5","ZL4084","Sueyoshi, Fumika; Sakai, Ken","4,4′-{[(2,2′-Bipyridine)-5,5′-dicarbonyl]bis(azanediyl)}bis(1-methylpyridin-1-ium) bis[hexafluoridophosphate(V)] acetonitrile disolvate","IUCrData","2025","10","6","x250517","","10.1107/S2414314625005176","","","0.71073","MoKα","","0.0642","0.0479","","","0.1137","0.1229","","","","","","1.09","","","","has coordinates,has disorder","300370","2025-07-05","10:15:25",""
"1574937","17.9573","0.0003","14.299","0.0002","14.6854","0.0002","90","","90","","90","","3770.79","0.1","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H33 Mn2 N10 O5 Re -","- C38 H33 Mn2 N10 O5 Re -","- C152 H132 Mn8 N40 O20 Re4 -","4","1","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.4139","synchrotron","","0.0457","0.0413","","","0.1174","0.1216","","","","","","1.083","","","","has coordinates","301529","2025-08-05","21:13:27",""
"1574938","14.4061","0.0003","14.4061","0.0003","18.3403","0.0008","90","","90","","90","","3806.3","0.2","300","","300","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.25","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0721","0.0572","","","0.1098","0.1135","","","","","","1.359","","","","has coordinates","301529","2025-08-05","21:13:29",""
"1574939","14.4843","0.0004","14.4843","0.0004","18.3887","0.0009","90","","90","","90","","3857.9","0.2","420","","420","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.25","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0663","0.0439","","","0.1035","0.1132","","","","","","1.126","","","","has coordinates","301529","2025-08-05","21:13:29",""
"1574940","14.3742","0.0003","14.3742","0.0003","18.1157","0.0006","90","","90","","90","","3743.02","0.17","170","","170","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.5","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0626","0.0574","","","0.1446","0.1469","","","","","","1.138","","","","has coordinates,has disorder","301529","2025-08-05","21:13:29",""
"1574941","14.4601","0.0004","14.4601","0.0004","18.3914","0.0009","90","","90","","90","","3845.5","0.2","400","","400","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.25","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0672","0.0405","","","0.0878","0.0972","","","","","","1.113","","","","has coordinates","301529","2025-08-05","21:13:29",""
"1574942","14.4217","0.0004","14.4217","0.0004","18.3812","0.0009","90","","90","","90","","3823","0.2","330","","330","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.25","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0594","0.0392","","","0.084","0.0904","","","","","","1.146","","","","has coordinates","301529","2025-08-05","21:13:29",""
"1574943","14.3719","0.0003","14.3719","0.0003","18.0827","0.0006","90","","90","","90","","3735.01","0.17","150","","150","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C38 H26 Mn2 N10 O4 Re -","- C38 H26 Mn2 N10 O4 Re -","- C152 H104 Mn8 N40 O16 Re4 -","4","0.5","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0639","0.059","","","0.1482","0.1506","","","","","","1.131","","","","has coordinates,has disorder","301529","2025-08-05","21:13:29",""
"1574944","14.428","0.0003","14.428","0.0003","18.3832","0.0009","90","","90","","90","","3826.8","0.2","350","","350","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.25","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0598","0.038","","","0.0843","0.0916","","","","","","1.112","","","","has coordinates","301529","2025-08-05","21:13:29",""
"1574945","14.3963","0.0003","14.3963","0.0003","18.2533","0.0007","90","","90","","90","","3783.06","0.18","250","","250","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.5","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0546","0.045","","","0.1069","0.1106","","","","","","1.178","","","","has coordinates,has disorder","301529","2025-08-05","21:13:29",""
"1574946","14.3992","0.0003","14.3992","0.0003","18.2847","0.0007","90","","90","","90","","3791.09","0.18","270","","270","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C38 H26 Mn2 N10 O4 Re -","- C38 H26 Mn2 N10 O4 Re -","- C152 H104 Mn8 N40 O16 Re4 -","4","0.5","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0538","0.0422","","","0.0967","0.1008","","","","","","1.183","","","","has coordinates,has disorder","301529","2025-08-05","21:13:29",""
"1574947","14.3878","0.0003","14.3878","0.0003","18.169","0.0006","90","","90","","90","","3761.14","0.17","200","","200","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.5","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0606","0.054","","","0.1406","0.1439","","","","","","1.124","","","","has coordinates,has disorder","301529","2025-08-05","21:13:29",""
"1574948","8.718","0.0004","18.4723","0.0008","16.8326","0.0006","90","","91.306","0.002","90","","2710","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 Cl3 F6 N P2 Ru -","- C21 H32 Cl3 F6 N P2 Ru -","- C84 H128 Cl12 F24 N4 P8 Ru4 -","4","1","","Melnikov, Stanislav; Hwang, Donghun; Gabbert, Philip; Park, Bohyun; Lutz, Martin; Baik, Mu-Hyun; Broere, Daniël L J","Ruthenium-mediated nucleophilic aromatic substitution of hydrogen in benzene.","Chemical science","2025","16","29","13422","13434","10.1039/d5sc02090e","","","0.71073","MoKα","","0.0326","0.0238","","","0.0552","0.0568","","","","","","1.096","","","","has coordinates,has disorder","301525","2025-08-05","21:11:46",""
"1574949","17.0703","0.0003","22.3344","0.0005","16.3747","0.0004","90","","98.02","0.001","90","","6181.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Cl2 N2 P2 Ru -","- C28 H48 Cl2 N2 P2 Ru -","- C224 H384 Cl16 N16 P16 Ru8 -","8","2","","Melnikov, Stanislav; Hwang, Donghun; Gabbert, Philip; Park, Bohyun; Lutz, Martin; Baik, Mu-Hyun; Broere, Daniël L J","Ruthenium-mediated nucleophilic aromatic substitution of hydrogen in benzene.","Chemical science","2025","16","29","13422","13434","10.1039/d5sc02090e","","","0.71073","MoKα","","0.0317","0.023","","","0.0542","0.0566","","","","","","1.035","","","","has coordinates","301525","2025-08-05","21:11:48",""
"1574950","13.9298","0.0004","16.2626","0.0004","13.8275","0.0004","90","","112.534","0.002","90","","2893.26","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 N2 P Ru Si2 -","- C26 H47 N2 P Ru Si2 -","- C104 H188 N8 P4 Ru4 Si8 -","4","1","","Melnikov, Stanislav; Hwang, Donghun; Gabbert, Philip; Park, Bohyun; Lutz, Martin; Baik, Mu-Hyun; Broere, Daniël L J","Ruthenium-mediated nucleophilic aromatic substitution of hydrogen in benzene.","Chemical science","2025","16","29","13422","13434","10.1039/d5sc02090e","","","0.71073","MoKα","","0.0217","0.02","","","0.0507","0.0516","","","","","","1.045","","","","has coordinates","301525","2025-08-05","21:11:48",""
"1574951","15.6389","0.0004","13.6916","0.0005","23.9526","0.0009","90","","90","","90","","5128.8","0.3","153","","153","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C79 H44 N9 O P -","- C79 H44 N9 O P -","- C316 H176 N36 O4 P4 -","4","0.5","","Röthel, Maike B; Franzen, Jonas H.; Leitner, Daniel; Hofer, Thomas S.; Seidl, Michael; Dielmann, Fabian","Phosphonium fullerides: isolable zwitterionic adducts of a phosphine with C<sub>60</sub>.","Chemical science","2025","16","29","13189","13195","10.1039/d5sc00367a","","","0.71073","MoKα","","0.0725","0.0553","","","0.153","0.1673","","","","","","1.034","","","","has coordinates,has disorder","301527","2025-08-05","21:12:44",""
"1574952","15.4946","0.0005","24.9495","0.0006","18.6668","0.0007","90","","113.048","0.004","90","","6640.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H65 Cd3 N10 O17 -","- C60 H65 Cd3 N10 O17 -","- C240 H260 Cd12 N40 O68 -","4","1","","Pei, Li; Zhang, Jieming; Ding, Wenqin; Wang, Jian; Huang, Fangmin; Liu, Yanhong; Liu, Ziran; Gao, Yafei; Wu, Pengyan","Recyclable luminescent metal-organic frameworks with self-formed diketone-like sites for cascade ratiometric detection.","Nanoscale","2025","17","29","17324","17333","10.1039/d5nr01962a","","","0.71073","MoKα","","0.0554","0.0358","","","0.0902","0.092","","","","","","1.082","","","","has coordinates","301612","2025-08-05","22:15:57",""
"1574953","15.9306","0.0002","6.8372","0.0001","22.9367","0.0003","90","","94.722","0.001","90","","2489.8","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MNIMP","methoxynitrobenzene-salicylaldehyde Schiff base","","- C28 H24 N4 O8 -","- C28 H24 N4 O8 -","- C112 H96 N16 O32 -","4","1","","Liu, Zihan; Zhao, Xinyi; Duan, Yuai; Li, Yaping; Wang, Zhijia; Wang, Zixuan; Zhang, Jiarong; Yuan, Jing; Geng, Hua; Han, Tianyu","An intelligent tactile imaging-recognition sensor system enabled <i>via</i> a methoxynitrobenzene-salicylaldehyde fluorescent material.","Materials horizons","2025","12","19","8095","8109","10.1039/d5mh00731c","","","1.54184","CuKα","","0.0384","0.0363","","","0.1021","0.104","","","","","","1.042","","","","has coordinates","302798","2025-10-06","10:43:18",""
"1574954","7.2027","0.0003","22.1157","0.001","7.5534","0.0003","90","","105.517","0.003","90","","1159.35","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>rac</i>-4,5-<i>trans</i>-Dibromo-9,9-dichloro-<i>cis</i>-bicyclo[6.1.0]nonane","<i>rac</i>-4,5-<i>trans</i>-Dibromo-9,9-dichloro-<i>cis</i>-bicyclo[6.1.0]nonane","","- C9 H12 Br2 Cl2 -","- C9 H12 Br2 Cl2 -","- C36 H48 Br8 Cl8 -","4","1","BT4172","Detert, Heiner; Schollmeyer, Dieter","rac-4,5-trans-Dibromo-9,9-dichloro-cis-bicyclo[6.1.0]nonane","IUCrData","2025","10","6","x250573","","10.1107/S2414314625005735","","","0.71073","MoKα","","0.0472","0.0404","","","0.0959","0.1001","","","","","","1.185","","","","has coordinates,has disorder","300370","2025-07-05","10:15:25",""
"1574955","7.9541","0.0003","12.5763","0.0005","20.3351","0.0006","90","","90","","90","","2034.18","0.13","300","2","300.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[2-(4-Hydroxy-1<i>H</i>-indol-3-yl)ethyl]bis(propan-2-yl)azanium (2<i>E</i>)-3-carboxyprop-2-enoate","","- C20 H28 N2 O5 -","- C20 H28 N2 O5 -","- C80 H112 N8 O20 -","4","1","HB4526","Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","4-Hydroxy-N,N-diisopropyltryptammonium hydrofumarate","IUCrData","2025","10","6","x250564","","10.1107/S2414314625005644","","","0.71073","MoKα","","0.0453","0.0391","","","0.0906","0.0945","","","","","","1.08","","","","has coordinates,has disorder","300370","2025-07-05","10:15:25",""
"1574956","38.4331","0.0013","5.4083","0.0002","11.0637","0.0003","90","","93.566","0.003","90","","2295.22","0.13","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Diaquabis(<i>DL</i>-α-lipoato-κ^2^<i>O</i>,<i>O</i>')manganese(II)","Diaquabis[5-(1,2-dithiolan-3-yl)pentanoato-κ^2^<i>O</i>,<i>O</i>']manganese(II)","","- C16 H30 Mn O6 S4 -","- C16 H30 Mn O6 S4 -","- C64 H120 Mn4 O24 S16 -","4","0.5","BH4096","Jumabaev, Farkhod Raxmatovich; Sharipov, Avez Tuymuradovich; Mannopova, Vazirakhon Khasanxoja kizi; Choriyev, Odil Irgashevich; Ashurov, Jamshid Mengnorovich","Diaquabis(DL-α-lipoato-κ2 O,O′)manganese(II)","IUCrData","2025","10","6","x250565","","10.1107/S2414314625005656","","x-ray","1.54184","CuKα","","0.063","0.0513","","","0.1426","0.1535","","","","","","1.045","","","","has coordinates,has disorder","300370","2025-07-05","10:15:25",""
"1574957","17.3191","0.0004","12.6547","0.0002","20.5387","0.0004","90","","103.772","0.002","90","","4372.01","0.15","295","1","295","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2-Methylimidazolium tetrakis(2-thenoyltrifluoroacetonato-κ^2^<i>O</i>,<i>O</i>')neodymium(III)","2-Methylimidazolium tetrakis(2-thenoyltrifluoroacetonato-κ^2^<i>O</i>,<i>O</i>')neodymium(III)","","- C36 H23 F12 N2 Nd O8 S4 -","- C36 H23 F12 N2 Nd O8 S4 -","- C144 H92 F48 N8 Nd4 O32 S16 -","4","0.5","WM4231","Bravo-Arredondo, José Manuel; Bernès, Sylvain; Mejía, Karen; Anzaldo, Bertin; Ramírez, Erick; Moro, David","2-Methylimidazolium tetrakis(2-thenoyltrifluoroacetonato-κ2 O,O′)neodymium(III)","IUCrData","2025","10","6","x250569","","10.1107/S2414314625005693","","x-ray","0.56083","AgKα","","0.052","0.0402","","","0.1036","0.1126","","","","","","1.06","","","","has coordinates,has disorder","300370","2025-07-05","10:15:25",""
"1574958","10.4696","0.0007","10.7334","0.0007","19.3518","0.0013","91.039","0.002","104.121","0.002","105.729","0.002","2021.7","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H130 Al2 N6 P2 Si2 -","- C75 H130 Al2 N6 P2 Si2 -","- C75 H130 Al2 N6 P2 Si2 -","1","0.5","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","","0.71073","MoKα","","0.0877","0.0572","","","0.1532","0.1758","","","","","","1.021","","","","has coordinates,has disorder","302511","2025-10-06","07:44:58",""
"1574959","24.8337","0.0012","10.5705","0.0005","25.3214","0.0012","90","","109.228","0.002","90","","6276.2","0.5","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H99 Al Cl Cu N5 P Si -","- C62 H99 Al Cl Cu N5 P Si -","- C248 H396 Al4 Cl4 Cu4 N20 P4 Si4 -","4","1","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","x-ray","0.71073","MoKα","","0.092","0.0606","","","0.1494","0.1714","","","","","","1.046","","","","has coordinates,has disorder","302511","2025-10-06","07:44:58",""
"1574960","13.896","0.0014","17.3957","0.0016","19.5978","0.0017","90","","104.351","0.003","90","","4589.6","0.7","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H79 Al N5 P Si -","- C46 H79 Al N5 P Si -","- C184 H316 Al4 N20 P4 Si4 -","4","1","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","","0.71073","MoKα","","0.23","0.1028","","","0.2089","0.2851","","","","","","1.035","","","","has coordinates,has disorder","302511","2025-10-06","07:44:58",""
"1574961","12.659","0.001","17.5105","0.0012","20.6407","0.0015","90","","90.19","0.003","90","","4575.3","0.6","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H79 Al N5 P Si -","- C46 H79 Al N5 P Si -","- C184 H316 Al4 N20 P4 Si4 -","4","1","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","","0.71073","MoKα","","0.0799","0.0458","","","0.1026","0.1197","","","","","","1.026","","","","has coordinates","302511","2025-10-06","07:44:58",""
"1574962","12.0584","0.0009","13.9968","0.0009","18.0629","0.0013","90.561","0.002","92.765","0.002","98.516","0.002","3011.1","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H101 Al N5 O P Si -","- C62 H101 Al N5 O P Si -","- C124 H202 Al2 N10 O2 P2 Si2 -","2","1","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","x-ray","0.71073","MoKα","","0.1175","0.0661","","","0.1736","0.2024","","","","","","1.047","","","","has coordinates,has disorder","302511","2025-10-06","07:44:58",""
"1574963","15.9863","0.0009","17.6296","0.001","18.6567","0.0011","90","","95.958","0.002","90","","5229.7","0.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H87 Al N5 P Si -","- C50 H87 Al N5 P Si -","- C200 H348 Al4 N20 P4 Si4 -","4","1","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","","0.71073","MoKα","","0.0922","0.0533","","","0.1247","0.1462","","","","","","1.012","","","","has coordinates","302511","2025-10-06","07:44:58",""
"1574964","12.1189","0.0012","21.9059","0.0016","18.1582","0.0017","90","","100.85","0.004","90","","4734.4","0.7","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H79 Al N5 P Si -","- C46 H79 Al N5 P Si -","- C184 H316 Al4 N20 P4 Si4 -","4","1","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","","0.71073","MoKα","","0.0505","0.0361","","","0.0916","0.1013","","","","","","1.012","","","","has coordinates","302511","2025-10-06","07:44:58",""
"1574965","16.06","0.003","9.6579","0.0015","22.092","0.004","90","","91.67","0.005","90","","3425.1","1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H104 Cu2 N6 Se2 Si6 -","- C60 H104 Cu2 N6 Se2 Si6 -","- C120 H208 Cu4 N12 Se4 Si12 -","2","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0386","0.0285","","","0.0624","0.0671","","","","","","1.068","","","","has coordinates","302489","2025-10-06","07:36:57",""
"1574966","10.836","0.003","11.503","0.003","11.911","0.003","100.995","0.007","101.007","0.008","99.443","0.007","1399.3","0.6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H86 Cu2 N4 O2 Si2 -","- C56 H86 Cu2 N4 O2 Si2 -","- C56 H86 Cu2 N4 O2 Si2 -","1","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.1287","0.0868","","","0.2066","0.2342","","","","","","1.03","","","","has coordinates","302489","2025-10-06","07:36:58",""
"1574967","10.839","0.002","18.764","0.004","17.165","0.004","90","","91.861","0.007","90","","3489.2","1.3","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H94 B2 Cu2 N6 O4 Si6 -","- C54 H90 B2 Cu2 N6 O4 Si6 -","- C108 H180 B4 Cu4 N12 O8 Si12 -","2","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.2414","0.1016","","","0.1711","0.2244","","","","","","0.997","","","","has coordinates,has disorder","302489","2025-10-06","07:36:58",""
"1574968","10.4355","0.001","27.531","0.003","13.1929","0.0011","90","","103.102","0.002","90","","3691.6","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H102 Ag2 N6 P2 Si6 -","- C66 H102 Ag2 N6 P2 Si6 -","- C132 H204 Ag4 N12 P4 Si12 -","2","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0676","0.0616","","","0.1714","0.1752","","","","","","1.452","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574969","9.8038","0.0008","25.541","0.0017","14.7234","0.0011","90","","98.888","0.002","90","","3642.5","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H104 Ag2 N6 Se2 Si6 -","- C60 H104 Ag2 N6 Se2 Si6 -","- C120 H208 Ag4 N12 Se4 Si12 -","2","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.1493","0.063","","","0.1182","0.1451","","","","","","1.043","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574970","10.0668","0.0017","12.265","0.002","19.889","0.004","78.55","0.005","77.056","0.005","65.83","0.004","2167.7","0.7","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H63 Ag2 N3 Si3 -","- C39 H63 Ag2 N3 Si3 -","- C78 H126 Ag4 N6 Si6 -","2","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0457","0.0329","","","0.0738","0.0847","","","","","","1.152","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574971","8.7311","0.0017","16.101","0.003","24.398","0.004","90","","96.891","0.006","90","","3405.1","1.1","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 Cu N3 Si3 -","- C30 H52 Cu N3 Si3 -","- C120 H208 Cu4 N12 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0623","0.0424","","","0.0811","0.0885","","","","","","1.056","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574972","23.369","0.004","11.3535","0.0019","4.5612","0.0007","90","","90","","90","","1210.2","0.3","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H15 B O2 -","- C15 H15 B O2 -","- C60 H60 B4 O8 -","4","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.056","0.0439","","","0.0975","0.1028","","","","","","1.101","","","","has coordinates,has disorder","302489","2025-10-06","07:36:59",""
"1574973","21.7756","0.001","9.2187","0.0005","22.1281","0.0012","90","","102.979","0.002","90","","4328.6","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Cu N3 Si3 -","- C40 H64 Cu N3 Si3 -","- C160 H256 Cu4 N12 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0887","0.0537","","","0.1138","0.1332","","","","","","1.15","","","","has coordinates,has disorder","302489","2025-10-06","07:36:59",""
"1574974","17.1666","0.0019","13.51","0.0015","22.268","0.003","90","","102.071","0.003","90","","5050.2","1","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C46 H76 Cu N5 Si3 -","- C46 H76 Cu N5 Si3 -","- C184 H304 Cu4 N20 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0598","0.0408","","","0.0846","0.0917","","","","","","1.03","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574975","9.4686","0.0017","21.957","0.005","19.381","0.004","90","","99.17","0.005","90","","3977.9","1.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H60 Cu N3 Si2 -","- C39 H60 Cu N3 Si2 -","- C156 H240 Cu4 N12 Si8 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.1151","0.0607","","","0.0948","0.111","","","","","","1.061","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574976","10.4856","0.0016","26.848","0.005","13.129","0.002","90","","102.797","0.005","90","","3604.2","1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H51 Cu N3 P Si3 -","- C33 H51 Cu N3 P Si3 -","- C132 H204 Cu4 N12 P4 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0611","0.0483","","","0.113","0.1213","","","","","","1.178","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574977","12.089","0.007","12.897","0.008","13.78","0.008","85.671","0.014","71.467","0.015","66.64","0.015","1866.9","1.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H58 Cu N3 Si3 -","- C33 H58 Cu N3 Si3 -","- C66 H116 Cu2 N6 Si6 -","2","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.1225","0.0564","","","0.1163","0.1515","","","","","","0.983","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574978","25.182","0.008","13.756","0.004","20.876","0.007","90","","90","","90","","7232","4","150","","150","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C65 H100 Cu2 N6 Si6 -","- C65 H100 Cu2 N6 Si6 -","- C260 H400 Cu8 N24 Si24 -","4","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0418","0.0379","","","0.0995","0.1046","","","","","","1.046","","","","has coordinates,has disorder","302489","2025-10-06","07:36:59",""
"1574979","15.1058","0.0011","13.7633","0.0008","19.4686","0.0015","90","","106.283","0.002","90","","3885.3","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Ag F10 N4 Si3 -","- C33 H41 Ag F10 N4 Si3 -","- C132 H164 Ag4 F40 N16 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0888","0.0454","","","0.0942","0.112","","","","","","1.019","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574980","10.07","0.004","39.582","0.015","16.882","0.006","90","","102.573","0.007","90","","6568","4","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C127 H196 N12 Si8 -","- C127 H196 N12 Si8 -","- C254 H392 N24 Si16 -","2","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0773","0.0608","","","0.1349","0.1438","","","","","","1.127","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574981","10.1287","0.0009","13.8838","0.0014","17.7827","0.0018","90","","94.649","0.003","90","","2492.5","0.4","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H68 Cl2 Cu2 N4 Si2 -","- C48 H68 Cl2 Cu2 N4 Si2 -","- C96 H136 Cl4 Cu4 N8 Si4 -","2","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0746","0.0572","","","0.1545","0.1691","","","","","","1.041","","","","has coordinates,has disorder","302489","2025-10-06","07:36:59",""
"1574982","12.0478","0.0007","13.1539","0.0008","13.8184","0.0009","86.515","0.002","71.449","0.002","67.362","0.002","1911.4","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H58 Ag N3 Si3 -","- C33 H58 Ag N3 Si3 -","- C66 H116 Ag2 N6 Si6 -","2","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0378","0.0335","","","0.086","0.0932","","","","","","1.156","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574983","9.365","0.005","20.278","0.011","21.736","0.012","90","","97.745","0.007","90","","4090","4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 Ag N3 Si3 -","- C36 H64 Ag N3 Si3 -","- C144 H256 Ag4 N12 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0547","0.039","","","0.0834","0.0899","","","","","","1.066","","","","has coordinates,has disorder","302489","2025-10-06","07:36:59",""
"1574984","17.82","0.003","11.6656","0.0017","31.588","0.005","90","","97.787","0.004","90","","6506","1.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H36 Cu N3 Se Si3 -","- C31 H36 Cu N3 Se Si3 -","- C248 H288 Cu8 N24 Se8 Si24 -","8","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.172","0.103","","","0.2301","0.2767","","","","","","1.03","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574985","11.5755","0.0012","14.9774","0.0016","22.191","0.002","90","","90.984","0.003","90","","3846.7","0.7","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H56 Cu N5 Si3 -","- C35 H56 Cu N5 Si3 -","- C140 H224 Cu4 N20 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0966","0.0584","","","0.1055","0.1177","","","","","","1.067","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574986","12.8772","0.0011","13.0612","0.0011","14.7699","0.0013","70.646","0.003","75.242","0.003","60.717","0.002","2031.3","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H55 Cu N4 Si3 -","- C34 H55 Cu N4 Si3 -","- C68 H110 Cu2 N8 Si6 -","2","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0554","0.0376","","","0.0868","0.0945","","","","","","1.025","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574987","14.938","0.003","13.376","0.002","19.384","0.004","90","","105.935","0.005","90","","3724.3","1.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Cu F10 N4 Si3 -","- C33 H41 Cu F10 N4 Si3 -","- C132 H164 Cu4 F40 N16 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.114","0.0606","","","0.0933","0.1091","","","","","","1.043","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574988","8.9008","0.0019","40.36","0.008","19.289","0.004","90","","101.101","0.005","90","","6800","2","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28.5 H49 Cu N4 Si3 -","- C25 H45 Cu N4 Si3 -","- C200 H360 Cu8 N32 Si24 -","8","2","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.1529","0.1018","","","0.1835","0.2047","","","","","","1.0676","","","","has coordinates,has disorder","302489","2025-10-06","07:36:59",""
"1574989","8.7713","0.0001","9.3831","0.0001","10.1855","0.0001","84.231","0.001","69.773","0.001","75.245","0.001","760.579","0.015","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H17 B N2 O S Si -","- C14 H17 B N2 O S Si -","- C28 H34 B2 N4 O2 S2 Si2 -","2","1","","Wüst, Leonie; Chorbacher, Johannes; Keim, Timo; Wellnitz, Tim; Spieß, Julian; Wieprecht, Nele; Michel, Maximilian; Helten, Holger; Braunschweig, Holger","Tuning the emission properties of luminescent 1,2,3-diazaborinates.","Chemical science","2025","16","33","15086","15096","10.1039/d5sc03814f","","x-ray","1.54184","CuKα","K-L~2,3~","0.031","0.0304","","","0.0868","0.0872","","","","","","1.089","","","","has coordinates","302496","2025-10-06","07:39:14",""
"1574990","11.1933","0.0002","9.5312","0.0002","13.974","0.0003","90","","101.575","0.002","90","","1460.51","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 B N2 S -","- C17 H13 B N2 S -","- C68 H52 B4 N8 S4 -","4","1","","Wüst, Leonie; Chorbacher, Johannes; Keim, Timo; Wellnitz, Tim; Spieß, Julian; Wieprecht, Nele; Michel, Maximilian; Helten, Holger; Braunschweig, Holger","Tuning the emission properties of luminescent 1,2,3-diazaborinates.","Chemical science","2025","16","33","15086","15096","10.1039/d5sc03814f","","x-ray","1.54184","CuKα","K-L~2,3~","0.0519","0.0479","","","0.1298","0.1324","","","","","","1.053","","","","has coordinates","302496","2025-10-06","07:39:15",""
"1574991","7.8893","0.0002","9.6176","0.0002","41.2385","0.0007","90","","90","","90","","3129.02","0.12","99.98","0.1","99.98","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,5R)-2-isopropyl-3,6-dimethoxy-5-(4-methoxyphenyl)-2,5-dihydropyrazine","","- C32 H44 N4 O6 -","- C32 H44 N4 O6 -","- C128 H176 N16 O24 -","4","1","","Sowa Prendes, Daniel; Löffler, Julian; Barreto, Ivan Martins; Sankaran, Nagesh; Remm, Henning; Nascimento de Oliveira, Ronaldo; Gessner, Viktoria H.; Gooßen, Lukas J","Diastereoselective arylation of bis-lactim ethers catalyzed by <i>N</i>-coordinating ylide-functionalized phosphine (NYPhos).","Chemical science","2025","16","31","14152","14160","10.1039/d5sc02814k","","x-ray","1.54184","CuKα","","0.0514","0.0482","","","0.1298","0.1322","","","","","","1.0273","","","","has coordinates","302514","2025-10-06","07:45:57",""
"1574992","14.591","0.0001","17.3926","0.0002","18.466","0.0001","102.698","0.001","97.838","0.001","114.743","0.001","4011.6","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H63 N3 P2 -","- C37 H63 N3 P2 -","- C148 H252 N12 P8 -","4","2","","Sowa Prendes, Daniel; Löffler, Julian; Barreto, Ivan Martins; Sankaran, Nagesh; Remm, Henning; Nascimento de Oliveira, Ronaldo; Gessner, Viktoria H.; Gooßen, Lukas J","Diastereoselective arylation of bis-lactim ethers catalyzed by <i>N</i>-coordinating ylide-functionalized phosphine (NYPhos).","Chemical science","2025","16","31","14152","14160","10.1039/d5sc02814k","","x-ray","1.54184","CuKα","","0.0386","0.0347","","","0.0901","0.0923","","","","","","1.051","","","","has coordinates","302514","2025-10-06","07:45:57",""
"1574993","17.505","0.0001","18.2908","0.0002","20.1417","0.0002","66.305","0.001","68.119","0.001","72.629","0.001","5395.23","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H51 N3 P2 -","- C25 H51 N3 P2 -","- C200 H408 N24 P16 -","8","4","","Sowa Prendes, Daniel; Löffler, Julian; Barreto, Ivan Martins; Sankaran, Nagesh; Remm, Henning; Nascimento de Oliveira, Ronaldo; Gessner, Viktoria H.; Gooßen, Lukas J","Diastereoselective arylation of bis-lactim ethers catalyzed by <i>N</i>-coordinating ylide-functionalized phosphine (NYPhos).","Chemical science","2025","16","31","14152","14160","10.1039/d5sc02814k","","x-ray","1.54184","CuKα","","0.0595","0.054","","","0.1498","0.1562","","","","","","1.041","","","","has coordinates","302514","2025-10-06","07:45:57",""
"1574994","28.9107","0.0009","14.6104","0.0006","9.1891","0.0003","90","","90","","90","","3881.4","0.2","294","2","294","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19 H18 Cl2 N2 O2 S -","- C19 H18 Cl2 N2 O2 S -","- C152 H144 Cl16 N16 O16 S8 -","8","1","","Vijay, Ragupathi; Yogesh, Dasari; Shanmugam, Ramasamy; Lingaiah, Nakka; Ponpandian, Thanasekaran; Gunasekar, Gunniya Hariyanandam","A metal-free porous organic polymer-based heterogeneous catalyst for the borrowing hydrogen-mediated N-alkylation of sulfonamides with alcohols","Catalysis Science & Technology","2025","15","16","4684","4691","10.1039/D5CY00562K","","","0.71073","MoKα","","0.0774","0.0441","","","0.1087","0.1269","","","","","","1.017","","","","has coordinates,has disorder","302393","2025-10-06","06:32:41",""
"1574995","22.468","0.005","10.54","0.002","20.861","0.004","90","","91.8","0.03","90","","4937.7","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C104 H130 Cu2 O27 -","- C104 H130 Cu2 O27 -","- C208 H260 Cu4 O54 -","2","0.5","","Jia, Xiao-Ran; Gao, Zi-Xuan; Fei, Hai-Ming; Lan, Li-Juan; Yu, Cai-Xia; Qian, Yong; Liu, Lei-Lei","Highly efficient and selective Sr<sup>2+</sup> capture using robust two-dimensional MOF nanosheets decorated with cage-like cavities.","Chemical science","2025","16","31","14231","14241","10.1039/d5sc02612a","","","0.71073","MoKα","","0.0438","0.0354","","","0.0958","0.1014","","","","","","1.043","","","","has coordinates","302515","2025-10-06","07:46:07",""
"1574996","5.6865","0.0002","8.1059","0.0003","10.908","0.0004","98.438","0.002","101.431","0.002","101.186","0.002","474.41","0.03","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H22 Cl2 N2 Ni O4 S2 -","- C14 H22 Cl2 N2 Ni O4 S2 -","- C14 H22 Cl2 N2 Ni O4 S2 -","1","0.5","","Kong, Xianqiang; Chen, Yiyi; Zhang, Shuangquan; Feng, Kun; Chen, Xiaohui; Dong, Lin-Hui; Li, Meng-Hua; Xu, Yuan-Qing; Cao, Zhong-Yan","Electrochemically promoted defluorinative sulfoximination and fluorosulfonylation of non-activated aryl fluorides at room temperature.","Chemical science","2025","16","31","14161","14169","10.1039/d5sc03674g","","x-ray","0.71073","MoKα","","0.0267","0.0237","","","0.056","0.0574","","","","","","1.109","","","","has coordinates","302516","2025-10-06","07:46:15",""
"1574997","14.018","0.003","17.554","0.003","7.8113","0.0015","90","","104.941","0.005","90","","1857.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Vinod, Kavya; Thomas, Diana; Hariharan, Mahesh","Structural disorder as a key to photoprotection in eumelanin multimers.","Chemical science","2025","16","31","14304","14313","10.1039/d5sc00920k","","","0.71073","MoKα","","0.1613","0.0664","","","0.1446","0.1789","","","","","","1.025","","","","has coordinates","302509","2025-10-06","07:44:12",""
"1574998","9.8734","0.0007","20.7159","0.0008","26.4929","0.0003","90","","96.162","0.003","90","","5387.5","0.4","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C115.2 H174.8 N8 O4 U2 -","- C90 H146 N8 O4 U2 -","- C180 H292 N16 O8 U4 -","2","0.5","","Shivaraam, R. A. Keerthi; Maria, Leonor; Rajeshkumar, Thayalan; Scopelliti, Rosario; Živković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Facile N-C bond cleavage and arene reduction by a transient uranium(ii) complex.","Chemical science","2025","16","31","14242","14251","10.1039/d5sc03694a","","x-ray","1.54184","CuKα","","0.0523","0.0412","","","0.1039","0.1092","","","","","","1.05","","","","has coordinates,has disorder","302508","2025-10-06","07:43:59",""
"1574999","11.2069","0.0003","14.7053","0.0005","18.7776","0.0006","84.7","0.003","80.165","0.002","82.473","0.002","3015.04","0.16","199.99","0.1","199.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C57 H104 N4 O6 Si U -","- C57 H104 N4 O6 Si U -","- C114 H208 N8 O12 Si2 U2 -","2","1","","Shivaraam, R. A. Keerthi; Maria, Leonor; Rajeshkumar, Thayalan; Scopelliti, Rosario; Živković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Facile N-C bond cleavage and arene reduction by a transient uranium(ii) complex.","Chemical science","2025","16","31","14242","14251","10.1039/d5sc03694a","","x-ray","1.54184","CuKα","","0.0576","0.0434","","","0.0977","0.1023","","","","","","0.975","","","","has coordinates,has disorder","302508","2025-10-06","07:44:00",""
"1575000","16.1897","0.0004","15.6587","0.0006","19.7929","0.0008","90","","96.971","0.003","90","","4980.6","0.3","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H86 N4 O4 U -","- C42 H70 N4 O2 U -","- C168 H280 N16 O8 U4 -","4","1","","Shivaraam, R. A. Keerthi; Maria, Leonor; Rajeshkumar, Thayalan; Scopelliti, Rosario; Živković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Facile N-C bond cleavage and arene reduction by a transient uranium(ii) complex.","Chemical science","2025","16","31","14242","14251","10.1039/d5sc03694a","","x-ray","1.54184","CuKα","","0.1021","0.0633","","","0.1386","0.1589","","","","","","1.002","","","","has coordinates,has disorder","302508","2025-10-06","07:44:00",""
"1575001","12.587","0.009","20.924","0.014","22.9","0.015","90","","90.935","0.01","90","","6030","7","143","","143","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","C118H138O18(C6H14)2","","","- C130 H166 O18 -","- C130 H166 O18 -","- C260 H332 O36 -","2","0.5","","Ohtani, Shunsuke; Nakagawa, Keigo; Akine, Shigehisa; Kato, Kenichi; Ogoshi, Tomoki","Dimerization of pillar[5]arene: length-adaptive encapsulation of long-chain guests.","Chemical science","2025","16","31","14262","14269","10.1039/d5sc01403d","","","0.71075","MoKα","","0.227","0.12","","","0.231","0.2819","","","","","","1.157","","","","has coordinates,has disorder","302507","2025-10-06","07:43:44",""
"1575002","12.062","0.005","21.595","0.009","23.1024","0.001","95.788","0.007","92.174","0.007","99.902","0.008","5888","3","143.15","","143.15","","","","","","","","","3","P -1","-P 1","2","","","","- C126.89 H168.73 O18 -","- C126.898 H168.735 O18 -","- C253.796 H337.47 O36 -","2","1","","Ohtani, Shunsuke; Nakagawa, Keigo; Akine, Shigehisa; Kato, Kenichi; Ogoshi, Tomoki","Dimerization of pillar[5]arene: length-adaptive encapsulation of long-chain guests.","Chemical science","2025","16","31","14262","14269","10.1039/d5sc01403d","","","0.71075","MoKα","","0.2451","0.1375","","","0.2709","0.339","","","","","","1.125","","","","has coordinates,has disorder","302507","2025-10-06","07:43:45",""
"1575003","10.2331","0.0006","17.097","0.001","12.6421","0.0007","90","","100.465","0.005","90","","2175","0.2","299.99","0.1","299.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Cl2 Mn N4 -","- C24 H16 Cl2 Mn N4 -","- C96 H64 Cl8 Mn4 N16 -","4","1","","Lin, Quan; Lin, Liping; Wang, Jingjing; Yu, Daohong; Chen, Zhengwang; Wang, Zhong-Xia","Manganese-mediated C(sp)-Si cross-electrophile coupling of alkynyl halides with chlorosilanes.","Chemical science","2025","16","31","14216","14224","10.1039/d5sc03449c","","x-ray","1.54184","CuKα","","0.1676","0.1305","","","0.3044","0.3278","","","","","","1.036","","","","has coordinates","302506","2025-10-06","07:43:29",""
"1575004","9.4383","0.0004","15.9847","0.0007","18.7749","0.0008","90","","90","","90","","2832.5","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Cl N5 O Ru -","- C27 H22 Cl N5 O Ru -","- C108 H88 Cl4 N20 O4 Ru4 -","4","1","","Chen, Guo; Ding, Xiao-Lv; He, Piao; Cheng, Tao; Chen, Yang; Lin, Jian; Zhang, Xi; Zhao, Shan; Qiao, Na; Yi, Xiao-Yi","Understanding the factors governing the ammonia oxidation reaction by a mononuclear ruthenium complex","Chemical Science","2025","16","17","7573","7578","10.1039/D4SC02360A","","x-ray","0.71073","MoKα","","0.0886","0.0541","","","0.1343","0.1502","","","","","","0.922","","","","has coordinates","300325","2025-07-04","15:24:19",""
"1575005","9.4605","0.0005","9.5615","0.0004","9.9418","0.0004","116.535","0.004","108.263","0.005","100.865","0.004","704.62","0.08","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C34 H30 N6 O2 -","2","1","","Chen, Guo; Ding, Xiao-Lv; He, Piao; Cheng, Tao; Chen, Yang; Lin, Jian; Zhang, Xi; Zhao, Shan; Qiao, Na; Yi, Xiao-Yi","Understanding the factors governing the ammonia oxidation reaction by a mononuclear ruthenium complex","Chemical Science","2025","16","17","7573","7578","10.1039/D4SC02360A","","x-ray","1.54184","CuKα","","0.077","0.0644","","","0.1808","0.1971","","","","","","1.064","","","","has coordinates","300325","2025-07-04","15:24:20",""
"1575006","11.9831","0.0006","11.9831","0.0006","8.335","0.0004","90","","90","","120","","1036.51","0.09","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","Co MOF","","- C6 H5 Co0.5 N O3 -","- C6 H5 Co0.5 N O3 -","- C36 H30 Co3 N6 O18 -","6","1","","Hussain, Nissar; Mobin, Shaikh M.","Tailored design of an oxygen-rich stable Co-MOF integrated with MXene nanofibers as an advanced heterostructure for high-performance ammonium-ion supercapacitors","Chemical Science","2025","16","19","8460","8469","10.1039/D5SC00171D","","","0.71073","MoKα","","0.0882","0.059","","","0.1274","0.1459","","","","","","1.067","","","","has coordinates","300326","2025-07-04","15:28:53",""
"1575007","26.3081","0.0016","31.481","0.002","32.9947","0.0019","71.067","0.004","86.315","0.004","89.79","0.004","25790","3","173","","173","","","","","","","","","11","P -1","-P 1","2","","","","- C402.5 H396 Au21 Br Cl20 Cu30 F54 N17 P18 S9 Sb9 -","- C402.5 H396 Au21 Br Cl20 Cu30 F54 N17 P18 S9 Sb9 -","- C805 H792 Au42 Br2 Cl40 Cu60 F108 N34 P36 S18 Sb18 -","2","1","","Zhang, Wei; Xu, Tingting; Kong, Jie; Li, Yuanming; Zhou, Xiaoguo; Zhang, Jiachen; Zhang, Qun; Song, Yongbo; Luo, Yi; Zhou, Meng","Intensive near-infrared emitting Au7Cu10 nanoclusters for both energy and electron harvesting","Chemical Science","2025","16","20","8910","8921","10.1039/D5SC00671F","","","1.34139","GaKα","","0.1364","0.0886","","","0.2446","0.2834","","","","","","0.99","","","","has coordinates,has disorder","300327","2025-07-04","15:34:14",""
"1575008","16.014","0.0003","14.2052","0.0002","15.6151","0.0003","90","","106.374","0.002","90","","3408.09","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H70 B4 Cl2 S4 -","- C81 H70 B4 Cl2 S4 -","- C162 H140 B8 Cl4 S8 -","2","0.5","","Narita, Hiroki; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Yamaguchi, Shigehiro","Intramolecular arylsulfide-coordinated diboraanthracenes: effect of B–S coordination on ground-state and excited-state behavior","Chemical Science","2025","16","20","8764","8771","10.1039/D5SC01726B","","","0.71073","MoKα","","0.0441","0.0392","","","0.1064","0.1091","","","","","","1.039","","","","has coordinates,has disorder","300328","2025-07-04","15:35:02",""
"1575009","8.0487","0.0003","11.461","0.0004","13.8943","0.0004","83.718","0.002","78.136","0.003","84.362","0.003","1243","0.07","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H42 B2 Cl2 F6 S2 -","- C63 H42 B2 Cl2 F6 S2 -","- C63 H42 B2 Cl2 F6 S2 -","1","0.5","","Narita, Hiroki; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Yamaguchi, Shigehiro","Intramolecular arylsulfide-coordinated diboraanthracenes: effect of B–S coordination on ground-state and excited-state behavior","Chemical Science","2025","16","20","8764","8771","10.1039/D5SC01726B","","","0.71073","MoKα","","0.0626","0.0457","","","0.1121","0.1196","","","","","","1.068","","","","has coordinates,has disorder","300328","2025-07-04","15:35:04",""
"1575010","28.7061","0.0007","28.7061","0.0007","13.725","0.0012","90","","90","","90","","11310","1.1","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C72 H70 B2 S2 -","- C72 H70 B2 S2 -","- C576 H560 B16 S16 -","8","0.5","","Narita, Hiroki; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Yamaguchi, Shigehiro","Intramolecular arylsulfide-coordinated diboraanthracenes: effect of B–S coordination on ground-state and excited-state behavior","Chemical Science","2025","16","20","8764","8771","10.1039/D5SC01726B","","","0.71073","MoKα","","0.1174","0.0733","","","0.1935","0.2245","","","","","","1.048","","","","has coordinates,has disorder","300328","2025-07-04","15:35:04",""
"1575011","13.4613","0.0004","15.9611","0.0004","18.0475","0.0005","88.617","0.002","74.222","0.002","75.94","0.002","3616.09","0.18","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 B2 F6 S2 -","- C42 H32 B2 F6 S2 -","- C168 H128 B8 F24 S8 -","4","2","","Narita, Hiroki; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Yamaguchi, Shigehiro","Intramolecular arylsulfide-coordinated diboraanthracenes: effect of B–S coordination on ground-state and excited-state behavior","Chemical Science","2025","16","20","8764","8771","10.1039/D5SC01726B","","","0.71073","MoKα","","0.1367","0.0641","","","0.1371","0.1615","","","","","","1.022","","","","has coordinates,has disorder","300328","2025-07-04","15:35:05",""
"1575012","11.443","0.002","11.3282","0.0013","17.464","0.003","90","","102.219","0.004","90","","2212.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 O2 P2 -","- C26 H24 O2 P2 -","- C104 H96 O8 P8 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0576","0.0453","","","0.0992","0.1041","","","","","","1.102","","","","has coordinates","300329","2025-07-04","15:37:03",""
"1575013","11.2956","0.0008","26.7171","0.0018","25.3047","0.0017","90","","100.865","0.002","90","","7499.7","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H74 Cl4 Mn2 O7 P6 -","- C78 H74 Cl4 Mn2 O7 P6 -","- C312 H296 Cl16 Mn8 O28 P24 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0434","0.0423","","","0.0966","0.0971","","","","","","1.131","","","","has coordinates","300329","2025-07-04","15:37:04",""
"1575014","11.2591","0.0005","26.7307","0.0012","25.1411","0.0011","90","","100.52","0.001","90","","7439.4","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C78 H74 Cl4 Mn O7 P6 Zn -","- C78 H74 Cl4 Mn O7 P6 Zn -","- C312 H296 Cl16 Mn4 O28 P24 Zn4 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0461","0.0428","","","0.086","0.087","","","","","","1.14","","","","has coordinates","300329","2025-07-04","15:37:05",""
"1575015","13.0568","0.0005","19.8458","0.0008","29.0464","0.0012","90","","91.42","0.002","90","","7524.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H72 Cl4 Mn2 N2 O6 P6 -","- C79 H72 Cl4 Mn2 N2 O6 P6 -","- C316 H288 Cl16 Mn8 N8 O24 P24 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0857","0.068","","","0.146","0.1533","","","","","","1.146","","","","has coordinates","300329","2025-07-04","15:37:05",""
"1575016","26.4176","0.0014","26.4176","0.0014","20.5907","0.0017","90","","90","","120","","12444.8","1.4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C52 H48 Cl4 O5 P4 Zn2 -","- C52 H48 Cl4 O5 P4 Zn2 -","- C468 H432 Cl36 O45 P36 Zn18 -","9","0.5","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0869","0.0757","","","0.1634","0.1681","","","","","","1.22","","","","has coordinates","300329","2025-07-04","15:37:05",""
"1575017","11.4017","0.0007","27.3917","0.0017","25.2074","0.0016","90","","99.877","0.002","90","","7755.9","0.8","330","2","330","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H72 Cl4 Mn2 O6 P6 -","- C78 H72 Cl4 Mn2 O6 P6 -","- C312 H288 Cl16 Mn8 O24 P24 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0465","0.0435","","","0.1099","0.1116","","","","","","1.057","","","","has coordinates","300329","2025-07-04","15:37:05",""
"1575018","11.3912","0.0007","27.2867","0.0017","25.2528","0.0016","90","","100.008","0.002","90","","7729.8","0.8","300","2","300","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H72 Cl4 Mn2 O6 P6 -","- C78 H72 Cl4 Mn2 O6 P6 -","- C312 H288 Cl16 Mn8 O24 P24 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0464","0.044","","","0.1126","0.1139","","","","","","1.055","","","","has coordinates","300329","2025-07-04","15:37:06",""
"1575019","11.3782","0.0007","27.137","0.0015","25.3156","0.0014","90","","100.19","0.002","90","","7693.4","0.8","270","2","270","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H74 Cl4 Mn2 O7 P6 -","- C78 H74 Cl4 Mn2 O7 P6 -","- C312 H296 Cl16 Mn8 O28 P24 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0454","0.0434","","","0.1097","0.1108","","","","","","1.074","","","","has coordinates","300329","2025-07-04","15:37:06",""
"1575020","11.2747","0.0007","26.9136","0.0019","25.1091","0.0017","90","","100.442","0.002","90","","7493","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H72 Cl4 Mn2 O6 P6 -","- C78 H72 Cl4 Mn2 O6 P6 -","- C312 H288 Cl16 Mn8 O24 P24 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.039","0.0357","","","0.0882","0.0907","","","","","","1.019","","","","has coordinates","300329","2025-07-04","15:37:06",""
"1575021","7.7941","0.0001","15.0015","0.0002","18.7462","0.0001","95.028","0.001","94.368","0.001","92.216","0.001","2174.82","0.04","100","0.2","100","0.2","","","","","","","","5","P 1","P 1","1","","","","- C27 H20 F N O6 -","- C27 H20 F N O6 -","- C108 H80 F4 N4 O24 -","4","4","","Ren, Panlong; Zhao, Qing; Chi, Yonggui Robin; Zhu, Tingshun","Carbene-catalyzed enantioselective construction of a quasi-symmetrical spirocyclic hydroquinone with a minor chiral distinction","Chemical Science","2025","16","20","8940","8945","10.1039/D5SC01605C","","x-ray","1.54184","CuKα","","0.0506","0.0467","","","0.1301","0.1335","","","","","","1.06","","","","has coordinates","300330","2025-07-04","15:38:12",""
"1575022","13.2767","0.0001","7.8477","0.0001","19.7078","0.0002","90","","109.306","0.001","90","","1937.92","0.04","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H38 Cl2 O10 -","- C48 H38 Cl2 O10 -","- C96 H76 Cl4 O20 -","2","1","","Ren, Panlong; Zhao, Qing; Chi, Yonggui Robin; Zhu, Tingshun","Carbene-catalyzed enantioselective construction of a quasi-symmetrical spirocyclic hydroquinone with a minor chiral distinction","Chemical Science","2025","16","20","8940","8945","10.1039/D5SC01605C","","x-ray","1.54184","CuKα","","0.031","0.0297","","","0.0814","0.0819","","","","","","1.095","","","","has coordinates","300330","2025-07-04","15:38:16",""
"1575023","13.3142","0.0002","7.8396","0.0001","19.8412","0.0003","90","","108.449","0.002","90","","1964.55","0.05","100","0.4","100","0.4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H38 Br2 O10 -","- C48 H38 Br2 O10 -","- C96 H76 Br4 O20 -","2","1","","Ren, Panlong; Zhao, Qing; Chi, Yonggui Robin; Zhu, Tingshun","Carbene-catalyzed enantioselective construction of a quasi-symmetrical spirocyclic hydroquinone with a minor chiral distinction","Chemical Science","2025","16","20","8940","8945","10.1039/D5SC01605C","","x-ray","1.54184","CuKα","","0.0362","0.0356","","","0.0943","0.0947","","","","","","1.028","","","","has coordinates","300330","2025-07-04","15:38:17",""
"1575024","10.0323","0.0004","14.0039","0.0005","10.9141","0.0004","90","","116.185","0.002","90","","1375.98","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 B N3 O2 S -","- C12 H18 B N3 O2 S -","- C48 H72 B4 N12 O8 S4 -","4","1","","Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S.","Catalytic insertion of nitrenes into B–H bonds","Chemical Science","2025","16","15","6298","6306","10.1039/D5SC00723B","","x-ray","0.71073","MoKα","","0.0513","0.0435","","","0.1141","0.1204","","","","","","1.071","","","","has coordinates","300331","2025-07-04","15:41:19",""
"1575025","7.0532","0.0008","13.9162","0.0015","14.4394","0.0016","80.019","0.004","81.48","0.004","81.506","0.004","1369.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 B11 N2 O5 S -","- C22 H29 B11 N2 O5 S -","- C44 H58 B22 N4 O10 S2 -","2","1","","Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S.","Catalytic insertion of nitrenes into B–H bonds","Chemical Science","2025","16","15","6298","6306","10.1039/D5SC00723B","","x-ray","0.71073","MoKα","","0.1006","0.0762","","","0.1809","0.1995","","","","","","0.999","","","","has coordinates","300331","2025-07-04","15:41:20",""
"1575026","7.948","0.002","8.047","0.002","16.16","0.004","92.793","0.009","100.437","0.008","107.826","0.009","961.6","0.4","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C18 H11 B Br F5 N2 O3 S -","- C18 H11 B Br F5 N2 O3 S -","- C36 H22 B2 Br2 F10 N4 O6 S2 -","2","2","","Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S.","Catalytic insertion of nitrenes into B–H bonds","Chemical Science","2025","16","15","6298","6306","10.1039/D5SC00723B","","x-ray","0.71073","MoKα","","0.1492","0.0872","","","0.1628","0.2037","","","","","","1.017","","","","has coordinates,has disorder","300331","2025-07-04","15:41:21",""
"1575027","15.601","0.0013","8.9989","0.0011","15.8836","0.0016","90","","107.422","0.003","90","","2127.6","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 B N4 O4 S2 -","- C19 H25 B N4 O4 S2 -","- C76 H100 B4 N16 O16 S8 -","4","1","","Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S.","Catalytic insertion of nitrenes into B–H bonds","Chemical Science","2025","16","15","6298","6306","10.1039/D5SC00723B","","x-ray","0.71073","MoKα","","0.0854","0.0519","","","0.1095","0.1251","","","","","","1.041","","","","has coordinates","300331","2025-07-04","15:41:21",""
"1575028","15.0095","0.0009","15.3676","0.0009","17.4816","0.001","78.015","0.002","77.183","0.002","81.734","0.002","3825.9","0.4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C18.86 H18.72 B Cl1.72 N2 O2 S -","- C18.8575 H18.715 B Cl1.715 N2 O2 S -","- C150.86 H149.72 B8 Cl13.72 N16 O16 S8 -","8","4","","Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S.","Catalytic insertion of nitrenes into B–H bonds","Chemical Science","2025","16","15","6298","6306","10.1039/D5SC00723B","","x-ray","0.71073","MoKα","","0.1142","0.0643","","","0.1695","0.2074","","","","","","0.988","","","","has coordinates,has disorder","300331","2025-07-04","15:41:21",""
"1575029","21.67271","0.00016","21.67271","0.00016","10.76754","0.0001","90","","90","","120","","4379.99","0.06","173","","173","","","","","","","","","7","R 3 :H","R 3","146","","(R,Z)-4-((3-(4-cyanophenyl)-4-oxo-6-(trifluoromethyl)-1,3-thiazinan-2-ylidene)amino)benzonitrile chloroform solvate","","- C19.33 H11.33 Cl F3 N4 O S -","- C19.3333 H11.3333 Cl F3 N4 O S -","- C174 H102 Cl9 F27 N36 O9 S9 -","9","1","","Nimmo, Alastair J.; Goodfellow, Alister S.; Guntley, Jacob T.; McKay, Aidan P.; Cordes, David B.; Bühl, Michael; Smith, Andrew D.","Isothiourea catalysed enantioselective generation of point and axially chiral iminothia- and iminoselenazinanones","Chemical Science","2025","16","23","10494","10502","10.1039/D5SC02435H","","x-ray","1.54184","CuKα","","0.0216","0.0215","","","0.056","0.056","","","","","","1.058","","","","has coordinates","300332","2025-07-04","15:45:57",""
"1575030","8.07483","0.00006","15.56758","0.00015","17.59729","0.00015","90","","90","","90","","2212.08","0.03","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R,Z)-N-(3-(2-isopropylphenyl)-4-oxo-6-(trifluoromethyl)-1,3-thiazinan-2-ylidene)-4-methylbenzenesulfonamide","","- C21 H21 F3 N2 O3 S2 -","- C21 H21 F3 N2 O3 S2 -","- C84 H84 F12 N8 O12 S8 -","4","1","","Nimmo, Alastair J.; Goodfellow, Alister S.; Guntley, Jacob T.; McKay, Aidan P.; Cordes, David B.; Bühl, Michael; Smith, Andrew D.","Isothiourea catalysed enantioselective generation of point and axially chiral iminothia- and iminoselenazinanones","Chemical Science","2025","16","23","10494","10502","10.1039/D5SC02435H","","x-ray","1.54184","CuKα","","0.0394","0.0386","","","0.1028","0.1033","","","","","","1.043","","","","has coordinates","300332","2025-07-04","15:46:08",""
"1575031","9.51115","0.00005","16.17558","0.00009","10.71507","0.00005","90","","91.4505","0.0005","90","","1647.97","0.015","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","(R,Z)-N-(4-oxo-3-phenyl-6-(trifluoromethyl)-1,3-selenazinan-2-ylidene)benzamide","","- C18 H13 F3 N2 O2 Se -","- C18 H13 F3 N2 O2 Se -","- C72 H52 F12 N8 O8 Se4 -","4","2","","Nimmo, Alastair J.; Goodfellow, Alister S.; Guntley, Jacob T.; McKay, Aidan P.; Cordes, David B.; Bühl, Michael; Smith, Andrew D.","Isothiourea catalysed enantioselective generation of point and axially chiral iminothia- and iminoselenazinanones","Chemical Science","2025","16","23","10494","10502","10.1039/D5SC02435H","","x-ray","1.54184","CuKα","","0.0285","0.028","","","0.0752","0.0755","","","","","","1.07","","","","has coordinates","300332","2025-07-04","15:46:10",""
"1575032","11.2146","0.0003","14.2724","0.0004","13.2961","0.0004","90","","105.298","0.0012","90","","2052.76","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 B2 N -","- C25 H37 B2 N -","- C100 H148 B8 N4 -","4","1","","Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.","Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane","Chemical Science","2025","16","21","9255","9263","10.1039/D5SC02085A","","","0.71073","MoKα","","0.0403","0.0248","","","0.0397","0.045","","","","","","1.1054","","","","has coordinates","300333","2025-07-04","15:50:57",""
"1575033","6.5122","0.0002","9.5179","0.0005","10.1405","0.0007","116.147","0.006","98.075","0.004","99.496","0.003","540.11","0.06","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 B2 S2 -","- C24 H32 B2 S2 -","- C24 H32 B2 S2 -","1","0.5","","Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.","Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane","Chemical Science","2025","16","21","9255","9263","10.1039/D5SC02085A","","x-ray","1.54184","CuKα","","0.0509","0.0455","","","0.13","0.133","","","","","","1.065","","","","has coordinates","300333","2025-07-04","15:50:58",""
"1575034","6.45827","0.00007","21.26402","0.00019","18.39205","0.00017","90","","94.8085","0.0009","90","","2516.87","0.04","120","0.1","120","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 B2 S3 -","- C28 H34 B2 S3 -","- C112 H136 B8 S12 -","4","2","","Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.","Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane","Chemical Science","2025","16","21","9255","9263","10.1039/D5SC02085A","","x-ray","1.54184","CuKα","","0.0394","0.0376","","","0.0959","0.0975","","","","","","1.031","","","","has coordinates,has disorder","300333","2025-07-04","15:50:58",""
"1575035","6.4133","0.0007","8.766","0.001","9.6703","0.0011","112.891","0.003","91.006","0.003","102.222","0.003","486.47","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 B2 S2 -","- C22 H30 B2 S2 -","- C22 H30 B2 S2 -","1","0.5","","Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.","Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane","Chemical Science","2025","16","21","9255","9263","10.1039/D5SC02085A","","","0.71073","MoKα","","0.0494","0.0423","","","0.1121","0.1183","","","","","","1.0978","","","","has coordinates","300333","2025-07-04","15:50:59",""
"1575036","13.5001","0.0005","15.0759","0.0005","12.6679","0.0005","90","","90","","90","","2578.25","0.16","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C29 H48 B3 N -","- C29 H48 B3 N -","- C116 H192 B12 N4 -","4","0.5","","Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.","Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane","Chemical Science","2025","16","21","9255","9263","10.1039/D5SC02085A","","","0.71073","MoKα","","0.0301","0.0199","","","0.0349","0.0388","","","","","","1.1684","","","","has coordinates","300333","2025-07-04","15:50:59",""
"1575037","12.7925","0.0004","24.0811","0.0007","13.5539","0.0005","90","","107.123","0.002","90","","3990.3","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H63 B N2 Zn -","- C43 H63 B N2 Zn -","- C172 H252 B4 N8 Zn4 -","4","1","","Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.","Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane","Chemical Science","2025","16","21","9255","9263","10.1039/D5SC02085A","","","0.71073","MoKα","","0.041","0.0237","","","0.0297","0.0335","","","","","","1.0862","","","","has coordinates,has disorder","300333","2025-07-04","15:50:59",""
"1575038","6.3123","0.0003","6.8085","0.0003","9.1809","0.0004","98.952","0.004","105.115","0.004","108.659","0.004","348.36","0.03","119.99","0.1","119.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Cu N2 O8 -","- C12 H16 Cu N2 O8 -","- C12 H16 Cu N2 O8 -","1","0.5","","Saha, Rajat; Sharma, Amitosh; Siddiqui, Anjila I.; Benmansour, Samia; Ortega-Castro, Joaquín; Frontera, Antonio; Mondal, Biswajit; Lah, Myoung Soo; Gómez García, Carlos J.","Simultaneous electron and proton conduction in a stable metal organic material with highly selective electrocatalytic oxygen reduction reaction to water","Chemical Science","2025","16","21","9501","9508","10.1039/D5SC02474A","","x-ray","1.54184","CuKα","","0.0316","0.0283","","","0.0711","0.0784","","","","","","1.112","","","","has coordinates","300334","2025-07-04","15:51:50",""
"1575039","11.8011","0.001","13.8575","0.001","26.5401","0.0017","90","","90","","90","","4340.2","0.6","149.98","0.1","149.98","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H26 Br2 N P -","- C22 H26 Br2 N P -","- C176 H208 Br16 N8 P8 -","8","2","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","x-ray","0.71073","MoKα","","0.0841","0.0534","","","0.0873","0.0999","","","","","","1.05","","","","has coordinates","300335","2025-07-04","15:54:16",""
"1575040","13.0431","0.0005","11.9668","0.0005","18.5423","0.0006","90","","100.809","0.004","90","","2842.81","0.19","302.99","0.1","302.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Br4 Mn N P -","- C24 H30 Br4 Mn N P -","- C96 H120 Br16 Mn4 N4 P4 -","4","1","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","x-ray","0.71073","MoKα","","0.1055","0.0558","","","0.103","0.1277","","","","","","1.031","","","","has coordinates","300335","2025-07-04","15:54:17",""
"1575041","13.0107","0.0006","12.3135","0.0007","18.7294","0.0008","90","","101.032","0.004","90","","2945.1","0.3","472.99","0.1","473.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Br4 Mn N P -","- C24 H30 Br4 Mn N P -","- C96 H120 Br16 Mn4 N4 P4 -","4","1","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","","0.71073","MoKα","","0.1754","0.0688","","","0.148","0.2002","","","","","","1.008","","","","has coordinates","300335","2025-07-04","15:54:18",""
"1575042","13.0405","0.0005","11.9672","0.0005","18.5389","0.0006","90","","100.787","0.004","90","","2842.03","0.19","302.99","0.1","303.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 Br4 Mn N P -","- C24 H30 Br4 Mn N P -","- C96 H120 Br16 Mn4 N4 P4 -","4","1","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","","0.71073","MoKα","","0.1131","0.0545","","","0.0936","0.1183","","","","","","1.003","","","","has coordinates","300335","2025-07-04","15:54:18",""
"1575043","13.0435","0.0003","11.7766","0.0003","18.3955","0.0004","90","","100.719","0.002","90","","2776.39","0.11","149.99","0.1","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Br4 Mn N P -","- C24 H30 Br4 Mn N P -","- C96 H120 Br16 Mn4 N4 P4 -","4","1","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","x-ray","0.71073","MoKα","","0.049","0.0376","","","0.0779","0.0841","","","","","","1.029","","","","has coordinates","300335","2025-07-04","15:54:18",""
"1575044","8.5137","0.0002","12.2993","0.0004","12.7994","0.0003","105.646","0.002","95.716","0.002","93.676","0.002","1278.38","0.06","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Br4 Mn N P -","- C22 H26 Br4 Mn N P -","- C44 H52 Br8 Mn2 N2 P2 -","2","1","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","x-ray","0.71073","MoKα","","0.0504","0.0336","","","0.0651","0.0711","","","","","","1.038","","","","has coordinates","300335","2025-07-04","15:54:18",""
"1575045","13.0324","0.0006","12.1492","0.0006","18.6523","0.0008","90","","100.893","0.004","90","","2900.1","0.2","402.99","0.1","403.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Br4 Mn N P -","- C24 H30 Br4 Mn N P -","- C96 H120 Br16 Mn4 N4 P4 -","4","1","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","","0.71073","MoKα","","0.1544","0.0648","","","0.1365","0.1824","","","","","","0.981","","","","has coordinates","300335","2025-07-04","15:54:18",""
"1575046","27.4156","0.0019","14.9303","0.0008","11.6527","0.0007","90","","101.431","0.006","90","","4675.1","0.5","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29.5 Br2 N P -","- C24 H30 Br2 N P -","- C192 H240 Br16 N8 P8 -","8","2","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","x-ray","0.71073","MoKα","","0.0891","0.0509","","","0.0929","0.1077","","","","","","1.028","","","","has coordinates","300335","2025-07-04","15:54:19",""
"1575047","4.6973","0.0008","11.16","0.002","11.554","0.002","67.35","0.005","82.509","0.004","87.05","0.005","554.2","0.17","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H20 N4 O4 S2 -","- C25 H20 N4 O4 S2 -","- C25 H20 N4 O4 S2 -","1","1","","Lai, Hui-Juan; Wang, Xu; Wang, Yuan; Wu, Wei-Na; Xu, Zhi-Hong","A Golgi-targeting fluorescent probe for the detection of hydrazine in biological and environmental systems.","Analytical methods : advancing methods and applications","2025","17","31","6317","6325","10.1039/d5ay00690b","","","0.71073","MoKα","","0.0636","0.0434","","","0.0985","0.1108","","","","","","1.062","","","","has coordinates","302390","2025-10-06","06:30:51",""
"1575048","9.2269","0.0002","13.0774","0.0003","15.755","0.0004","90","","100.223","0.001","90","","1870.88","0.08","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 F O3 -","- C24 H19 F O3 -","- C96 H76 F4 O12 -","4","2","","Lin, Ziwei; Jiang, Yuqing; Wang, Fen; Huang, Genping; Li, Jessica; Li, Xingwei","Palladium-catalyzed redox diversified entry to axially chiral styrenes <i>via</i> asymmetric olefination with alkynes.","Chemical science","2025","16","31","14252","14261","10.1039/d5sc04080a","","","1.54178","CuKα","","0.0339","0.0334","","","0.0947","0.0953","","","","","","1.03","","","","has coordinates","302512","2025-10-06","07:45:23",""
"1575049","9.8872","0.0012","31.082","0.004","11.0103","0.0014","90","","108.905","0.004","90","","3201.1","0.7","243","","243","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C152 H132 N4 O20 S4 -","- C152 H132 N4 O20 S4 -","- C152 H132 N4 O20 S4 -","1","0.5","","Lin, Ziwei; Jiang, Yuqing; Wang, Fen; Huang, Genping; Li, Jessica; Li, Xingwei","Palladium-catalyzed redox diversified entry to axially chiral styrenes <i>via</i> asymmetric olefination with alkynes.","Chemical science","2025","16","31","14252","14261","10.1039/d5sc04080a","","","1.54178","CuKα","","0.0906","0.0895","","","0.2533","0.2551","","","","","","0.995","","","","has coordinates","302512","2025-10-06","07:45:23",""
"1575050","10.0206","0.0009","15.6245","0.0014","17.2804","0.0016","90","","90","","90","","2705.5","0.4","183","","183","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N O5 S -","- C30 H33 N O5 S -","- C120 H132 N4 O20 S4 -","4","1","","Lin, Ziwei; Jiang, Yuqing; Wang, Fen; Huang, Genping; Li, Jessica; Li, Xingwei","Palladium-catalyzed redox diversified entry to axially chiral styrenes <i>via</i> asymmetric olefination with alkynes.","Chemical science","2025","16","31","14252","14261","10.1039/d5sc04080a","","","1.54178","CuKα","","0.0325","0.0318","","","0.0867","0.0874","","","","","","1.0479","","","","has coordinates","302512","2025-10-06","07:45:23",""
"1575051","11.359","0.005","9.285","0.004","9.048","0.004","90","","101.453","0.012","90","","935.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N6 O6 S2 -","- C12 H18 N6 O6 S2 -","- C24 H36 N12 O12 S4 -","2","0.5","","Spencer, Rochelle B.; Yusov, Anna; Dillon, Alexandra M.; Tiwari, Akash; Arteaga, Oriol; Sburlati, Sophia; Whittaker, St John; Wu, Wantong; Chen, Sixian; Shtukenberg, Alexander G.; Ward, Michael D.; Kahr, Bart; Lee, Stephanie S.","Guest removal from ring-banded guanidinium organosulfonate hydrogen-bonded frameworks.","Nanoscale","2025","17","22","13727","13736","10.1039/d5nr00467e","","x-ray","0.71073","MoKα","","0.1106","0.0953","","","0.2229","0.23","","","","","","1.386","","","","has coordinates","300371","2025-07-05","18:06:25",""
"1575052","13.771","0.0002","17.3783","0.0002","5.0214","0.0001","90","","90","","90","","1201.7","0.03","298","","298","","","","","","","","","6","C m c 21","C 2c -2","36","Borosilicate_TON_50","","","- C0.11 H0.27 B0.05 N0.05 O6.05 Si2.96 -","- C0.1125 H0.27 B0.045 N0.045 O6 Si2.955 -","- C0.9 H2.16 B0.36 N0.36 O48 Si23.64 -","8","1","","Liu, Li; Xie, Haodong; Ni, Xiang; Yang, Xue; Liu, Yan; Ma, Yufang; Yuan, Feixiang; Tao, Shuo; Wang, Lei; Zhu, Hongjun","Defective plane induced fractal TON zeolites for efficient hydroisomerization of long-chain hydrocarbons.","Nanoscale","2025","17","17","11049","11059","10.1039/d5nr00443h","powder diffraction","x-ray","1.5406","CuKalpha1","","","","","","","","","0.04297","2.264","","","","","","","has coordinates","300372","2025-07-05","18:06:52",""
"1575053","5.7564","0.0001","12.4294","0.0004","32.2384","0.001","90","","90","","90","","2306.61","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Br N3 O -","- C12 H10 Br N3 O -","- C96 H80 Br8 N24 O8 -","8","1","","Triviño-Rojas, Maida Katherine; Jiménez-Lopez, Santiago José; D’Vries, Richard; Aragón-Muriel, Alberto; Polo-Cerón, Dorian","In Vitro Antibacterial Activities and Calf Thymus DNA–Bovine Serum Albumin Interactions of Tridentate NNO Hydrazone Schiff Base–Metal Complexes","Inorganics","2025","13","7","213","","10.3390/inorganics13070213","","x-ray","0.71073","MoKα","","0.1001","0.0476","","","0.1103","0.1342","","","","","","0.956","","","","has coordinates","301195","2025-07-07","05:41:44",""
"1575054","8.804","0.0002","4.897","0.0001","14.5772","0.0003","90","","93.993","0.002","90","","626.94","0.02","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Ca5.25 Co2.87 Cu3.88 O32 P8 -","- Ca5.25 Co2.87 Cu3.88 O32 P8 -","- Ca5.25 Co2.87 Cu3.88 O32 P8 -","1","0.25","","Yakubovich, Olga; Kiriukhina, Galina; Shvanskaya, Larisa; Vasiliev, Alexander","Crystal Chemistry and Thermodynamic Properties of Mineralogically Probable Phosphate Ca2.62Cu1.94Co1.44(PO4)4—Structurally Related to Natural Arsenate Zubkovaite","Minerals","2025","15","6","645","","10.3390/min15060645","","","0.71073","MoKα","","0.041","0.0378","","","0.073","0.0741","","","","","","1.283","","","","has coordinates","301196","2025-07-07","12:55:55",""
"1575055","6.8027","0.0003","14.4708","0.0006","11.1451","0.0005","90","","107.098","0.0015","90","","1048.64","0.08","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl N4 O4 Re S -","- C18 H16 Cl N4 O4 Re S -","- C36 H32 Cl2 N8 O8 Re2 S2 -","2","1","","Abdallah, Abanoub Mosaad; Wolff, Mariusz; Leygue, Nadine; Deleuzière, Maëlle; Saffon-Merceron, Nathalie; Serpentini, Charles-Louis; Benoist, Eric; Fery-Forgues, Suzanne","Influence of Ligand Isomerism on the Photophysical Properties of AIPE-Active Rhenium(I) Complexes: Investigations with a 2-(1,2,3-Triazol-1-yl)pyridine (Tapy)-Based Complex and Its Triazolylidene Derivatives","Molecules","2025","30","13","2776","","10.3390/molecules30132776","","","1.54178","CuKα","","0.0263","0.0257","","","0.0645","0.0652","","","","","","1.061","","","","has coordinates,has disorder","301197","2025-07-07","14:11:02",""
"1575056","7.9671","0.0004","11.1386","0.0006","12.6625","0.0007","89.6778","0.0016","79.3892","0.0014","75.9949","0.0014","1070.76","0.1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl3 N4 O3 Re -","- C18 H14 Cl3 N4 O3 Re -","- C36 H28 Cl6 N8 O6 Re2 -","2","1","","Abdallah, Abanoub Mosaad; Wolff, Mariusz; Leygue, Nadine; Deleuzière, Maëlle; Saffon-Merceron, Nathalie; Serpentini, Charles-Louis; Benoist, Eric; Fery-Forgues, Suzanne","Influence of Ligand Isomerism on the Photophysical Properties of AIPE-Active Rhenium(I) Complexes: Investigations with a 2-(1,2,3-Triazol-1-yl)pyridine (Tapy)-Based Complex and Its Triazolylidene Derivatives","Molecules","2025","30","13","2776","","10.3390/molecules30132776","","","0.71073","MoKα","","0.0169","0.0151","","","0.0346","0.0354","","","","","","1.027","","","","has coordinates","301197","2025-07-07","14:11:07",""
"1575057","8.3767","0.0004","7.3859","0.0003","30.3253","0.0013","90","","95.9593","0.0017","90","","1866.07","0.14","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl N4 O3 Re -","- C18 H14 Cl N4 O3 Re -","- C72 H56 Cl4 N16 O12 Re4 -","4","1","","Abdallah, Abanoub Mosaad; Wolff, Mariusz; Leygue, Nadine; Deleuzière, Maëlle; Saffon-Merceron, Nathalie; Serpentini, Charles-Louis; Benoist, Eric; Fery-Forgues, Suzanne","Influence of Ligand Isomerism on the Photophysical Properties of AIPE-Active Rhenium(I) Complexes: Investigations with a 2-(1,2,3-Triazol-1-yl)pyridine (Tapy)-Based Complex and Its Triazolylidene Derivatives","Molecules","2025","30","13","2776","","10.3390/molecules30132776","","","1.54178","CuKα","","0.0274","0.0267","","","0.0659","0.0663","","","","","","1.131","","","","has coordinates","301197","2025-07-07","14:11:13",""
"1575058","9.3125","0.0004","12.2753","0.0005","16.5599","0.0006","88.747","0.001","88.494","0.001","79.656","0.001","1861.33","0.13","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl N4 O3 Re -","- C18 H14 Cl N4 O3 Re -","- C72 H56 Cl4 N16 O12 Re4 -","4","2","","Abdallah, Abanoub Mosaad; Wolff, Mariusz; Leygue, Nadine; Deleuzière, Maëlle; Saffon-Merceron, Nathalie; Serpentini, Charles-Louis; Benoist, Eric; Fery-Forgues, Suzanne","Influence of Ligand Isomerism on the Photophysical Properties of AIPE-Active Rhenium(I) Complexes: Investigations with a 2-(1,2,3-Triazol-1-yl)pyridine (Tapy)-Based Complex and Its Triazolylidene Derivatives","Molecules","2025","30","13","2776","","10.3390/molecules30132776","","","0.71073","MoKα","","0.0586","0.0317","","","0.0489","0.0547","","","","","","1.021","","","","has coordinates","301197","2025-07-07","14:11:20",""
"1575059","19.3954","0.0003","35.2095","0.0005","21.6237","0.0003","90","","113.369","0.002","90","","13555.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C158 H202 Fe4 Se2 Sn2 -","- C158 H202 Fe4 Se2 Sn2 -","- C632 H808 Fe16 Se8 Sn8 -","4","1","","Iijima, Keisuke; Sugamata, Koh; Sasamori, Takahiro","Ferrocenyl Substituted Stannanethione and Stannaneselone","Molecules","2025","30","13","2826","","10.3390/molecules30132826","","","0.71073","MoKα","","0.047","0.0375","","","0.0915","0.0962","","","","","","1.026","","","","has coordinates,has disorder","301198","2025-07-07","14:13:10",""
"1575060","15.4833","0.0002","22.5112","0.0002","20.9383","0.0003","90","","108.018","0.001","90","","6940.1","0.15","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H98 Fe2 S4 Sn -","- C76 H98 Fe2 S4 Sn -","- C304 H392 Fe8 S16 Sn4 -","4","1","","Iijima, Keisuke; Sugamata, Koh; Sasamori, Takahiro","Ferrocenyl Substituted Stannanethione and Stannaneselone","Molecules","2025","30","13","2826","","10.3390/molecules30132826","","","0.71073","MoKα","","0.0388","0.0333","","","0.0742","0.0765","","","","","","1.069","","","","has coordinates","301198","2025-07-07","14:13:20",""
"1575061","18.3966","0.0002","30.5224","0.0004","13.0978","0.0002","90","","90","","90","","7354.52","0.17","103","2","103","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C76 H98 Fe2 S5.2 Sn -","- C76 H98 Fe2 S5.2 Sn -","- C304 H392 Fe8 S20.8 Sn4 -","4","0.5","","Iijima, Keisuke; Sugamata, Koh; Sasamori, Takahiro","Ferrocenyl Substituted Stannanethione and Stannaneselone","Molecules","2025","30","13","2826","","10.3390/molecules30132826","","","0.71073","MoKα","","0.0513","0.0449","","","0.0924","0.0943","","","","","","1.237","","","","has coordinates,has disorder","301198","2025-07-07","14:13:20",""
"1575062","25.7657","0.0003","11.3819","0.0001","25.9495","0.0003","90","","111.185","0.001","90","","7095.72","0.14","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H98 Fe2 Se4.2 Sn -","- C76 H98 Fe2 Se4.2 Sn -","- C304 H392 Fe8 Se16.8 Sn4 -","4","1","","Iijima, Keisuke; Sugamata, Koh; Sasamori, Takahiro","Ferrocenyl Substituted Stannanethione and Stannaneselone","Molecules","2025","30","13","2826","","10.3390/molecules30132826","","","0.71073","MoKα","","0.0529","0.048","","","0.1107","0.1132","","","","","","1.139","","","","has coordinates,has disorder","301198","2025-07-07","14:13:20",""
"1575063","12.6041","0.0001","13.7615","0.0001","23.5222","0.0002","97.278","0.001","103.25","0.001","100.371","0.001","3845.9","0.06","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H114 Fe2 S Sn -","- C88 H114 Fe2 S Sn -","- C176 H228 Fe4 S2 Sn2 -","2","1","","Iijima, Keisuke; Sugamata, Koh; Sasamori, Takahiro","Ferrocenyl Substituted Stannanethione and Stannaneselone","Molecules","2025","30","13","2826","","10.3390/molecules30132826","","","0.71073","MoKα","","0.0383","0.0363","","","0.093","0.0943","","","","","","1.046","","","","has coordinates,has disorder","301198","2025-07-07","14:13:21",""
"1575064","11.5071","0.0001","16.237","0.0002","20.2036","0.0002","90","","104.665","0.001","90","","3651.88","0.07","103","2","103","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C82 H114 Fe2 O S Sn -","- C82 H114 Fe2 O S Sn -","- C164 H228 Fe4 O2 S2 Sn2 -","2","0.5","","Iijima, Keisuke; Sugamata, Koh; Sasamori, Takahiro","Ferrocenyl Substituted Stannanethione and Stannaneselone","Molecules","2025","30","13","2826","","10.3390/molecules30132826","","","0.71073","MoKα","","0.0348","0.0315","","","0.0764","0.078","","","","","","1.068","","","","has coordinates,has disorder","301198","2025-07-07","14:13:21",""
"1575065","26.6167","0.0005","26.6167","0.0005","11.781","0.0002","90","","90","","90","","8346.2","0.3","250","2","250","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H21 B N2 O2 -","- C26 H19 B N2 O -","- C416 H304 B16 N32 O16 -","16","1","","Cinco, Anita; Ardizzoia, G. Attilio; Brenna, Stefano; Therrien, Bruno; Colombo, Gioele","Boron-Centered Compounds: Exploring the Optical Properties of Spiro Derivatives with Imidazo[1,5-<i>a</i>]Pyridines.","Molecules (Basel, Switzerland)","2025","30","12","2552","","10.3390/molecules30122552","","x-ray","1.54186","CuKα","","0.0467","0.0421","","","0.1169","0.122","","","","","","1.0536","","","","has coordinates","301199","2025-07-07","14:14:32",""
"1575066","8.2856","0.0012","17.898","0.002","21.953","0.003","108.813","0.011","97.313","0.012","93.276","0.011","3039.8","0.7","150","0.14","150","0.14","","","","","","","","4","P -1","-P 1","2","","Syn 1","","- C65.1 H32.4 Cl16 N2 -","- C56 H22 Cl16 N2 -","- C112 H44 Cl32 N4 -","2","1","","Arnold, Mona E.; Lebzelter, Anika; Thielert, Philipp; Blinder, Rémi; Schmid, Jonas; Zolg, Julia; Spatola, Emanuele; Jelezko, Fedor; von Delius, Max; Richert, Sabine; Kuehne, Alexander J. C.","Photostable triphenylmethyl-based diradicals with a degenerate singlet-triplet ground state and strong photoluminescence.","Chemical science","2025","16","32","14616","14624","10.1039/d5sc03673a","","x-ray","1.54184","CuKα","","0.1899","0.0882","","","0.1854","0.2727","","","","","","0.852","","","","has coordinates","302492","2025-10-06","07:37:46",""
"1575067","21.8986","0.0004","22.3981","0.0004","43.4906","0.0008","104.597","0.002","98.324","0.002","94.218","0.002","20290.3","0.7","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C401 H398.2 B10.45 Br6.8 Cl0.15 F41.8 N72 Ni8 O40 -","- C370 H273.2 B10.35 Br6.8 Cl0.15 F41.4 N72 Ni8 O8.5 -","- C740 H546.4 B20.7 Br13.6 Cl0.3 F82.8 N144 Ni16 O17 -","2","1","","Williams, James R.; Ward, Michael D.","An investigation into catalysed xanthene-based dye oxidation by a family of coordination cages.","Nanoscale","2025","17","29","17285","17293","10.1039/d5nr02293b","","x-ray","1.54184","CuKα","","0.1691","0.0885","","","0.2214","0.2636","","","","","","1.004","","","","has coordinates,has disorder","301611","2025-08-05","22:15:42",""
"1575068","12.6814","0.0004","12.1894","0.0004","20.2334","0.0008","90","","104.141","0.004","90","","3032.88","0.19","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tris(2-(1-methyl-1H-pyrazol-3-yl)pyridine)cobalt-di(tetrafluoroborate)","","- C27 H27 B2 Co F8 N9 -","- C27 H27 B2 Co F8 N9 -","- C108 H108 B8 Co4 F32 N36 -","4","1","","Williams, James R.; Ward, Michael D.","An investigation into catalysed xanthene-based dye oxidation by a family of coordination cages.","Nanoscale","2025","17","29","17285","17293","10.1039/d5nr02293b","","x-ray","1.54184","CuKα","","0.1073","0.0813","","","0.2266","0.2477","","","","","","1.04","","","","has coordinates,has disorder","301611","2025-08-05","22:15:43",""
"1575069","32.9811","0.0002","30.0048","0.0002","39.7967","0.0003","90","","96.454","0.001","90","","39132.9","0.5","100","0.1","100.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C372.2 H412.8 B12.75 Cl1.55 F51 Fe8 N72 O38.2 -","- C349.2 H320.8 B12.15 Cl1.55 F48.6 Fe8 N72 O15.2 -","- C1396.8 H1283.2 B48.6 Cl6.2 F194.4 Fe32 N288 O60.8 -","4","0.5","","Williams, James R.; Ward, Michael D.","An investigation into catalysed xanthene-based dye oxidation by a family of coordination cages.","Nanoscale","2025","17","29","17285","17293","10.1039/d5nr02293b","","","1.54184","CuKα","","0.0863","0.0698","","","0.1965","0.2089","","","","","","1.029","","","","has coordinates,has disorder","301611","2025-08-05","22:15:43",""
"1575070","21.4417","0.0002","22.1353","0.0002","24.3064","0.0003","78.562","0.001","72.319","0.001","88.964","0.001","10762.1","0.2","100","0.1","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C406.5 H427.5 B10.82 F43.28 N75 Ni8 O40.5 S3 -","- C376.5 H307.5 B7.82 F31.28 N75 Ni8 O10.5 S3 -","- C376.5 H307.5 B7.82 F31.28 N75 Ni8 O10.5 S3 -","1","0.5","","Williams, James R.; Ward, Michael D.","An investigation into catalysed xanthene-based dye oxidation by a family of coordination cages.","Nanoscale","2025","17","29","17285","17293","10.1039/d5nr02293b","","","1.54184","CuKα","","0.1268","0.0949","","","0.298","0.3252","","","","","","1.163","","","","has coordinates,has disorder","301611","2025-08-05","22:15:43",""
"1575071","12.0927","0.0005","12.8115","0.0006","26.9444","0.0009","90","","90","","90","","4174.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H24 B10 S3 Ti -","- C12 H24 B10 S3 Ti -","- C96 H192 B80 S24 Ti8 -","8","1","","Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal","Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3).","Chemical science","2025","16","31","14127","14139","10.1039/d5sc03562g","","","0.71073","MoKα","","0.0864","0.0506","","","0.1038","0.1194","","","","","","1.028","","","","has coordinates","302505","2025-10-06","07:43:06",""
"1575072","10.449","0.002","14.2128","0.0019","13.26","0.003","90","","92.289","0.007","90","","1967.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 B9 S3 V -","- C12 H24 B9 S3 V -","- C48 H96 B36 S12 V4 -","4","1","","Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal","Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3).","Chemical science","2025","16","31","14127","14139","10.1039/d5sc03562g","","","0.71073","MoKα","","0.1146","0.0565","","","0.1075","0.1322","","","","","","0.994","","","","has coordinates","302505","2025-10-06","07:43:09",""
"1575073","13.4518","0.0006","12.5002","0.0006","19.0272","0.0011","90","","90","","90","","3199.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H14 B10 S3 Ti -","- C7 H14 B10 S3 Ti -","- C56 H112 B80 S24 Ti8 -","8","1","","Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal","Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3).","Chemical science","2025","16","31","14127","14139","10.1039/d5sc03562g","","","0.71073","MoKα","","0.0379","0.029","","","0.0709","0.0764","","","","","","1.048","","","","has coordinates,has disorder","302505","2025-10-06","07:43:10",""
"1575074","12.1687","0.0009","12.8758","0.001","26.9268","0.0018","90","","90","","90","","4218.9","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H27 B11 S2 Ti -","- C12 H27 B11 S2 Ti -","- C96 H216 B88 S16 Ti8 -","8","1","","Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal","Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3).","Chemical science","2025","16","31","14127","14139","10.1039/d5sc03562g","","","0.71073","MoKα","","0.0594","0.0433","","","0.1091","0.1175","","","","","","1.123","","","","has coordinates","302505","2025-10-06","07:43:10",""
"1575075","22.5923","0.0005","21.4585","0.0009","12.9948","0.001","90","","96.737","0.0014","90","","6256.3","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83 H130 B10 S15 Ti10 -","- C83 H130 B10 S15 Ti10 -","- C166 H260 B20 S30 Ti20 -","2","0.5","","Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal","Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3).","Chemical science","2025","16","31","14127","14139","10.1039/d5sc03562g","","","0.71073","MoKα","","0.0977","0.0763","","","0.2219","0.2465","","","","","","1.05","","","","has coordinates,has disorder","302505","2025-10-06","07:43:10",""
"1575076","13.468","0.0008","24.0416","0.0015","22.536","0.0016","90","","100.988","0.002","90","","7163.2","0.8","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H160 B40 O4 S20 Ti12 -","- C88 H160 B40 O4 S20 Ti12 -","- C176 H320 B80 O8 S40 Ti24 -","2","0.5","","Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal","Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3).","Chemical science","2025","16","31","14127","14139","10.1039/d5sc03562g","","","0.71073","MoKα","","0.0698","0.0445","","","0.1111","0.1256","","","","","","1.026","","","","has coordinates","302505","2025-10-06","07:43:10",""
"1575077","7.6245","0.0008","11.3457","0.0011","18.9104","0.0016","98.867","0.007","96.371","0.008","104.22","0.009","1547.7","0.3","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C43 H30 N2 -","- C43 H30 N2 -","- C86 H60 N4 -","2","1","","Du, Yuqin; Peng, Yali; Dong, Wenjian; Xu, Huixia; Li, Xinyu; Chen, Kang; Wang, Feng; Miao, Yanqin; Tao, Peng; Wang, Hua; Yu, Junsheng","Hybridized local and charge-transfer materials using pyrene as π-bridge towards negligible efficiency roll-off in non-doped OLED.","Chemical science","2025","16","31","14342","14349","10.1039/d5sc01756d","","x-ray","0.71073","MoKα","","0.1451","0.0693","","","0.1559","0.1898","","","","","","1.002","","","","has coordinates","302517","2025-10-06","07:46:24",""
"1575078","7.88303","0.00017","9.5602","0.0003","36.0425","0.0008","90","","93.3839","0.0019","90","","2711.55","0.12","160","0.1","160","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 B Br2 F2 N2 O3 -","- C30 H25 B Br2 F2 N2 O3 -","- C120 H100 B4 Br8 F8 N8 O12 -","4","1","","Kuznetsov, Kirill M.; Mesdom, Pierre; Purkait, Kallol; Blacque, Olivier; Winter, Arthur H.; Cariou, Kevin; Gasser, Gilles","Phototoxicity of hydroxymethyl-BODIPYs: are photocages that innocent?","Chemical science","2025","16","32","14553","14563","10.1039/d5sc04032a","","x-ray","1.54184","CuKα","","0.0669","0.0572","","","0.1396","0.1441","","","","","","1.194","","","","has coordinates","302495","2025-10-06","07:38:56",""
"1575079","9.4724","0.0007","36.55","0.003","9.4864","0.0007","90","","117.303","0.003","90","","2918.4","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H34 B N O2 -","- C39 H34 B N O2 -","- C156 H136 B4 N4 O8 -","4","2","","Chen, Zi-Jian; Lu, Hsiu-Feng; Chiu, Chun-Wei; Liu, Yi-Hung; Hsu, Chao-Ping; Yang, Jye-Shane","Extrinsic gating of the rotary direction of a light-driven molecular motor by dynamic boronic acid-diol complexation.","Chemical science","2025","16","31","14366","14376","10.1039/d5sc03240g","","","1.54178","CuKα","","0.0635","0.0586","","","0.1525","0.1611","","","","","","1.071","","","","has coordinates","302510","2025-10-06","07:44:31",""
"1575080","17.4621","0.001","8.4696","0.0005","27.8916","0.0016","90","","90","","90","","4125.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H24 B N O2 -","- C25 H24 B N O2 -","- C200 H192 B8 N8 O16 -","8","1","","Chen, Zi-Jian; Lu, Hsiu-Feng; Chiu, Chun-Wei; Liu, Yi-Hung; Hsu, Chao-Ping; Yang, Jye-Shane","Extrinsic gating of the rotary direction of a light-driven molecular motor by dynamic boronic acid-diol complexation.","Chemical science","2025","16","31","14366","14376","10.1039/d5sc03240g","","","1.54178","CuKα","","0.0407","0.0394","","","0.0982","0.0995","","","","","","1.06","","","","has coordinates","302510","2025-10-06","07:44:33",""
"1575081","10.2164","0.0009","11.4613","0.001","29.273","0.003","90","","90.266","0.003","90","","3427.6","0.6","297.15","","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl2 Ir2 N8 -","- C36 H28 Cl2 Ir2 N8 -","- C144 H112 Cl8 Ir8 N32 -","4","1","","Wójcik, Patryk; Latouche, Camille; Suwińska, Kinga; Kamecka, Anna","Spectroscopic, structural and photophysical characterization of chloro-bridged iridium(III) and rhodium(III) dinuclear complexes with 1-phenyl-1<i>H</i>-pyrazole and their analogues with 1-(2,4-difluorophenyl)-1<i>H</i>-pyrazole.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","12018","12029","10.1039/d5dt01156f","","","0.71073","MoKα","","0.0321","0.0249","","","0.05","0.0544","","","","","","1.24","","","","has coordinates","302635","2025-10-06","09:21:08",""
"1575082","14.4351","0.0005","22.1559","0.0007","14.2328","0.0005","90","","113.577","0.001","90","","4172","0.2","295.15","","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H20 Cl2 F8 N8 Rh2 -","- C36 H20 Cl2 F8 N8 Rh2 -","- C144 H80 Cl8 F32 N32 Rh8 -","4","0.5","","Wójcik, Patryk; Latouche, Camille; Suwińska, Kinga; Kamecka, Anna","Spectroscopic, structural and photophysical characterization of chloro-bridged iridium(III) and rhodium(III) dinuclear complexes with 1-phenyl-1<i>H</i>-pyrazole and their analogues with 1-(2,4-difluorophenyl)-1<i>H</i>-pyrazole.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","12018","12029","10.1039/d5dt01156f","","","0.71073","MoKα","","0.0451","0.0355","","","0.0893","0.1012","","","","","","1.189","","","","has coordinates","302635","2025-10-06","09:21:08",""
"1575083","35.035","0.003","10.1418","0.0008","16.1052","0.0015","90","","108.426","0.003","90","","5429.1","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H43 N2 Sc -","- C32 H43 N2 Sc -","- C256 H344 N16 Sc8 -","8","1","","You, Fen; Zhao, Yanan; Shi, Xiaochao","Octahydrofluorenyl rare-earth metal-catalyzed simultaneous chain-growth and step-growth polymerization of para-methoxystyrene","Polymer Chemistry","2025","16","32","3650","3660","10.1039/D5PY00591D","","","0.71073","MoKα","","0.0533","0.0388","","","0.0891","0.1009","","","","","","1.074","","","","has coordinates,has disorder","302794","2025-10-06","10:39:38",""
"1575084","35.6226","0.0008","10.224","0.0002","16.1859","0.0003","90","","108.227","0.001","90","","5599.2","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H43 Gd N2 -","- C32 H43 Gd N2 -","- C256 H344 Gd8 N16 -","8","1","","You, Fen; Zhao, Yanan; Shi, Xiaochao","Octahydrofluorenyl rare-earth metal-catalyzed simultaneous chain-growth and step-growth polymerization of para-methoxystyrene","Polymer Chemistry","2025","16","32","3650","3660","10.1039/D5PY00591D","","","0.71073","MoKα","","0.0269","0.0209","","","0.0467","0.0505","","","","","","1.085","","","","has coordinates,has disorder","302794","2025-10-06","10:39:39",""
"1575085","35.5583","0.0011","10.2175","0.0003","16.1683","0.0006","90","","108.351","0.001","90","","5575.5","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H43 N2 Tb -","- C32 H43 N2 Tb -","- C256 H344 N16 Tb8 -","8","1","","You, Fen; Zhao, Yanan; Shi, Xiaochao","Octahydrofluorenyl rare-earth metal-catalyzed simultaneous chain-growth and step-growth polymerization of para-methoxystyrene","Polymer Chemistry","2025","16","32","3650","3660","10.1039/D5PY00591D","","","0.71073","MoKα","","0.0256","0.0221","","","0.0447","0.0465","","","","","","1.097","","","","has coordinates,has disorder","302794","2025-10-06","10:39:39",""
"1575086","35.403","0.003","10.1885","0.001","16.1303","0.0011","90","","108.195","0.002","90","","5527.3","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H43 Er N2 -","- C32 H43 Er N2 -","- C256 H344 Er8 N16 -","8","1","","You, Fen; Zhao, Yanan; Shi, Xiaochao","Octahydrofluorenyl rare-earth metal-catalyzed simultaneous chain-growth and step-growth polymerization of para-methoxystyrene","Polymer Chemistry","2025","16","32","3650","3660","10.1039/D5PY00591D","","","0.71073","MoKα","","0.0347","0.0272","","","0.0555","0.0595","","","","","","1.081","","","","has coordinates,has disorder","302794","2025-10-06","10:39:39",""
"1575087","23.5797","0.001","8.776","0.0003","27.269","0.001","90","","98.793","0.002","90","","5576.6","0.4","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H24 B N3 -","- C42 H24 B N3 -","- C336 H192 B8 N24 -","8","1","","Xu, Yincai; Xue, Yufeng; Mei, Le; Xie, Zongliang; Wu, Zhu; Yin, Zheng; Chen, Xian-Kai; Wang, Yue; Liu, Bin","Organic full-color narrowband afterglow.","Materials horizons","2025","12","20","8555","8564","10.1039/d5mh00980d","","","0.71073","MoKα","","0.0684","0.0494","","","0.1067","0.1232","","","","","","1.0796","","","","has coordinates","303972","2025-11-29","22:22:18",""
"1575088","20.6","","20.6","","7.36","","90","","90","","90","","3123.29","","293","2","293","2","","","","","","","","4","P 42","P 4c","77","CIM-2","","","- C H N O -","- C162 H112 N8 O8 -","- C162 H112 N8 O8 -","1","0.25","","Liu, Jiaqiang; Su, Xin; Xu, Yan; Tang, Weiwei; Yang, Taimin; Gong, Junbo","Facile and scalable synthesis of high-quality three-dimensional imine-linked covalent organic frameworks <i>via</i> crystalline intermediate transformation.","Chemical science","2025","16","33","15037","15044","10.1039/d5sc04741b","","","0.0197","","","0.2291","0.1943","","","0.4532","0.4966","","","","","","1.023","","","","has coordinates","302500","2025-10-06","07:40:13",""
"1575089","24.8","","24.8","","7.86","","90","","90","","90","","4834.21","","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","CIM-1","","","- C228 H128 N16 O16 -","- C228 H128 N16 O16 -","- C228 H128 N16 O16 -","1","0.0625","","Liu, Jiaqiang; Su, Xin; Xu, Yan; Tang, Weiwei; Yang, Taimin; Gong, Junbo","Facile and scalable synthesis of high-quality three-dimensional imine-linked covalent organic frameworks <i>via</i> crystalline intermediate transformation.","Chemical science","2025","16","33","15037","15044","10.1039/d5sc04741b","","","0.0197","","","0.3152","0.2696","","","0.6413","0.659","","","","","","1.075","","","","has coordinates","302500","2025-10-06","07:40:14",""
"1575090","6.6993","0.0011","14.819","0.002","21.974","0.003","90","","90","","90","","2181.5","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 B O4 -","- C23 H29 B O4 -","- C92 H116 B4 O16 -","4","1","","Ramudu, G. Raghu; Patil, Vaibhav B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","Cu(i)-catalyzed enantioselective and stereospecific borylative annulation of cyclic 1,3-dione-tethered 1,3-enynes.","Chemical science","2025","16","33","14988","14994","10.1039/d5sc03007b","","","0.71073","MoKα","","0.0849","0.0522","","","0.1022","0.1123","","","","","","1.033","","","","has coordinates,has disorder","302501","2025-10-06","07:40:36",""
"1575091","6.661","0.002","19.722","0.005","20.481","0.005","90","","90","","90","","2690.6","1.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 B Br O4 -","- C29 H32 B Br O4 -","- C116 H128 B4 Br4 O16 -","4","1","","Ramudu, G. Raghu; Patil, Vaibhav B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","Cu(i)-catalyzed enantioselective and stereospecific borylative annulation of cyclic 1,3-dione-tethered 1,3-enynes.","Chemical science","2025","16","33","14988","14994","10.1039/d5sc03007b","","","0.71073","MoKα","","0.1134","0.0462","","","0.1034","0.1278","","","","","","1.01","","","","has coordinates,has disorder","302501","2025-10-06","07:40:38",""
"1575092","8.1618","0.0002","11.0202","0.0003","12.1858","0.0003","80.226","0.006","71.038","0.005","81.929","0.006","1017.24","0.06","93","2","93.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C48 H46 N2 O10 -","2","1","","Isono, Tomohiro; Harada, Shingo; Yanagawa, Mai; Nemoto, Tetsuhiro","Copper-catalyzed direct regioselective C5-H alkylation reactions of functionalized indoles with α-diazomalonates.","Chemical science","2025","16","33","14967","14975","10.1039/d5sc03417e","","x-ray","1.54187","CuKα","","0.0563","0.0429","","","0.1096","0.1165","","","","","","1.054","","","","has coordinates,has disorder","302499","2025-10-06","07:39:58",""
"1575093","9.3355","0.0008","11.5289","0.0012","14.8376","0.0015","100.397","0.003","93.544","0.003","110.076","0.003","1462","0.2","102","2","102","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H28 N4 O4 -","- C37 H28 N4 O4 -","- C74 H56 N8 O8 -","2","1","","Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens","Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials.","Chemical science","2025","16","34","15723","15733","10.1039/d5sc03028e","","x-ray","0.71073","MoKα","","0.089","0.063","","","0.1617","0.1877","","","","","","1.014","","","","has coordinates","302553","2025-10-06","08:02:14",""
"1575094","30.5559","0.0013","6.7574","0.0003","21.5694","0.0009","90","","124.734","0.002","90","","3660","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H13 F2 N3 O2 -","- C22 H13 F2 N3 O2 -","- C176 H104 F16 N24 O16 -","8","1","","Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens","Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials.","Chemical science","2025","16","34","15723","15733","10.1039/d5sc03028e","","x-ray","1.54178","CuKα","","0.0619","0.048","","","0.1237","0.1368","","","","","","1.02","","","","has coordinates","302553","2025-10-06","08:02:15",""
"1575095","6.8945","0.0007","7.9423","0.0008","12.3462","0.0012","74.095","0.003","83.457","0.003","82.201","0.003","642.07","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 N4 O2 -","- C34 H22 N4 O2 -","- C34 H22 N4 O2 -","1","0.5","","Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens","Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials.","Chemical science","2025","16","34","15723","15733","10.1039/d5sc03028e","","","0.71073","MoKα","","0.061","0.0478","","","0.1329","0.1438","","","","","","1.041","","","","has coordinates","302553","2025-10-06","08:02:15",""
"1575096","7.684","0.0007","7.9687","0.0008","12.3504","0.0012","71.581","0.003","72.351","0.003","85.723","0.003","683.53","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 N4 O4 -","- C36 H26 N4 O4 -","- C36 H26 N4 O4 -","1","0.5","","Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens","Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials.","Chemical science","2025","16","34","15723","15733","10.1039/d5sc03028e","","","1.54178","CuKα","","0.0378","0.0345","","","0.0928","0.0964","","","","","","1.067","","","","has coordinates","302553","2025-10-06","08:02:15",""
"1575097","11.6575","0.0002","12.9957","0.0003","14.0878","0.0003","66.322","0.001","89.808","0.001","75.429","0.001","1880.21","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 F2 N3 O2 -","- C23 H15 F2 N3 O2 -","- C92 H60 F8 N12 O8 -","4","2","","Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens","Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials.","Chemical science","2025","16","34","15723","15733","10.1039/d5sc03028e","","x-ray","1.54178","CuKα","","0.0417","0.0337","","","0.0829","0.0883","","","","","","1.031","","","","has coordinates","302553","2025-10-06","08:02:15",""
"1575098","17.4318","0.0003","7.66062","0.00014","34.8985","0.0004","90","","98.133","0.0013","90","","4613.42","0.13","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H54 B3 N O2 -","- C59 H54 B3 N O2 -","- C236 H216 B12 N4 O8 -","4","1","","Wu, Sen; Chen, Dongyang; Seinfeld, Mathilde; McKay, Aidan P.; Cordes, David B.; Zhang, Xiaohong; Zysman-Colman, Eli","A three boron doped B/O/N multi-resonant TADF emitter for improved reverse intersystem crossing rate and efficient pure blue organic light-emitting diodes.","Chemical science","2025","16","33","15256","15264","10.1039/d5sc03560k","","x-ray","1.54184","CuKα","","0.1151","0.0818","","","0.1905","0.2076","","","","","","1.143","","","","has coordinates","302497","2025-10-06","07:39:25",""
"1575099","12.1103","0.0016","12.1103","0.0016","94.1","0.02","90","","90","","120","","11952","3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C66 H50 N6 Na4 O25 Si2 -","- C66 H50.0004 N6 Na4 O25 Si2 -","- C396 H300.002 N36 Na24 O150 Si12 -","6","0.166667","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.176","0.1432","","","0.313","0.3272","","","","","","1.109","","","","has coordinates,has disorder","302494","2025-10-06","07:38:43",""
"1575100","12.0214","0.0019","12.0214","0.0019","46.609","0.012","90","","90","","120","","5833","2","150","2","150","2","","","","","","","","6","P 3","P 3","143","","","","- C105 H107.5 N9.5 Na4 O23.5 Si2 -","- C81 H57 N6 Na4 O19.5 Si2 -","- C162 H114 N12 Na8 O39 Si4 -","2","0.666667","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.2075","0.094","","","0.232","0.2719","","","","","","1.074","","","","has coordinates","302494","2025-10-06","07:38:43",""
"1575101","12.0134","0.001","12.0134","0.001","44.831","0.008","90","","90","","120","","5603.3","1.2","150","2","150","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C212 H232 N14 Na8 O49 Si4 -","- C156 H96 N12 Na8 O36 Si4 -","- C156 H96 N12 Na8 O36 Si4 -","1","0.0833333","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.1243","0.0948","","","0.2369","0.2541","","","","","","1.046","","","","has coordinates","302494","2025-10-06","07:38:43",""
"1575102","15.2692","0.0002","15.2692","0.0002","28.4569","0.0007","90","","90","","120","","5745.8","0.18","150","2","150","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C92 H94 N6 Na4 O33 S3 Si2 -","- C84 H74.0004 N6 Na3.9999 O31 S3 Si2 -","- C168 H148.001 N12 Na7.9998 O62 S6 Si4 -","2","0.333333","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.077","0.0722","","","0.2028","0.2094","","","","","","1.037","","","","has coordinates,has disorder","302494","2025-10-06","07:38:43",""
"1575103","40.459","0.004","18.6423","0.0018","33.242","0.004","90","","95.13","0.006","90","","24972","5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C110.6 H139.3 N6 Na4 O38.05 Si2 -","- C102 H120 N6 Na4 O35 Si2 -","- C816 H960 N48 Na32 O280 Si16 -","8","1","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.2424","0.1768","","","0.3603","0.3869","","","","","","1.061","","","","has coordinates,has disorder","302494","2025-10-06","07:38:43",""
"1575104","26.7856","0.0007","22.6021","0.0007","23.289","0.0006","90","","113.954","0.002","90","","12885.1","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C233 H311 N12 Na8 O66.5 Si4 -","- C179 H176 N12 Na8 O53 Si4 -","- C358 H352 N24 Na16 O106 Si8 -","2","0.5","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.1571","0.1213","","","0.2793","0.2992","","","","","","1.012","","","","has coordinates,has disorder","302494","2025-10-06","07:38:43",""
"1575105","20.0833","0.0007","21.0558","0.0007","24.167","0.0008","97.617","0.002","111.2","0.002","91.323","0.002","9415.9","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H61.5 N6 Na4 O28.5 Si2 -","- C83.5 H74.5 N6 Na4 O27 Si2 -","- C334 H298 N24 Na16 O108 Si8 -","4","2","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.1624","0.0976","","","0.2192","0.2489","","","","","","1.041","","","","has coordinates","302494","2025-10-06","07:38:43",""
"1575106","7.608","0.003","14.414","0.004","11.847","0.004","90","","102.228","0.012","90","","1269.7","0.7","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H37 N3 O4 S -","- C25 H37 N3 O4 S -","- C50 H74 N6 O8 S2 -","2","1","","Yang, Zhongzhen; Li, Li; Chen, Jian; Hou, Jinyu; Fan, Hongying; Zhang, Xue; Lv, Guanghui; Wu, Yong","Cost-effective chiral auxiliary-assisted remote asymmetric C(sp3)–H alkylation of hydroxamic acid derivatives with glycine derivatives","Catalysis Science & Technology","2025","15","16","4866","4871","10.1039/D5CY00604J","","","0.71073","MoKα","","0.0593","0.0411","","","0.0963","0.1074","","","","","","1.02","","","","has coordinates","302392","2025-10-06","06:32:30",""
"1575107","9.5069","0.0003","14.7416","0.0005","12.734","0.0004","90","","90.609","0.003","90","","1784.53","0.1","300.24","0.1","300.24","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C36 H30 Cl5 In S2 -","- C36 H30 Cl5 In S2 -","- C72 H60 Cl10 In2 S4 -","2","0.5","","Qin, Ying; Tang, Yali; Pan, Yue Xiao; Chen, Yingnuo; Xiao, Hongping; Zou, Jun","Tailoring the properties of Sb<sup>3+</sup>-doped in-based organic-inorganic hybrid metal halides through A-site cation engineering.","Chemical communications (Cambridge, England)","2025","61","67","12518","12521","10.1039/d5cc03205a","","x-ray","0.71073","MoKα","","0.0227","0.0223","","","0.0511","0.0512","","","","","","1.029","","","","has coordinates","303582","2025-11-29","17:57:43",""
"1575108","14.2222","0.0006","9.351","0.0004","12.4182","0.0005","90","","93.818","0.004","90","","1647.85","0.12","304.13","0.1","304.13","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H35 Cl6 In N2 S3 -","- C26 H35 Cl6 In N2 S3 -","- C52 H70 Cl12 In2 N4 S6 -","2","0.5","","Qin, Ying; Tang, Yali; Pan, Yue Xiao; Chen, Yingnuo; Xiao, Hongping; Zou, Jun","Tailoring the properties of Sb<sup>3+</sup>-doped in-based organic-inorganic hybrid metal halides through A-site cation engineering.","Chemical communications (Cambridge, England)","2025","61","67","12518","12521","10.1039/d5cc03205a","","x-ray","0.71073","MoKα","","0.0258","0.0224","","","0.0474","0.049","","","","","","1.007","","","","has coordinates,has disorder","303582","2025-11-29","17:57:43",""
"1575109","18.6571","0.0008","16.184","0.0007","7.4554","0.0003","90","","91.619","0.002","90","","2250.23","0.16","273.15","","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N2 -","- C31 H20 N2 -","- C124 H80 N8 -","4","1","","Zhang, Li; Ma, Chenglin; Wang, Xin; Zhou, Yannan; Song, Jingru; Sun, Mizhen; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Efficient near-ultraviolet (NUV) electroluminescence based on a benzonitrile acceptor HLCT material with balanced carrier mobilities and high color purity.","Chemical science","2025","16","32","14478","14484","10.1039/d5sc03458b","","","1.54178","CuKα","","0.0684","0.0541","","","0.1379","0.1457","","","","","","1.061","","","","has coordinates","302490","2025-10-06","07:37:25",""
"1575110","8.147","","9.625","","16.714","","97.07","","100.55","","113.8","","1150.29","","273.15","","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H22 N2 -","- C31 H22 N2 -","- C62 H44 N4 -","2","1","","Zhang, Li; Ma, Chenglin; Wang, Xin; Zhou, Yannan; Song, Jingru; Sun, Mizhen; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Efficient near-ultraviolet (NUV) electroluminescence based on a benzonitrile acceptor HLCT material with balanced carrier mobilities and high color purity.","Chemical science","2025","16","32","14478","14484","10.1039/d5sc03458b","","","1.54178","CuKα","","0.1108","0.0799","","","0.2338","0.2713","","","","","","1.032","","","","has coordinates","302490","2025-10-06","07:37:25",""
"1575111","12.6715","0.0006","14.3504","0.0007","14.5469","0.0009","90","","114.102","0.001","90","","2414.6","0.2","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H62 N4 O15 Zn4 -","- C38 H60 N4 O15 Zn4 -","- C76 H120 N8 O30 Zn8 -","2","0.5","","Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik","The interplay between coordination and non-covalent interactions in three zinc coordination polymers","CrystEngComm","2025","27","33","5583","5594","10.1039/D5CE00505A","","","0.71073","MoKα","","0.0526","0.0429","","","0.0929","0.0963","","","","","","1.009","","","","has coordinates","302570","2025-10-06","08:25:49",""
"1575112","9.483","0.003","19.78","0.006","13.087","0.004","90","","108.89","0.01","90","","2322.6","1.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 Br N2 O7 Zn2 -","- C18 H27 Br N2 O7 Zn2 -","- C72 H108 Br4 N8 O28 Zn8 -","4","1","","Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik","The interplay between coordination and non-covalent interactions in three zinc coordination polymers","CrystEngComm","2025","27","33","5583","5594","10.1039/D5CE00505A","","","0.71073","MoKα","","0.0501","0.0378","","","0.0956","0.104","","","","","","1.02","","","","has coordinates,has disorder","302570","2025-10-06","08:25:50",""
"1575113","9.4593","0.0015","19.398","0.003","12.964","0.002","90","","108.532","0.005","90","","2255.4","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 Cl N2 O7 Zn2 -","- C18 H27 Cl N2 O7 Zn2 -","- C72 H108 Cl4 N8 O28 Zn8 -","4","1","","Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik","The interplay between coordination and non-covalent interactions in three zinc coordination polymers","CrystEngComm","2025","27","33","5583","5594","10.1039/D5CE00505A","","","0.71073","MoKα","","0.0786","0.0622","","","0.1706","0.1937","","","","","","1.054","","","","has coordinates,has disorder","302570","2025-10-06","08:25:50",""
"1575114","16.9763","0.0014","18.1646","0.0018","19.483","0.0015","93.121","0.003","98.03","0.002","106.488","0.003","5676.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H147 Al2 Cl3 N6 O14 -","- C99 H147 Al2 Cl3 N6 O14 -","- C198 H294 Al4 Cl6 N12 O28 -","2","1","","Sharma, Vivek; Chetia, Anupam; Majumder, Moumita; Lama, Prem; Sahu, Satyajit; Metre, Ramesh K.","Dinuclear aluminum complex as an active material for RRAM switching devices.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12567","12578","10.1039/d5dt01524c","","","0.71073","MoKα","","0.13","0.0966","","","0.235","0.2693","","","","","","1.013","","","","has coordinates,has disorder","302624","2025-10-06","09:14:45",""
"1575115","16.3522","0.0004","35.9188","0.0006","16.5121","0.0004","90","","116.594","0.003","90","","8672.3","0.4","106","10","106","10","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H99 N10 O3 Si3 -","- C104 H99 N10 O3 Si3 -","- C416 H396 N40 O12 Si12 -","4","1","","Rychikhina, Ekaterina D.; Ivanova, Svetlana S.; Somov, Nikolay V.; Lazovskiy, Dmitry A.; Stuzhin, Pavel A.","Silicon(IV) tetraazachlorin - an unusual cycloaddition product from 3,4-diphenyl-1<i>H</i>-pyrrole-2,5-diimine.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11822","11827","10.1039/d5dt01113b","","","0.71073","MoKα","","0.1236","0.1007","","","0.268","0.2891","","","","","","1.026","","","","has coordinates,has disorder","302629","2025-10-06","09:17:42",""
"1575116","17.203","0.003","22.147","0.003","18.0772","0.0019","90","","114.387","0.01","90","","6272.8","1.6","298","","298","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H42 Cl2 N2 O2 Ru -","- C32 H42 Cl2 N2 O2 Ru -","- C256 H336 Cl16 N16 O16 Ru8 -","8","1","","Padmor, Manohar Shivaji; Pratihar, Sanjay","Near-instantaneous chemoselective transfer hydrogenation of aldehydes with visual endpoint reporting and ultrahigh TOF.","Chemical communications (Cambridge, England)","2025","61","69","12932","12935","10.1039/d5cc03450g","","","0.71073","MoKα","","0.0655","0.0382","","","0.0965","0.1224","","","","","","1.174","","","","has coordinates,has disorder","302433","2025-10-06","07:04:33",""
"1575117","12.2707","0.0004","14.6482","0.0005","17.8518","0.0007","90","","93.439","0.001","90","","3203","0.2","298","2","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 Cl N2 O2 Ru -","- C33 H45 Cl N2 O2 Ru -","- C132 H180 Cl4 N8 O8 Ru4 -","4","1","","Padmor, Manohar Shivaji; Pratihar, Sanjay","Near-instantaneous chemoselective transfer hydrogenation of aldehydes with visual endpoint reporting and ultrahigh TOF.","Chemical communications (Cambridge, England)","2025","61","69","12932","12935","10.1039/d5cc03450g","","","0.71073","MoKα","","0.0689","0.0401","","","0.1022","0.1231","","","","","","1.118","","","","has coordinates","302433","2025-10-06","07:04:43",""
"1575118","6.7738","0.0006","12.9622","0.0014","21.477","0.0019","85.306","0.004","83.425","0.003","77.317","0.002","1824.5","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","2","","Wu, Qile; Chen, Jingyi; Wu, Haoxian; Wang, Shasha; Liang, Jiaxin; Lo, Tsz Woon Benedict; Zhu, Zhongzhi; Chen, Xiuwen","Dearomatization [4+2] cycloaddition for constructing bridged polycyclic lactams.","Chemical communications (Cambridge, England)","2025","61","68","12789","12792","10.1039/d5cc03128a","","","0.71073","MoKα","","0.1176","0.0566","","","0.122","0.1485","","","","","","1.038","","","","has coordinates","302468","2025-10-06","07:17:12",""
"1575119","16.448","0.016","8.875","0.008","11.894","0.011","90","","106.13","0.03","90","","1668","3","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C76 H60 N4 O16 -","4","1","","Wu, Qile; Chen, Jingyi; Wu, Haoxian; Wang, Shasha; Liang, Jiaxin; Lo, Tsz Woon Benedict; Zhu, Zhongzhi; Chen, Xiuwen","Dearomatization [4+2] cycloaddition for constructing bridged polycyclic lactams.","Chemical communications (Cambridge, England)","2025","61","68","12789","12792","10.1039/d5cc03128a","","","0.71073","MoKα","","0.094","0.0477","","","0.1027","0.1254","","","","","","1.03","","","","has coordinates","302468","2025-10-06","07:17:13",""
"1575120","11.5896","0.0004","13.272","0.0005","14.6041","0.0004","102.365","0.003","105.032","0.003","93.29","0.003","2103.93","0.13","100","0.14","100","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C39.5 H46 Co3 N2 O13.5 -","- C39.5 H46 Co3 N2 O13.5 -","- C79 H92 Co6 N4 O27 -","2","1","","James, Charles A.; Swindells, Jessica E.; Ellis, Harry; Arjariya, Richa; Jarvis, Samuel P.; Brookfield, Adam; Fielden, John","Anion controlled selectivity in oxygen reduction catalysed by a dinuclear cobalt N,O-Schiff base complex.","Chemical communications (Cambridge, England)","2025","61","70","13201","13204","10.1039/d5cc02476e","","x-ray","1.54184","CuKα","","0.0917","0.0784","","","0.2135","0.2297","","","","","","1.071","","","","has coordinates,has disorder","302403","2025-10-06","06:52:12",""
"1575121","12.7253","0.0002","13.2722","0.0002","22.5229","0.0004","97.208","0.001","97.696","0.002","108.398","0.002","3519.64","0.11","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C68 H78 B2 Co4 F8 N4 O16 -","- C68 H78 B2 Co4 F8 N4 O16 -","- C136 H156 B4 Co8 F16 N8 O32 -","2","1","","James, Charles A.; Swindells, Jessica E.; Ellis, Harry; Arjariya, Richa; Jarvis, Samuel P.; Brookfield, Adam; Fielden, John","Anion controlled selectivity in oxygen reduction catalysed by a dinuclear cobalt N,O-Schiff base complex.","Chemical communications (Cambridge, England)","2025","61","70","13201","13204","10.1039/d5cc02476e","","","0.71073","MoKα","","0.0681","0.0486","","","0.1282","0.1376","","","","","","1.04","","","","has coordinates,has disorder","302403","2025-10-06","06:52:13",""
"1575122","22.58","0.003","12.2624","0.0016","16.199","0.002","90","","94.048","0.005","90","","4474.1","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H61 Br N2 P2 -","- C48 H45 Br N2 P2 -","- C192 H180 Br4 N8 P8 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0403","0.035","","","0.0966","0.1","","","","","","1.072","","","","has coordinates","302530","2025-10-06","07:50:54",""
"1575123","14.8002","0.0007","19.5276","0.0009","18.1091","0.0008","90","","91.085","0.002","90","","5232.8","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H59 Al As Cl5 N2 P2 -","- C48 H45 Al As Cl5 N2 P2 -","- C192 H180 Al4 As4 Cl20 N8 P8 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0726","0.0587","","","0.1657","0.1732","","","","","","1.061","","","","has coordinates","302530","2025-10-06","07:50:55",""
"1575124","10.682","0.004","18.781","0.009","22.801","0.01","90","","90.795","0.018","90","","4574","3","107","","107","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H51 Cl2 N2 O P2 Sb -","- C51 H51 Cl2 N2 O P2 Sb -","- C204 H204 Cl8 N8 O4 P8 Sb4 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0548","0.041","","","0.077","0.0817","","","","","","1.064","","","","has coordinates","302530","2025-10-06","07:50:56",""
"1575125","11.0961","0.0003","18.1134","0.0004","22.978","0.0006","90","","101.282","0.001","90","","4529.1","0.2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H53 N2 O P2 Sb Se -","- C52 H53 N2 O P2 Sb Se -","- C208 H212 N8 O4 P8 Sb4 Se4 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0231","0.0208","","","0.0506","0.0517","","","","","","1.027","","","","has coordinates","302530","2025-10-06","07:50:56",""
"1575126","11.017","0.005","18.037","0.008","27.534","0.012","90","","90","","90","","5471","4","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H61 Al Cl5 N2 O2 P2 Sb -","- C52 H53 Al Cl5 N2 O P2 Sb -","- C208 H212 Al4 Cl20 N8 O4 P8 Sb4 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0663","0.0527","","","0.0969","0.1021","","","","","","1.031","","","","has coordinates","302530","2025-10-06","07:50:56",""
"1575127","24.7633","0.0006","16.3853","0.0004","26.216","0.0004","90","","90","","90","","10637.2","0.4","100","","100","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C55 H59 Al Cl3 N2 O1.75 P2 Sb -","- C55 H59 Al Cl3 N2 O1.75 P2 Sb -","- C440 H472 Al8 Cl24 N16 O14 P16 Sb8 -","8","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0802","0.0573","","","0.1301","0.1379","","","","","","1.084","","","","has coordinates,has disorder","302530","2025-10-06","07:50:56",""
"1575128","37.562","0.002","13.2376","0.0006","20.6432","0.0011","90","","104.313","0.002","90","","9945.8","0.9","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H68 B N2 O2.5 P2 Sb -","- C48 H48 B N2 P2 Sb -","- C384 H384 B8 N16 P16 Sb8 -","8","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0499","0.0378","","","0.1058","0.1154","","","","","","1.039","","","","has coordinates","302530","2025-10-06","07:50:56",""
"1575129","10.1844","0.0007","15.2867","0.0012","34.707","0.002","90","","97.585","0.002","90","","5356.1","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H69 Bi N2 O3 P2 Te -","- C60 H69 Bi N2 O3 P2 Te -","- C240 H276 Bi4 N8 O12 P8 Te4 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","x-ray","0.71073","MoKα","","0.0393","0.034","","","0.07","0.0716","","","","","","1.133","","","","has coordinates,has disorder","302530","2025-10-06","07:50:56",""
"1575130","12.1739","0.0004","12.6388","0.0005","36.2781","0.0012","88.698","0.001","81.1","0.001","64.73","0.001","4981.1","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H63 Cl Mg N2 O2 P2 -","- C56 H63 Cl Mg N2 O2 P2 -","- C224 H252 Cl4 Mg4 N8 O8 P8 -","4","2","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0621","0.0471","","","0.1215","0.1295","","","","","","1.058","","","","has coordinates,has disorder","302530","2025-10-06","07:50:57",""
"1575131","16.2659","0.0014","19.044","0.0015","16.1671","0.0014","90","","110.717","0.003","90","","4684.2","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48.5 H46 Bi Cl3 N2 P2 -","- C48 H45 Bi Cl2 N2 P2 -","- C192 H180 Bi4 Cl8 N8 P8 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0502","0.0336","","","0.0799","0.0863","","","","","","1.05","","","","has coordinates","302530","2025-10-06","07:50:58",""
"1575132","12.9688","0.0009","18.3595","0.0012","26.9379","0.0016","106.082","0.002","93.732","0.002","105.763","0.002","5862.5","0.7","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C57 H51 As3 Cl6 F3 N2 O P2 -","- C51 H47 As3 Cl6 F N2 O P2 -","- C204 H188 As12 Cl24 F4 N8 O4 P8 -","4","2","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0837","0.0451","","","0.1023","0.115","","","","","","1.022","","","","has coordinates","302530","2025-10-06","07:50:58",""
"1575133","15.7315","0.0007","9.3263","0.0004","21.7128","0.0009","90","","90","","90","","3185.6","0.2","295.27","","295.27","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","1","","Wang, Han; Feng, Jing; Liu, Dan-Ni; Yu, Mingming; Xu, Ze-Feng; Li, Chuan-Ying","Intramolecular nitrogen insertion of oxime ester to access aminated N-heterocycles","Green Chemistry","2025","27","31","9445","9451","10.1039/D5GC02482J","","x-ray","1.54178","CuKα","","0.0685","0.0638","","","0.1833","0.1911","","","","","","1.072","","","","has coordinates","301610","2025-08-05","22:14:01",""
"1575134","12.5897","0.0006","7.6742","0.0003","15.4587","0.0006","90","","103.245","0.004","90","","1453.83","0.11","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N2 S -","- C19 H12 N2 S -","- C76 H48 N8 S4 -","4","1","","Wang, Han; Feng, Jing; Liu, Dan-Ni; Yu, Mingming; Xu, Ze-Feng; Li, Chuan-Ying","Intramolecular nitrogen insertion of oxime ester to access aminated N-heterocycles","Green Chemistry","2025","27","31","9445","9451","10.1039/D5GC02482J","","","1.54178","CuKα","","0.0606","0.052","","","0.1506","0.1603","","","","","","1.042","","","","has coordinates","301610","2025-08-05","22:14:01",""
"1575135","21.3069","0.0005","21.3069","0.0005","42.148","0.002","90","","90","","90","","19134.5","1.1","295","2","295","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C24 H48 Br4 Cs2 Ni O12 -","- C24 H48 Br4 Cs2 Ni O12 -","- C384 H768 Br64 Cs32 Ni16 O192 -","16","1","","Wang, Han; Feng, Jing; Liu, Dan-Ni; Yu, Mingming; Xu, Ze-Feng; Li, Chuan-Ying","Intramolecular nitrogen insertion of oxime ester to access aminated N-heterocycles","Green Chemistry","2025","27","31","9445","9451","10.1039/D5GC02482J","","","0.71073","MoKα","","0.0925","0.0447","","","0.0813","0.0915","","","","","","0.982","","","","has coordinates","301610","2025-08-05","22:14:01",""
"1575136","14.194","0.002","14.474","0.002","14.986","0.002","97.877","0.004","112.526","0.004","97.863","0.004","2756.1","0.7","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C114 H114 Cu14 O12 -","- C114 H114 Cu14 O12 -","- C114 H114 Cu14 O12 -","1","0.5","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","<i>Tert</i>-butylacetylene copper cluster-based metal-organic frameworks exhibit hydrophobic properties.","Chemical communications (Cambridge, England)","2025","61","68","12781","12784","10.1039/d5cc01663k","","","0.71073","MoKα","","0.2156","0.0822","","","0.1554","0.1997","","","","","","0.961","","","","has coordinates,has disorder","302470","2025-10-06","07:18:09",""
"1575137","24.9424","0.0015","24.9424","0.0015","19.3098","0.0011","90","","90","","120","","10403.6","1.1","300","2","300.1","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C36 H42 Cu7 O6 -","- C35.9995 H41.9991 Cu7 O6 -","- C215.997 H251.995 Cu42 O36 -","6","0.333333","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","<i>Tert</i>-butylacetylene copper cluster-based metal-organic frameworks exhibit hydrophobic properties.","Chemical communications (Cambridge, England)","2025","61","68","12781","12784","10.1039/d5cc01663k","","","0.71073","MoKα","","0.1353","0.0795","","","0.2297","0.2657","","","","","","1.083","","","","has coordinates,has disorder","302470","2025-10-06","07:18:10",""
"1575138","20.018","0.006","20.018","0.006","32.569","0.01","90","","90","","90","","13051","7","273.15","","273.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C51 H51 Cu7 O6 -","- C51 H51 Cu7 O6 -","- C408 H408 Cu56 O48 -","8","1","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","<i>Tert</i>-butylacetylene copper cluster-based metal-organic frameworks exhibit hydrophobic properties.","Chemical communications (Cambridge, England)","2025","61","68","12781","12784","10.1039/d5cc01663k","","","0.71073","MoKα","","0.1396","0.1022","","","0.2904","0.3318","","","","","","1.064","","","","has coordinates,has disorder","302470","2025-10-06","07:18:10",""
"1575139","30.82","0.005","44.212","0.007","38.539","0.009","90","","101.634","0.008","90","","51435","17","273.15","","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C153 H153 Cu21 O18 -","- C153 H153 Cu21 O18 -","- C1224 H1224 Cu168 O144 -","8","1","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","<i>Tert</i>-butylacetylene copper cluster-based metal-organic frameworks exhibit hydrophobic properties.","Chemical communications (Cambridge, England)","2025","61","68","12781","12784","10.1039/d5cc01663k","","","0.71073","MoKα","","0.4356","0.1414","","","0.3617","0.498","","","","","","0.963","","","","has coordinates","302470","2025-10-06","07:18:10",""
"1575140","26.729","0.003","26.729","0.003","26.729","0.003","90","","90","","90","","19096","4","273.15","","273.15","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C45 H48 Cu7 N O6 -","- C44.9995 H47.9991 Cu7 N O6 -","- C359.996 H383.993 Cu56 N8 O48 -","8","0.333333","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","<i>Tert</i>-butylacetylene copper cluster-based metal-organic frameworks exhibit hydrophobic properties.","Chemical communications (Cambridge, England)","2025","61","68","12781","12784","10.1039/d5cc01663k","","","0.71073","MoKα","","0.1035","0.0804","","","0.2882","0.3341","","","","","","1.017","","","","has coordinates,has disorder","302470","2025-10-06","07:18:10",""
"1575141","18.7562","0.001","10.3796","0.0006","34.981","0.002","90","","90","","90","","6810.2","0.7","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 O5 P2 Pd -","- C40 H38 O5 P2 Pd -","- C320 H304 O40 P16 Pd8 -","8","2","","Bouley, Bailey S.; Bae, Dae Young; Chakrabarti, Sagnik; Rosen, Mari; Kennedy, Robert D.; Mirica, Liviu M.","Insights into the mechanism of active catalyst generation for the Pd<sup>II</sup>(acac)<sub>2</sub>/PPh<sub>3</sub> system in the context of telomerization of 1,3-butadiene.","Chemical science","2025","16","34","15486","15498","10.1039/d5sc02171e","","","0.71073","MoKα","","0.1138","0.073","","","0.1588","0.1866","","","","","","1.042","","","","has coordinates","302549","2025-10-06","08:01:03",""
"1575142","10.9495","0.0004","15.9935","0.0006","16.2962","0.0006","90","","99.235","0.001","90","","2816.81","0.18","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 O6 P Pd -","- C30 H33 O6 P Pd -","- C120 H132 O24 P4 Pd4 -","4","1","","Bouley, Bailey S.; Bae, Dae Young; Chakrabarti, Sagnik; Rosen, Mari; Kennedy, Robert D.; Mirica, Liviu M.","Insights into the mechanism of active catalyst generation for the Pd<sup>II</sup>(acac)<sub>2</sub>/PPh<sub>3</sub> system in the context of telomerization of 1,3-butadiene.","Chemical science","2025","16","34","15486","15498","10.1039/d5sc02171e","","","0.71073","MoKα","","0.0483","0.0333","","","0.06","0.0664","","","","","","1.053","","","","has coordinates","302549","2025-10-06","08:01:04",""
"1575143","13.697","0.0003","9.2164","0.0002","18.8878","0.0004","90","","106.9","","90","","2281.37","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 O4 P Pd -","- C25 H25 O4 P Pd -","- C100 H100 O16 P4 Pd4 -","4","1","","Bouley, Bailey S.; Bae, Dae Young; Chakrabarti, Sagnik; Rosen, Mari; Kennedy, Robert D.; Mirica, Liviu M.","Insights into the mechanism of active catalyst generation for the Pd<sup>II</sup>(acac)<sub>2</sub>/PPh<sub>3</sub> system in the context of telomerization of 1,3-butadiene.","Chemical science","2025","16","34","15486","15498","10.1039/d5sc02171e","","","0.71073","MoKα","","0.0175","0.0166","","","0.0405","0.041","","","","","","1.068","","","","has coordinates","302549","2025-10-06","08:01:04",""
"1575144","7.281","0.0015","14.499","0.003","15.355","0.003","104.6","0.03","99.89","0.03","90.32","0.03","1543.3","0.6","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C55 H61 Fe2 N24 O9 Pd2 -","2","1","","Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng","Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.","Chemical science","2025","16","34","15555","15563","10.1039/d5sc01202c","","","0.71073","MoKα","","0.0811","0.0745","","","0.2042","0.2148","","","","","","1.029","","","","has coordinates","302551","2025-10-06","08:01:31",""
"1575145","7.26","0.0015","14.476","0.003","15.344","0.003","104.57","0.03","99.87","0.03","90.32","0.03","1535.6","0.6","85","","85","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C55 H61 Fe2 N24 O9 Pd2 -","2","1","","Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng","Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.","Chemical science","2025","16","34","15555","15563","10.1039/d5sc01202c","","","0.71073","MoKα","","0.1558","0.1307","","","0.3327","0.3547","","","","","","1.37","","","","has coordinates","302551","2025-10-06","08:01:31",""
"1575146","7.278","0.0015","14.5","0.003","15.347","0.003","104.59","0.03","99.88","0.03","90.32","0.03","1542.1","0.6","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C55 H61 Fe2 N24 O9 Pd2 -","2","1","","Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng","Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.","Chemical science","2025","16","34","15555","15563","10.1039/d5sc01202c","","","0.71073","MoKα","","0.0826","0.0761","","","0.2091","0.2183","","","","","","1.033","","","","has coordinates,has disorder","302551","2025-10-06","08:01:31",""
"1575147","7.277","0.0015","14.509","0.003","15.381","0.003","104.67","0.03","99.99","0.03","90.32","0.03","1545.1","0.6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C55 H61 Fe2 N24 O9 Pd2 -","2","1","","Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng","Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.","Chemical science","2025","16","34","15555","15563","10.1039/d5sc01202c","","","0.71073","MoKα","","0.0748","0.0699","","","0.194","0.2012","","","","","","1.038","","","","has coordinates","302551","2025-10-06","08:01:31",""
"1575148","7.288","0.0015","14.504","0.003","15.422","0.003","104.7","0.03","100.07","0.03","90.33","0.03","1550.4","0.6","190","","190","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C55 H61 Fe2 N24 O9 Pd2 -","2","1","","Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng","Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.","Chemical science","2025","16","34","15555","15563","10.1039/d5sc01202c","","","0.71073","MoKα","","0.0744","0.0692","","","0.1884","0.1962","","","","","","1.034","","","","has coordinates","302551","2025-10-06","08:01:31",""
"1575149","7.457","0.0015","14.711","0.003","15.442","0.003","104.49","0.03","99.92","0.03","90.28","0.03","1613.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C55 H61 Fe2 N24 O9 Pd2 -","2","1","","Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng","Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.","Chemical science","2025","16","34","15555","15563","10.1039/d5sc01202c","","","0.71073","MoKα","","0.0739","0.0675","","","0.1885","0.1997","","","","","","1.07","","","","has coordinates","302551","2025-10-06","08:01:31",""
"1575150","8.071","0.002","16.12","0.004","26.964","0.008","90","","90","","90","","3508.1","1.6","143","2","143","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C7.5 H8 Cu0.25 F1.5 N1.25 O2 P0 S0.5 -","- C7.5 H8 Cu0.25 F1.5 N1.25 O2 S0.5 -","- C120 H128 Cu4 F24 N20 O32 S8 -","16","1","","Zhang, Yuzhe; Higashino, Tomohiro; Namikawa, Keigo; Osterloh, W. Ryan; Imahori, Hiroshi","Molecular engineering of porphyrin dyes and copper complexes for enhanced dye regeneration toward high-performance dye-sensitized solar cells using copper(i/ii) redox shuttles.","Chemical science","2025","16","33","15004","15014","10.1039/d5sc03537f","","","0.71075","MoKα","","0.0597","0.0556","","","0.2083","0.2108","","","","","","1.056","","","","has coordinates,has disorder","302503","2025-10-06","07:41:22",""
"1575151","9.7349","0.0008","11.1899","0.001","15.3441","0.0012","73.793","0.008","74.976","0.007","88.82","0.007","1547.8","0.2","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 Cu F6 N4 O4 P -","- C28 H32 Cu F6 N4 O4 P -","- C56 H64 Cu2 F12 N8 O8 P2 -","2","1","","Zhang, Yuzhe; Higashino, Tomohiro; Namikawa, Keigo; Osterloh, W. Ryan; Imahori, Hiroshi","Molecular engineering of porphyrin dyes and copper complexes for enhanced dye regeneration toward high-performance dye-sensitized solar cells using copper(i/ii) redox shuttles.","Chemical science","2025","16","33","15004","15014","10.1039/d5sc03537f","","","0.71073","MoKα","","0.1736","0.1232","","","0.3634","0.3925","","","","","","1.093","","","","has coordinates,has disorder","302503","2025-10-06","07:41:22",""
"1575152","14.6532","0.0004","11.4428","0.0003","16.8771","0.0005","90","","95.086","0.003","90","","2818.7","0.14","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 B Cu F4 N4 O4 -","- C28 H32 B Cu F4 N4 O4 -","- C112 H128 B4 Cu4 F16 N16 O16 -","4","1","","Zhang, Yuzhe; Higashino, Tomohiro; Namikawa, Keigo; Osterloh, W. Ryan; Imahori, Hiroshi","Molecular engineering of porphyrin dyes and copper complexes for enhanced dye regeneration toward high-performance dye-sensitized solar cells using copper(i/ii) redox shuttles.","Chemical science","2025","16","33","15004","15014","10.1039/d5sc03537f","","","0.71073","MoKα","","0.0551","0.0453","","","0.1053","0.1104","","","","","","1.065","","","","has coordinates","302503","2025-10-06","07:41:22",""
"1575153","18.3443","0.0004","8.22852","0.00016","13.382","0.0003","90","","90.251","0.002","90","","2019.95","0.07","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H33 Ir Mo N3 -","- C16 H33 Ir Mo N3 -","- C64 H132 Ir4 Mo4 N12 -","4","1","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","0.71073","MoKα","","0.0646","0.0495","","","0.1114","0.1181","","","","","","1.06","","","","has coordinates,has disorder","302493","2025-10-06","07:38:03",""
"1575154","10.3728","0.0002","11.1282","0.0002","11.9391","0.0002","86.479","0.001","80.478","0.001","80.646","0.001","1340.23","0.04","100.1","0.4","100.1","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 Ir2 Mo N2 -","- C24 H42 Ir2 Mo N2 -","- C48 H84 Ir4 Mo2 N4 -","2","1","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","0.71073","MoKα","","0.0445","0.0409","","","0.1095","0.1113","","","","","","1.029","","","","has coordinates","302493","2025-10-06","07:38:04",""
"1575155","10.4733","0.0002","14.127","0.0003","15.97","0.0003","90","","104.7","0.002","90","","2285.52","0.08","100.02","0.16","100.02","0.16","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H33 Ir Mo N3 O -","- C19 H33 Ir Mo N3 O -","- C76 H132 Ir4 Mo4 N12 O4 -","4","1","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","0.71073","MoKα","","0.0442","0.0337","","","0.0828","0.088","","","","","","1.038","","","","has coordinates","302493","2025-10-06","07:38:04",""
"1575156","10.568","0.0002","14.3581","0.0002","17.6451","0.0002","100.148","0.001","101.617","0.001","98.071","0.001","2538.22","0.07","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C21 H42 Ir Mo N4 O -","- C21 H42 Ir Mo N4 O -","- C84 H168 Ir4 Mo4 N16 O4 -","4","2","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","0.71073","MoKα","","0.0293","0.0265","","","0.0626","0.0635","","","","","","1.029","","","","has coordinates,has disorder","302493","2025-10-06","07:38:04",""
"1575157","9.9756","0.0003","11.6881","0.0003","15.1321","0.0004","90","","90","","90","","1764.34","0.08","100","0.3","100","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H16 N2 O -","- C7 H16 N2 O -","- C56 H128 N16 O8 -","8","1","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","1.54184","CuKα","","0.0522","0.0418","","","0.103","0.1086","","","","","","1.081","","","","has coordinates","302493","2025-10-06","07:38:04",""
"1575158","10.9967","0.0002","10.9728","0.0002","12.1515","0.0002","90","","90.354","0.002","90","","1466.23","0.04","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C26 H42 Ir2 Mo N2 O4 -","- C26 H42 Ir2 Mo N2 O4 -","- C52 H84 Ir4 Mo2 N4 O8 -","2","0.5","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","0.71073","MoKα","","0.0448","0.0352","","","0.0638","0.0668","","","","","","1.028","","","","has coordinates,has disorder","302493","2025-10-06","07:38:04",""
"1575159","10.3416","0.0002","18.4312","0.0004","14.9177","0.0003","90","","104.443","0.002","90","","2753.57","0.1","100","0.4","100","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 Ir Mo N4 O2 -","- C24 H45 Ir Mo N4 O2 -","- C96 H180 Ir4 Mo4 N16 O8 -","4","1","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","0.71073","MoKα","","0.0617","0.052","","","0.0988","0.101","","","","","","1.253","","","","has coordinates","302493","2025-10-06","07:38:04",""
"1575160","5.8212","0.0002","14.194","0.0004","14.7214","0.0005","69.915","0.003","81.048","0.002","86.989","0.002","1128.48","0.07","149.97","0.1","149.97","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Br N O -","- C28 H22 Br N O -","- C56 H44 Br2 N2 O2 -","2","1","","Liu, Tu-Ming; Zhu, Lin-Yuan; Qi, Min-Hao; Li, Si-Jia; Wang, Xiao-Jian; Xu, Jia-Rui; Han, Bing","Photosensitized diradical rearrangement of alkenyl oxime ethers towards amino-featured oxiranes: reaction, mechanism, and structural prediction.","Chemical science","2025","16","32","14811","14821","10.1039/d5sc03379a","","x-ray","1.54184","CuKα","","0.0492","0.0433","","","0.1222","0.1255","","","","","","1.029","","","","has coordinates","302491","2025-10-06","07:37:33",""
"1575161","6.6576","0.0002","18.5752","0.0005","9.4128","0.0002","90","","100.585","0.001","90","","1144.24","0.05","301","","301","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N3 O12 -","- C7 H7 N3 O12 -","- C28 H28 N12 O48 -","4","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.0451","0.0337","","","0.0848","0.0979","","","","","","1.0715","","","","has coordinates","302548","2025-10-06","08:00:45",""
"1575162","8.73","0.007","8.696","0.007","15.978","0.013","90","","101.351","0.009","90","","1189.3","1.7","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N3 O12 -","- C7 H7 N3 O12 -","- C28 H28 N12 O48 -","4","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.0411","0.0352","","","0.0903","0.0946","","","","","","1.05","","","","has coordinates","302548","2025-10-06","08:00:46",""
"1575163","6.0238","0.0003","8.8265","0.0004","12.058","0.0007","69.746","0.002","89.688","0.002","72.481","0.002","570.07","0.05","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H7 N3 O12 -","- C7 H7 N3 O12 -","- C14 H14 N6 O24 -","2","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.0374","0.0345","","","0.09","0.0927","","","","","","1.034","","","","has coordinates","302548","2025-10-06","08:00:46",""
"1575164","15.062","0.005","5.9269","0.0016","14.178","0.004","90","","113.806","0.01","90","","1158","0.6","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N3 O12 -","- C7 H7 N3 O12 -","- C28 H28 N12 O48 -","4","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.1008","0.0594","","","0.1104","0.1294","","","","","","1.103","","","","has coordinates","302548","2025-10-06","08:00:46",""
"1575165","8.3535","0.0004","9.1128","0.0005","15.6114","0.0008","90","","90","","90","","1188.4","0.11","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 N4 O13 -","- C7 H6 N4 O13 -","- C28 H24 N16 O52 -","4","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.0312","0.0267","","","0.0655","0.0668","","","","","","1.059","","","","has coordinates","302548","2025-10-06","08:00:46",""
"1575166","7.1632","0.0009","12.3721","0.0013","13.9868","0.0018","90","","92.234","0.005","90","","1238.6","0.3","294.8","","294.8","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N4 O13 -","- C7 H6 N4 O13 -","- C28 H24 N16 O52 -","4","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.0491","0.0381","","","0.0906","0.0981","","","","","","1.04","","","","has coordinates","302548","2025-10-06","08:00:46",""
"1575167","8.5994","0.0004","7.2097","0.0003","20.1577","0.0009","90","","92.167","0.001","90","","1248.87","0.1","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N4 O13 -","- C7 H6 N4 O13 -","- C28 H24 N16 O52 -","4","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.0628","0.0408","","","0.0879","0.0982","","","","","","1.062","","","","has coordinates","302548","2025-10-06","08:00:46",""
"1575168","6.4181","0.0001","14.161","0.0003","13.2275","0.0003","90","","101.423","0.002","90","","1178.39","0.04","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","","Yu, Xuanchi; Zhang, Chenyu; Dong, Dongfang; Liu, Bing; Wang, Dali; Li, Tao","Visible-light-responsive indoleazopyrazole photoswitches: dual enhancement of redshift and half-life by ester modification at the <i>ortho</i> position.","Chemical science","2025","16","34","15620","15627","10.1039/d5sc03275j","","","1.54184","CuKα","","0.049","0.0436","","","0.1249","0.1286","","","","","","1.091","","","","has coordinates","302542","2025-10-06","07:58:16",""
"1575169","5.6017","0.0001","8.7826","0.0002","23.5685","0.0005","90","","90","","90","","1159.51","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","","Yu, Xuanchi; Zhang, Chenyu; Dong, Dongfang; Liu, Bing; Wang, Dali; Li, Tao","Visible-light-responsive indoleazopyrazole photoswitches: dual enhancement of redshift and half-life by ester modification at the <i>ortho</i> position.","Chemical science","2025","16","34","15620","15627","10.1039/d5sc03275j","","","1.54184","CuKα","","0.0407","0.0379","","","0.1021","0.1039","","","","","","1.071","","","","has coordinates","302542","2025-10-06","07:58:16",""
"1575170","7.0795","0.0001","13.8474","0.0003","12.6001","0.0003","90","","101.205","0.002","90","","1211.68","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","2","","Yu, Xuanchi; Zhang, Chenyu; Dong, Dongfang; Liu, Bing; Wang, Dali; Li, Tao","Visible-light-responsive indoleazopyrazole photoswitches: dual enhancement of redshift and half-life by ester modification at the <i>ortho</i> position.","Chemical science","2025","16","34","15620","15627","10.1039/d5sc03275j","","","1.54184","CuKα","","0.0458","0.0423","","","0.1002","0.1025","","","","","","0.859","","","","has coordinates","302542","2025-10-06","07:58:16",""
"1575171","6.3008","0.0001","7.7125","0.0002","15.2437","0.0003","88.117","0.002","80.529","0.002","83.044","0.002","725.23","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N5 O2 -","- C15 H15 N5 O2 -","- C30 H30 N10 O4 -","2","1","","Yu, Xuanchi; Zhang, Chenyu; Dong, Dongfang; Liu, Bing; Wang, Dali; Li, Tao","Visible-light-responsive indoleazopyrazole photoswitches: dual enhancement of redshift and half-life by ester modification at the <i>ortho</i> position.","Chemical science","2025","16","34","15620","15627","10.1039/d5sc03275j","","","1.54184","CuKα","","0.033","0.0321","","","0.0844","0.0852","","","","","","1.044","","","","has coordinates","302542","2025-10-06","07:58:16",""
"1575172","8.1945","0.0002","16.3667","0.0003","10.3703","0.0002","90","","92.658","0.002","90","","1389.34","0.05","122.99","0.1","122.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-methyl-N,N-diphenylpyridin-4-amine","","- C18 H16 N2 -","- C18 H16 N2 -","- C72 H64 N8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0493","0.0445","","","0.1175","0.1218","","","","","","1.077","","","","has coordinates","302546","2025-10-06","07:59:38",""
"1575173","9.977","0.0001","8.3959","0.0001","13.3658","0.0002","90","","92.807","0.001","90","","1118.25","0.02","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3,5-dimethylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C12 H9 F4 N O2 -","- C12 H9 F4 N O2 -","- C48 H36 F16 N4 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0539","0.0528","","","0.1482","0.1492","","","","","","1.057","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575174","15.31","0.18","7.35","0.08","17.3","0.09","90","","98.5","0.2","90","","1925","3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-(diphenylamino)-3-methylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C23 H16 F4 N2 O2 -","- C23 H16 F4 N2 O2 -","- C92 H64 F16 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","","0.0251","","","0.1763","0.1372","","","0.2986","0.3134","","","","","","1.199","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575175","15.5","0.2","7.4","0.13","17.33","0.11","90","","97.8","0.3","90","","1969","4","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-(diphenylamino)-3-methylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C23 H16 F4 N2 O2 -","- C23 H16 F4 N2 O2 -","- C92 H64 F16 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","","0.0251","","","0.1832","0.1347","","","0.3165","0.3409","","","","","","1.089","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575176","11.0644","0.0002","15.0753","0.0004","16.1709","0.0004","89.004","0.002","81.638","0.002","89.699","0.002","2668.2","0.11","292.45","0.1","292.45","0.1","","","","","","","","5","P -1","-P 1","2","","2-(4-(9H-carbazol-9-yl)pyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C66 H36 F12 N6 O6 -","- C66 H36 F12 N6 O6 -","- C132 H72 F24 N12 O12 -","2","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0632","0.0488","","","0.1269","0.135","","","","","","1.065","","","","has coordinates,has disorder","302546","2025-10-06","07:59:39",""
"1575177","10.8897","0.0002","15.0104","0.0002","16.1121","0.0002","89.101","0.001","81.495","0.001","88.995","0.001","2604.07","0.07","122.99","0.1","122.99","0.1","","","","","","","","5","P -1","-P 1","2","","2-(4-(9H-carbazol-9-yl)pyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C66 H36 F12 N6 O6 -","- C66 H36 F12 N6 O6 -","- C132 H72 F24 N12 O12 -","2","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.057","0.0494","","","0.1122","0.1168","","","","","","1.032","","","","has coordinates,has disorder","302546","2025-10-06","07:59:39",""
"1575178","15.3845","0.0004","7.331","0.00015","17.2664","0.0003","90","","97.766","0.002","90","","1929.51","0.07","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-(diphenylamino)-3-methylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C23 H16 F4 N2 O2 -","- C23 H16 F4 N2 O2 -","- C92 H64 F16 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0633","0.0525","","","0.1384","0.1502","","","","","","1.113","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575179","11.3122","0.0002","10.4156","0.0001","18.078","0.0002","90","","99.131","0.001","90","","2103.02","0.05","123","0.1","123","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(diphenylamino)-2,6-dimethylpyridin-1-ium 2,4,4,5,5-pentafluoro-3-oxocyclopent-1-en-1-olate","","- C24 H19 F5 N2 O2 -","- C24 H19 F5 N2 O2 -","- C96 H76 F20 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0361","0.0337","","","0.0837","0.0855","","","","","","1.039","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575180","15.1449","0.0002","7.3085","0.0001","17.1746","0.0002","90","","98.376","0.001","90","","1880.72","0.04","122.99","0.1","122.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-(diphenylamino)-3-methylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C23 H16 F4 N2 O2 -","- C23 H16 F4 N2 O2 -","- C92 H64 F16 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0419","0.0393","","","0.0945","0.0965","","","","","","1.069","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575181","11.7285","0.0003","17.8213","0.0004","10.0082","0.0002","90","","95.225","0.002","90","","2083.19","0.08","292.36","0.1","292.36","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-(diphenylamino)-3,5-dimethylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C24 H18 F4 N2 O2 -","- C24 H18 F4 N2 O2 -","- C96 H72 F16 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0486","0.0406","","","0.1123","0.1197","","","","","","1.053","","","","has coordinates,has disorder","302546","2025-10-06","07:59:39",""
"1575182","8.5533","0.00004","12.55218","0.00007","23.37782","0.00014","90","","90","","90","","2509.9","0.02","123","0.1","123","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-(pyridin-4-yl)-9H-carbazole","","- C17 H12 N2 -","- C17 H12 N2 -","- C136 H96 N16 -","8","2","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0297","0.0291","","","0.0729","0.0734","","","","","","1.073","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575183","11.6008","0.0001","17.7066","0.0002","9.8638","0.0001","90","","95.439","0.001","90","","2017.01","0.04","123.03","0.1","123.03","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-(diphenylamino)-3,5-dimethylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C24 H18 F4 N2 O2 -","- C24 H18 F4 N2 O2 -","- C96 H72 F16 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0525","0.0468","","","0.1255","0.13","","","","","","1.035","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575184","8.0182","0.0002","17.9791","0.0005","10.2551","0.0002","90","","93.387","0.002","90","","1475.79","0.06","123","0.1","123","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-dimethyl-N,N-diphenylpyridin-4-amine","","- C19 H18 N2 -","- C19 H18 N2 -","- C76 H72 N8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.047","0.0414","","","0.1075","0.1128","","","","","","1.066","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575185","9.1685","0.0002","9.4713","0.0002","19.6236","0.0004","87.73","0.002","85.797","0.002","62.356","0.002","1505.45","0.06","123","0.1","123","0.1","","","","","","","","3","P -1","-P 1","2","","3,5-dimethyl-N,N-diphenylpyridin-4-amine","","- C19 H18 N2 -","- C19 H18 N2 -","- C76 H72 N8 -","4","2","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0443","0.0395","","","0.0995","0.1015","","","","","","1.126","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575186","49.038","0.007","49.038","0.007","16.641","0.003","90","","90","","120","","34656","9","293","2","293","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C108 H80 O32 Zr6 -","- C108 H80 O32 Zr6 -","- C324 H240 O96 Zr18 -","3","0.125","","Liu, Yi-Fan; He, Huihui; Gao, Lei; Liang, Rong-Ran; Li, Ji; Huang, Jinyi; Yin, Ya; Meng, Yuxuan; Zhong, Yuxiu; Luo, Rengan; Zhang, Liang-Liang; Zhou, Hong-Cai; Yuan, Shuai","Chemical and mechanical modifications of flexible metal-organic frameworks for enhancing photocatalysis.","Chemical science","2025","16","33","14995","15003","10.1039/d5sc02797g","","","0.71073","MoKα","","0.1707","0.1138","","","0.2915","0.3556","","","","","","1.061","","","","has coordinates,has disorder","302498","2025-10-06","07:39:48",""
"1575187","50.076","0.005","50.076","0.005","15.169","0.003","90","","90","","120","","32942","8","293","2","293","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C324 H192 O96 Zr18 -","3","0.125","","Liu, Yi-Fan; He, Huihui; Gao, Lei; Liang, Rong-Ran; Li, Ji; Huang, Jinyi; Yin, Ya; Meng, Yuxuan; Zhong, Yuxiu; Luo, Rengan; Zhang, Liang-Liang; Zhou, Hong-Cai; Yuan, Shuai","Chemical and mechanical modifications of flexible metal-organic frameworks for enhancing photocatalysis.","Chemical science","2025","16","33","14995","15003","10.1039/d5sc02797g","","","0.71073","MoKα","","0.1087","0.0799","","","0.1938","0.2091","","","","","","1.043","","","","has coordinates,has disorder","302498","2025-10-06","07:39:48",""
"1575188","50.274","0.004","50.274","0.004","15.6837","0.0011","90","","90","","120","","34329","5","296","2","296.15","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C108 H76 O32 Zr6 -","- C108 H76 O32 Zr6 -","- C324 H228 O96 Zr18 -","3","0.125","","Liu, Yi-Fan; He, Huihui; Gao, Lei; Liang, Rong-Ran; Li, Ji; Huang, Jinyi; Yin, Ya; Meng, Yuxuan; Zhong, Yuxiu; Luo, Rengan; Zhang, Liang-Liang; Zhou, Hong-Cai; Yuan, Shuai","Chemical and mechanical modifications of flexible metal-organic frameworks for enhancing photocatalysis.","Chemical science","2025","16","33","14995","15003","10.1039/d5sc02797g","","","0.71073","MoKα","","0.1228","0.0617","","","0.1513","0.1797","","","","","","0.947","","","","has coordinates,has disorder","302498","2025-10-06","07:39:48",""
"1575189","50.711","0.004","50.711","0.004","15.1298","0.0011","90","","90","","120","","33695","4","193","2","193","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C108 H80 O32 Zr6 -","- C108 H80 O32 Zr6 -","- C324 H240 O96 Zr18 -","3","0.125","","Liu, Yi-Fan; He, Huihui; Gao, Lei; Liang, Rong-Ran; Li, Ji; Huang, Jinyi; Yin, Ya; Meng, Yuxuan; Zhong, Yuxiu; Luo, Rengan; Zhang, Liang-Liang; Zhou, Hong-Cai; Yuan, Shuai","Chemical and mechanical modifications of flexible metal-organic frameworks for enhancing photocatalysis.","Chemical science","2025","16","33","14995","15003","10.1039/d5sc02797g","","","0.71073","MoKα","","0.1841","0.1447","","","0.2524","0.266","","","","","","1.097","","","","has coordinates,has disorder","302498","2025-10-06","07:39:48",""
"1575190","41.8161","0.0005","10.3669","0.0001","24.5777","0.0003","90","","125.549","0.001","90","","8668.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ca-NDI@An","","","- C89 H71.67 Ca4 N9 O29.48 -","- C89 H71.676 Ca4 N9 O29.48 -","- C356 H286.704 Ca16 N36 O117.92 -","4","0.5","","Huang, Zhi; Wei, Jianwei; Wang, Xiang-Yu; Xu, Shaojie; Huang, Ling; Zeng, Le","Wavelength-dependent tri-state photoswitching in crystals <i>via</i> synergistic dimer confinement and charge-transfer stacking.","Materials horizons","2025","12","21","9079","9086","10.1039/d5mh01024a","","","1.54178","CuKα","","0.0844","0.0787","","","0.2293","0.2374","","","","","","1.045","","","","has coordinates,has disorder","303975","2025-11-29","22:23:33",""
"1575191","28.4224","0.0001","28.4224","0.0001","13.716","0.0001","90","","90","","90","","11080.2","0.1","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","Sr-NDI@An","","","- C56 H48 N6 O16 Sr2 -","- C56 H48 N6 O16 Sr2 -","- C448 H384 N48 O128 Sr16 -","8","0.5","","Huang, Zhi; Wei, Jianwei; Wang, Xiang-Yu; Xu, Shaojie; Huang, Ling; Zeng, Le","Wavelength-dependent tri-state photoswitching in crystals <i>via</i> synergistic dimer confinement and charge-transfer stacking.","Materials horizons","2025","12","21","9079","9086","10.1039/d5mh01024a","","","1.54178","CuKα","","0.0672","0.0665","","","0.191","0.1919","","","","","","1.083","","","","has coordinates,has disorder","303975","2025-11-29","22:23:34",""
"1575192","19.2091","0.0006","8.9415","0.0003","8.2849","0.0002","90","","94.122","0.001","90","","1419.32","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 I4 N2 Pb -","- C24 H24 I4 N2 Pb -","- C48 H48 I8 N4 Pb2 -","2","0.5","","Zugasti-Fernández, Dulce; Román-Román, Priscila I; Gutierrez-Avila, Mara; Gómora-Figueroa, A Paulina; Hernández-Cordero, Juan; Jancik, Vojtech; Hernández-Como, Norberto; Solis-Ibarra, Diego","Air-processed, ultraresponsive NIR photodetectors using 2D perovskite hybrids.","Chemical science","2025","16","34","15597","15601","10.1039/d5sc02348c","","","0.71073","MoKα","","0.0133","0.0131","","","0.0302","0.0303","","","","","","1.206","","","","has coordinates","302545","2025-10-06","07:59:12",""
"1575193","8.481","0.0003","11.5996","0.0002","11.9086","0.0003","111.195","0.002","96.371","0.002","107.702","0.002","1007.86","0.05","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 O6 S3 -","- C24 H12 O6 S3 -","- C48 H24 O12 S6 -","2","1","","Cui, Hao; Chen, Xiang; She, Xiong; Su, Wen-Xin; Chen, Shi-Chao; Zhang, Xiao","A pair of strongly reductive and oxidative photocatalysts for the general upcycling of biomass derivatives and plastic wastes.","Chemical science","2025","16","35","16070","16080","10.1039/d5sc03457d","","","1.54184","CuKα","","0.0395","0.037","","","0.101","0.1034","","","","","","1.081","","","","has coordinates","302529","2025-10-06","07:50:16",""
"1575194","14.4269","0.0008","18.7578","0.001","10.6226","0.0005","90","","108.077","0.006","90","","2732.8","0.3","299.79","0.1","299.79","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N O8 S3 -","- C29 H21 N O8 S3 -","- C116 H84 N4 O32 S12 -","4","1","","Cui, Hao; Chen, Xiang; She, Xiong; Su, Wen-Xin; Chen, Shi-Chao; Zhang, Xiao","A pair of strongly reductive and oxidative photocatalysts for the general upcycling of biomass derivatives and plastic wastes.","Chemical science","2025","16","35","16070","16080","10.1039/d5sc03457d","","x-ray","1.54184","CuKα","","0.1046","0.0779","","","0.1993","0.2163","","","","","","1.078","","","","has coordinates","302529","2025-10-06","07:50:16",""
"1575195","9.61","0.003","10.687","0.004","20.153","0.007","90","","90","","90","","2069.8","1.2","296","2","296","2","","","","","","","","6","I m m m","-I 2 2","71","","","","- C72 H100 Cu4 I0 N4 O24 -","- C72 H100 Cu4 N4 O24 -","- C72 H100 Cu4 N4 O24 -","1","0.0625","","Xiao, Zongjing; Li, Pengfei; Sun, Beibei; Bao, Xinrui; Gan, Lei; Yang, Huajun","Water-mediated synthesis of hydrogen-bonded metal-organic frameworks.","Chemical science","2025","16","33","14919","14923","10.1039/d5sc02337h","","","0.71073","MoKα","","0.0228","0.0211","","","0.0597","0.0613","","","","","","1.015","","","","has coordinates,has disorder","302502","2025-10-06","07:41:00",""
"1575196","9.339","0.002","10.761","0.003","20.275","0.005","90","","90","","90","","2037.6","0.9","296","2","296","2","","","","","","","","6","I m m m","-I 2 2","71","","","","- C36 H50 I0 N2 Ni2 O12 -","- C36 H50 N2 Ni2 O12 -","- C72 H100 N4 Ni4 O24 -","2","0.125","","Xiao, Zongjing; Li, Pengfei; Sun, Beibei; Bao, Xinrui; Gan, Lei; Yang, Huajun","Water-mediated synthesis of hydrogen-bonded metal-organic frameworks.","Chemical science","2025","16","33","14919","14923","10.1039/d5sc02337h","","","0.71073","MoKα","","0.0263","0.0225","","","0.0581","0.0604","","","","","","0.949","","","","has coordinates,has disorder","302502","2025-10-06","07:41:02",""
"1575197","17.7985","0.0006","17.8628","0.0008","19.3154","0.0006","90","","90","","90","","6141","0.4","150","","150","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C49 H107 Ce I Li N4 O4 Si3 -","- C49 H107 Ce I Li N4 O4 Si3 -","- C196 H428 Ce4 I4 Li4 N16 O16 Si12 -","4","1","","Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory","Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex.","Chemical science","2025","16","34","15510","15517","10.1039/d5sc03626g","","x-ray","0.71073","MoKα","","0.0417","0.0331","","","0.0849","0.0888","","","","","","1.085","","","","has coordinates,has disorder","302552","2025-10-06","08:01:58",""
"1575198","15.5528","0.0012","19.1984","0.0009","19.4099","0.001","90","","91.1","0.006","90","","5794.5","0.6","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H99 Ce I Li N4 O3 Si3 -","- C45 H99 Ce I Li N4 O3 Si3 -","- C180 H396 Ce4 I4 Li4 N16 O12 Si12 -","4","1","","Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory","Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex.","Chemical science","2025","16","34","15510","15517","10.1039/d5sc03626g","","x-ray","0.71073","MoKα","","0.0846","0.0466","","","0.0868","0.1006","","","","","","1.024","","","","has coordinates","302552","2025-10-06","08:01:59",""
"1575199","13.0115","0.001","15.7902","0.0009","20.3365","0.0017","90","","90.712","0.007","90","","4177.9","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H75 Br Ce N4 Si3 -","- C33 H75 Br Ce N4 Si3 -","- C132 H300 Br4 Ce4 N16 Si12 -","4","1","","Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory","Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex.","Chemical science","2025","16","34","15510","15517","10.1039/d5sc03626g","","","0.71073","MoKα","","0.0434","0.0281","","","0.0628","0.0681","","","","","","1.064","","","","has coordinates","302552","2025-10-06","08:01:59",""
"1575200","9.499","0.0008","22.531","0.002","19.0088","0.0017","90","","91.907","0.003","90","","4066","0.6","150.01","","150.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H75 Ce N4 Si3 -","- C33 H75 Ce N4 Si3 -","- C132 H300 Ce4 N16 Si12 -","4","1","","Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory","Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex.","Chemical science","2025","16","34","15510","15517","10.1039/d5sc03626g","","","0.71073","MoKα","","0.0552","0.0348","","","0.0706","0.075","","","","","","0.925","","","","has coordinates","302552","2025-10-06","08:01:59",""
"1575201","12.9683","0.0008","15.5387","0.0009","20.3785","0.0012","90","","90.572","0.005","90","","4106.3","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H75 Ce Cl N4 Si3 -","- C33 H75 Ce Cl N4 Si3 -","- C132 H300 Ce4 Cl4 N16 Si12 -","4","1","","Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory","Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex.","Chemical science","2025","16","34","15510","15517","10.1039/d5sc03626g","","x-ray","0.71073","MoKα","","0.0806","0.0378","","","0.0666","0.0737","","","","","","0.91","","","","has coordinates","302552","2025-10-06","08:01:59",""
"1575202","20.3562","0.001","19.958","0.0009","20.6752","0.0011","90","","103.739","0.004","90","","8159.4","0.7","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C264 H600 Ce8 F8 N32 Si24 -","- C264 H600 Ce8 F8 N32 Si24 -","- C264 H600 Ce8 F8 N32 Si24 -","1","0.25","","Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory","Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex.","Chemical science","2025","16","34","15510","15517","10.1039/d5sc03626g","","x-ray","0.71073","MoKα","","0.0609","0.0371","","","0.0869","0.0998","","","","","","1.035","","","","has coordinates","302552","2025-10-06","08:01:59",""
"1575203","15.80343","0.00014","22.6493","0.0002","21.5753","0.0002","90","","96.5821","0.0009","90","","7671.69","0.12","139.99","0.1","139.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H118 K N3 O6 U -","- C83 H118 K N3 O6 U -","- C332 H472 K4 N12 O24 U4 -","4","1","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","0.71073","MoKα","","0.0766","0.0399","","","0.0747","0.0822","","","","","","1.023","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575204","14.81503","0.00015","15.69327","0.00017","33.7005","0.0003","90","","93.4484","0.0009","90","","7821.05","0.14","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H122 K N3 O3 U -","- C83 H122 K N3 O3 U -","- C332 H488 K4 N12 O12 U4 -","4","1","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","1.54184","CuKα","","0.0513","0.0402","","","0.1008","0.108","","","","","","1.054","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575205","11.6846","0.0002","15.7796","0.0003","18.592","0.0003","103.309","0.0015","94.0723","0.0015","107.288","0.0017","3149.13","0.1","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C126 H188 Cl4 K2 N6 O8 U2 -","- C126 H188 Cl4 K2 N6 O8 U2 -","- C126 H188 Cl4 K2 N6 O8 U2 -","1","0.5","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","1.54184","CuKα","","0.0349","0.0307","","","0.0723","0.0745","","","","","","1.023","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575206","15.91762","0.00013","14.57188","0.00013","26.4106","0.0002","90","","99.07","0.0008","90","","6049.33","0.09","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C119.2 H187 K6 N6 O6.3 -","- C110 H164 K6 N6 O4 -","- C220 H328 K12 N12 O8 -","2","0.5","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","1.54184","CuKα","","0.0472","0.0439","","","0.1244","0.1278","","","","","","1.04","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575207","13.394","0.0003","14.0175","0.0002","25.0941","0.0005","89.5052","0.0015","75.245","0.0017","69.4982","0.0018","4250.57","0.16","139.99","0.1","139.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C92 H134 K N3 O9 U -","- C92 H134 K N3 O9 U -","- C184 H268 K2 N6 O18 U2 -","2","1","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","1.54184","CuKα","","0.0805","0.0789","","","0.2238","0.2249","","","","","","1.204","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575208","22.70041","0.00019","22.5404","0.0003","26.0053","0.0003","90","","111.315","0.0012","90","","12396.1","0.3","140","0.1","140","0.1","","","","","","","","7","I 1 a 1","I -2ya","9","","","","- C122 H186 Cl3 K3 N6 O7 U2 -","- C122 H186 Cl3 K3 N6 O7 U2 -","- C488 H744 Cl12 K12 N24 O28 U8 -","4","1","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","1.54184","CuKα","","0.0528","0.0478","","","0.1233","0.1269","","","","","","1.017","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575209","28.4069","0.0004","15.1709","0.0002","30.045","0.0004","90","","95.1738","0.0013","90","","12895.4","0.3","140","0.12","140","0.12","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H102 N3 O5 U -","- C59 H86 N3 O3 U -","- C472 H688 N24 O24 U8 -","8","2","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","1.54184","CuKα","","0.0789","0.0549","","","0.1253","0.1399","","","","","","1.0224","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575210","21.026","0.01","13.762","0.006","21.097","0.01","90","","118.1","0.016","90","","5385","4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H79 N6 P Zn -","- C56 H79 N6 P Zn -","- C224 H316 N24 P4 Zn4 -","4","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.1325","0.0805","","","0.1192","0.1372","","","","","","1.154","","","","has coordinates,has disorder","302540","2025-10-06","07:57:27",""
"1575211","13.2792","0.0007","13.7788","0.001","15.3972","0.0012","70.153","0.007","76.765","0.005","79.146","0.005","2560.6","0.3","223","0.1","223","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C53 H74 N4 P Zn -","- C53 H74 N4 P Zn -","- C106 H148 N8 P2 Zn2 -","2","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","x-ray","0.71073","MoKα","","0.1113","0.0586","","","0.126","0.163","","","","","","1.04","","","","has coordinates,has disorder","302540","2025-10-06","07:57:27",""
"1575212","24.9688","0.0009","10.7308","0.0004","21.6707","0.0008","90","","96.88","0.001","90","","5764.5","0.4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H79 N4 P Zn -","- C56 H79 N4 P Zn -","- C224 H316 N16 P4 Zn4 -","4","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.0926","0.0614","","","0.1337","0.1492","","","","","","1.039","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575213","13.2738","0.0004","16.5149","0.0005","19.8649","0.0006","85.59","0.001","86.806","0.001","84.517","0.001","4316.8","0.2","150","1","150","1","","","","","","","","9","P -1","-P 1","2","","","","- C88 H106 Au F6 N5 O4 P2 S2 Zn -","- C88 H106 Au F6 N5 O4 P2 S2 Zn -","- C176 H212 Au2 F12 N10 O8 P4 S4 Zn2 -","2","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.0671","0.0534","","","0.1292","0.1422","","","","","","1.035","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575214","14.9188","0.0006","17.12","0.0007","20.8807","0.0009","90","","94.451","0.001","90","","5317.1","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H79 N4 P Zn -","- C56 H79 N4 P Zn -","- C224 H316 N16 P4 Zn4 -","4","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.1103","0.0766","","","0.1219","0.133","","","","","","1.118","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575215","12.4129","0.0017","13.8443","0.0018","18.128","0.002","99.423","0.004","91.21","0.004","101.739","0.004","3004.2","0.7","150","1","150","1","","","","","","","","9","P -1","-P 1","2","","","","- C58 H79 Ag F6 N5 O4 P S2 Zn -","- C58 H79 Ag F6 N5 O4 P S2 Zn -","- C116 H158 Ag2 F12 N10 O8 P2 S4 Zn2 -","2","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.083","0.066","","","0.1833","0.2011","","","","","","1.031","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575216","11.4773","0.0007","12.3292","0.0007","21.4352","0.0012","98.574","0.002","98.849","0.002","105.039","0.002","2837.1","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C61 H86 N4 Ni P Zn -","- C61 H86 N4 Ni P Zn -","- C122 H172 N8 Ni2 P2 Zn2 -","2","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.0743","0.0524","","","0.1102","0.1218","","","","","","1.049","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575217","21.0168","0.0012","13.7828","0.0007","20.9785","0.0012","90","","118.003","0.002","90","","5365.4","0.5","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H79 N4 O P Zn -","- C57 H79 N4 O P Zn -","- C228 H316 N16 O4 P4 Zn4 -","4","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.1475","0.085","","","0.1332","0.1582","","","","","","1.078","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575218","14.1786","0.0005","14.4517","0.0006","26.2054","0.0011","90","","90","","90","","5369.6","0.4","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H79 N4 O2 P Zn -","- C57 H79 N4 O2 P Zn -","- C228 H316 N16 O8 P4 Zn4 -","4","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.0589","0.0432","","","0.0936","0.1022","","","","","","1.037","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575219","22.5888","0.001","17.4697","0.0008","19.2725","0.0008","90","","109.369","0.001","90","","7174.9","0.5","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70.5 H97 N8 P Zn -","- C70.5 H97 N8 P Zn -","- C282 H388 N32 P4 Zn4 -","4","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.1735","0.1092","","","0.2463","0.2878","","","","","","1.128","","","","has coordinates,has disorder","302540","2025-10-06","07:57:27",""
"1575220","8.9542","0.0005","14.7938","0.0008","20.8352","0.0011","106.669","0.002","93.269","0.002","90.445","0.002","2638.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 N2 O6 Si -","- C56 H54 N2 O6 Si -","- C112 H108 N4 O12 Si2 -","2","1","","Stoess, Lennart; Greb, Lutz","What distinguishes the strength and the effect of a Lewis base: insights with a strong chromogenic silicon Lewis acid.","Chemical science","2025","16","34","15387","15395","10.1039/d5sc03200h","","x-ray","0.71073","MoKα","","0.0711","0.0613","","","0.1615","0.1677","","","","","","1.086","","","","has coordinates","302541","2025-10-06","07:57:50",""
"1575221","15.0843","0.0017","15.9059","0.0017","20.643","0.002","108.857","0.004","95.289","0.004","114.939","0.003","4096.6","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C84.5 H111 Cl6 N2 O6 P Si -","- C84.501 H111.002 Cl6.002 N2 O6 P Si -","- C169.002 H222.004 Cl12.004 N4 O12 P2 Si2 -","2","1","","Stoess, Lennart; Greb, Lutz","What distinguishes the strength and the effect of a Lewis base: insights with a strong chromogenic silicon Lewis acid.","Chemical science","2025","16","34","15387","15395","10.1039/d5sc03200h","","x-ray","0.71073","MoKα","","0.1813","0.1148","","","0.2872","0.3177","","","","","","1.038","","","","has coordinates,has disorder","302541","2025-10-06","07:58:01",""
"1575222","23.7594","0.0015","12.8395","0.0008","27.154","0.0016","90","","101.651","0.002","90","","8112.9","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C83.92 H81.84 Cl8.84 N2 O6 P Si -","- C83.918 H81.836 Cl8.836 N2 O6 P Si -","- C335.672 H327.344 Cl35.344 N8 O24 P4 Si4 -","4","1","","Stoess, Lennart; Greb, Lutz","What distinguishes the strength and the effect of a Lewis base: insights with a strong chromogenic silicon Lewis acid.","Chemical science","2025","16","34","15387","15395","10.1039/d5sc03200h","","x-ray","0.71073","MoKα","","0.0672","0.0507","","","0.1242","0.1357","","","","","","1.037","","","","has coordinates,has disorder","302541","2025-10-06","07:58:02",""
"1575223","9.988","0.0008","10.1205","0.0007","13.3556","0.0007","83.945","0.005","83.632","0.005","69.237","0.007","1251.38","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","MnS","","- C24 H16 Mn N4 S6 -","- C24 H16 Mn N4 S6 -","- C48 H32 Mn2 N8 S12 -","2","1","","Wang, Yanqi; Zhai, Longfei; Xiong, Wei-Wei","Preparing an MnS@CN composite with lasagna-like nanostructure through pyrolysis of an organic hybrid manganese sulfide for electrochemical lithium storage.","Nanoscale","2025","17","31","18315","18324","10.1039/d5nr01936b","","","0.71073","MoKα","","0.1486","0.0874","","","0.2001","0.2468","","","","","","1.031","","","","has coordinates","302707","2025-10-06","10:03:16",""
"1575224","31.9024","0.0004","11.255","0.0001","16.6438","0.0002","90","","90","","90","","5976.15","0.12","123","0.1","123","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H43 Fe Mg O3.5 P5 -","- C24 H43 Fe Mg O3.5 P5 -","- C192 H344 Fe8 Mg8 O28 P40 -","8","1","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","1.54184","CuKα","","0.0366","0.0335","","","0.0894","0.0918","","","","","","1.037","","","","has coordinates,has disorder","302543","2025-10-06","07:58:50",""
"1575225","14.4098","0.0004","21.064","0.0005","18.1097","0.0005","90","","95.055","0.002","90","","5475.4","0.3","122.97","0.1","122.97","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H150 Fe2 Mg2 N4 P12 -","- C109 H150 Fe2 Mg2 N4 P12 -","- C218 H300 Fe4 Mg4 N8 P24 -","2","0.5","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","1.54184","CuKα","","0.0833","0.0554","","","0.117","0.1364","","","","","","1.05","","","","has coordinates,has disorder","302543","2025-10-06","07:58:50",""
"1575226","27.7184","0.0007","40.4538","0.0012","20.3254","0.0004","90","","90","","90","","22791.2","1","133","0.1","133.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H78 Ba Fe2 O6 P10 -","- C42 H74 Ba Fe2 O5.5 P10 -","- C672 H1184 Ba16 Fe32 O88 P160 -","16","4","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","0.71073","MoKα","","0.1214","0.1004","","","0.2664","0.2853","","","","","","1.066","","","","has coordinates,has disorder","302543","2025-10-06","07:58:50",""
"1575227","10.7346","0.0001","10.7346","0.0001","60.8","0.0008","90","","90","","90","","7006.08","0.13","123","0.1","123","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C66 H96 Fe2 Mg O5 P12 -","- C66 H96 Fe2 Mg O5 P12 -","- C264 H384 Fe8 Mg4 O20 P48 -","4","0.5","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","1.54184","CuKα","","0.0642","0.0537","","","0.1211","0.1263","","","","","","1.038","","","","has coordinates,has disorder","302543","2025-10-06","07:58:50",""
"1575228","10.7954","0.0002","20.3376","0.0003","19.5093","0.0003","90","","90.312","0.001","90","","4283.25","0.12","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H120 Fe2 O8 P12 Sr2 -","- C78 H120 Fe2 O8 P12 Sr2 -","- C156 H240 Fe4 O16 P24 Sr4 -","2","0.5","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","1.54184","CuKα","","0.0624","0.049","","","0.1293","0.138","","","","","","1.056","","","","has coordinates,has disorder","302543","2025-10-06","07:58:51",""
"1575229","12.3561","0.0003","15.515","0.0003","20.0866","0.0005","90","","103.304","0.002","90","","3747.36","0.15","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H108 Fe2 O10 P10 Sr2 -","- C60 H108 Fe2 O10 P10 Sr2 -","- C120 H216 Fe4 O20 P20 Sr4 -","2","0.5","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","0.56087","AgKα","","0.0713","0.0475","","","0.1121","0.1298","","","","","","1.034","","","","has coordinates,has disorder","302543","2025-10-06","07:58:51",""
"1575230","10.5512","0.0006","14.2205","0.0007","37.349","0.002","90","","95.224","0.005","90","","5580.7","0.5","122.98","0.11","122.98","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H76 Fe2 Mg O8 P10 -","- C38 H76 Fe2 Mg O8 P10 -","- C152 H304 Fe8 Mg4 O32 P40 -","4","1","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","1.54184","CuKα","","0.1007","0.0723","","","0.1847","0.2191","","","","","","1.067","","","","has coordinates,has disorder","302543","2025-10-06","07:58:51",""
"1575231","7.8266","0.0001","15.0675","0.0003","24.1674","0.0004","90","","97.197","0.002","90","","2827.54","0.08","200","0.3","200","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 N2 O8 -","- C38 H28 N2 O8 -","- C152 H112 N8 O32 -","4","1","","Martínez-Visiedo, Joel; Ibáñez, Susana; Dawe, Louise N.; Peris, Eduardo","A metallosupramolecular-based ring-in-ring complex showing reversible host-guest dynamics and switchable electrochemical properties.","Nanoscale","2025","17","35","20089","20095","10.1039/d5nr02758f","","x-ray","1.54184","CuKα","","0.0478","0.0412","","","0.116","0.1227","","","","","","1.047","","","","has coordinates","302708","2025-10-06","10:03:49",""
"1575232","34.3083","0.0013","25.6152","0.0004","41.4962","0.0018","90","","117.491","0.005","90","","32350","2","200.15","","200.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C198 H216 Ir4 N22 O8 -","- C198 H216 Ir4 N22 O8 -","- C792 H864 Ir16 N88 O32 -","4","0.5","","Martínez-Visiedo, Joel; Ibáñez, Susana; Dawe, Louise N.; Peris, Eduardo","A metallosupramolecular-based ring-in-ring complex showing reversible host-guest dynamics and switchable electrochemical properties.","Nanoscale","2025","17","35","20089","20095","10.1039/d5nr02758f","","x-ray","1.54184","CuKα","","0.1395","0.108","","","0.3056","0.3566","","","","","","1.154","","","","has coordinates,has disorder","302708","2025-10-06","10:03:49",""
"1575233","15.2233","0.0007","11.5814","0.0005","25.9382","0.0015","90","","99.271","0.005","90","","4513.4","0.4","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Cl2 N4 Ni2 O2 P2 -","- C50 H40 Cl2 N4 Ni2 O2 P2 -","- C200 H160 Cl8 N16 Ni8 O8 P8 -","4","1","","Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Multifunctional PNN-NiII pincer catalyst for C–C and C–N bond formation via alkylation, cross-coupling, and hydroamination reactions","Catalysis Science & Technology","2025","15","18","5275","5284","10.1039/D5CY00718F","","x-ray","0.71073","MoKα","","0.1053","0.0642","","","0.1473","0.1701","","","","","","1.038","","","","has coordinates","302394","2025-10-06","06:32:59",""
"1575234","10.5132","0.0006","10.9249","0.0006","14.5672","0.0009","107.373","0.005","107.332","0.005","95.323","0.005","1493.66","0.17","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Cl5 N2 Ni O2 P -","- C28 H26 Cl5 N2 Ni O2 P -","- C56 H52 Cl10 N4 Ni2 O4 P2 -","2","1","","Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Multifunctional PNN-NiII pincer catalyst for C–C and C–N bond formation via alkylation, cross-coupling, and hydroamination reactions","Catalysis Science & Technology","2025","15","18","5275","5284","10.1039/D5CY00718F","","x-ray","0.71073","MoKα","","0.0853","0.0504","","","0.117","0.1328","","","","","","1.003","","","","has coordinates","302394","2025-10-06","06:32:59",""
"1575235","9.2533","0.0002","14.3859","0.0003","15.5532","0.0004","90","","90","","90","","2070.4","0.08","150","0.1","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N2 O2 P -","- C25 H21 N2 O2 P -","- C100 H84 N8 O8 P4 -","4","1","","Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Multifunctional PNN-NiII pincer catalyst for C–C and C–N bond formation via alkylation, cross-coupling, and hydroamination reactions","Catalysis Science & Technology","2025","15","18","5275","5284","10.1039/D5CY00718F","","","0.71073","MoKα","","0.0671","0.0445","","","0.0859","0.0938","","","","","","1.049","","","","has coordinates","302394","2025-10-06","06:32:59",""
"1575236","27.228","0.003","27.228","0.003","15.692","0.004","90","","90","","120","","10075","3","100","0.1","100","0.1","","","","","","","","6","R -3 :H","-R 3","148","heat","M1'","","- C66 H78 B3 F12 N3 O3 -","- C66 H78 B3 F12 N3 O3 -","- C396 H468 B18 F72 N18 O18 -","6","0.333333","","Wang, Hui; Sun, Chuanqi; Jia, Xu; Liu, Hui; Li, Cheng; Zhao, Yingjie","Reversible transformation of single-crystal two-dimensional polymer framework for photo/thermal reversible photolithography.","Chemical science","2025","16","34","15734","15741","10.1039/d5sc03359d","","x-ray","1.54184","CuKα","","0.2382","0.1821","","","0.3212","0.3454","","","","","","1.212","","","","has coordinates","302539","2025-10-06","07:56:55",""
"1575237","9.7011","0.0001","12.6871","0.0002","12.0065","0.0002","90","","91.03","0.001","90","","1477.51","0.04","123","","123","","","","","","","","","4","P 1 n 1","P -2yac","7","","5-bromo-2-methoxy-1,1':4',1''-terphenyl","","- C19 H15 Br O -","- C19 H15 Br O -","- C76 H60 Br4 O4 -","4","2","","Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime","A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers.","Chemical science","2025","16","35","15964","15976","10.1039/d5sc01669j","","x-ray","1.54184","CuKα","","0.0304","0.0287","","","0.0783","0.0895","","","","","","1.116","","","","has coordinates","302526","2025-10-06","07:49:22",""
"1575238","6.4748","0.0001","9.6162","0.0002","21.7688","0.0003","90","","90","","90","","1355.39","0.04","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(5-bromo-2-methoxyphenyl)naphthalene","","- C17 H13 Br O -","- C17 H13 Br O -","- C68 H52 Br4 O4 -","4","1","","Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime","A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers.","Chemical science","2025","16","35","15964","15976","10.1039/d5sc01669j","","x-ray","1.54184","CuKα","","0.0296","0.0281","","","0.0782","0.0807","","","","","","1.156","","","","has coordinates","302526","2025-10-06","07:49:22",""
"1575239","7.2726","0.0005","34.397","0.002","7.1925","0.0005","90","","114.07","0.008","90","","1642.8","0.2","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","methyl 4'-methoxy-4''-methyl-[1,1':3',1''-terphenyl]-4-carboxylate","","- C22 H20 O3 -","- C22 H20 O3 -","- C88 H80 O12 -","4","1","","Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime","A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers.","Chemical science","2025","16","35","15964","15976","10.1039/d5sc01669j","","x-ray","0.71073","MoKα","","0.0482","0.0422","","","0.117","0.1211","","","","","","1.009","","","","has coordinates","302526","2025-10-06","07:49:22",""
"1575240","13.1518","0.0001","19.2859","0.0001","18.429","0.0002","90","","90.849","0.001","90","","4673.9","0.07","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H43 Br2 F12 O3 P Pd -","- C46 H43 Br2 F12 O3 P Pd -","- C184 H172 Br8 F48 O12 P4 Pd4 -","4","1","","Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime","A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers.","Chemical science","2025","16","35","15964","15976","10.1039/d5sc01669j","","x-ray","1.54184","CuKα","","0.0527","0.0513","","","0.1442","0.1488","","","","","","1.067","","","","has coordinates,has disorder","302526","2025-10-06","07:49:22",""
"1575241","10.0751","0.001","13.7318","0.0017","14.6404","0.0015","91.336","0.006","107.416","0.004","90.799","0.006","1931.6","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 N5 Ni O7 -","- C28 H16 N4 Ni O6 -","- C56 H32 N8 Ni2 O12 -","2","1","","Tai, Hongbo; Zhang, Xuan; Rong, Yang; Liu, Zhiliang","Rational crystal engineering of conductive metal-organic frameworks for promising electrochemical energy storage.","Chemical science","2025","16","34","15438","15445","10.1039/d5sc02794b","","","1.34139","GaKα","","0.0702","0.0523","","","0.1572","0.1681","","","","","","1.057","","","","has coordinates,has disorder","302550","2025-10-06","08:01:15",""
"1575242","10.1","0.002","13.535","0.003","14.671","0.003","104.991","0.006","109.272","0.006","94.427","0.006","1799.5","0.7","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N5 Ni O8 -","- C28 H18 N4 Ni O6 -","- C56 H36 N8 Ni2 O12 -","2","1","","Tai, Hongbo; Zhang, Xuan; Rong, Yang; Liu, Zhiliang","Rational crystal engineering of conductive metal-organic frameworks for promising electrochemical energy storage.","Chemical science","2025","16","34","15438","15445","10.1039/d5sc02794b","","","1.34139","GaKα","","0.0706","0.0556","","","0.1607","0.1696","","","","","","1.099","","","","has coordinates","302550","2025-10-06","08:01:15",""
"1575243","12.0923","0.0014","11.969","0.0014","21.896","0.003","90","","90","","90","","3169.1","0.7","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","PM-26","","- C37 H27 N5 O7 -","- C37 H27 N5 O7 -","- C148 H108 N20 O28 -","4","1","","Maharana, Prabhat Kumar; Muthuraja, Perumal; Kar, Subhradeep; Veerappan, Tamilthendral; Punniyamurthy, Tharmalingam","Cascade C-H functionalization/annulation of arylamides: access to succinimide-tethered isoquinoline-1,3-diones.","Chemical communications (Cambridge, England)","2025","61","71","13449","13452","10.1039/d5cc02963e","","","0.71073","MoKα","","0.0454","0.0348","","","0.0777","0.0892","","","","","","1.097","","","","has coordinates","302448","2025-10-06","07:09:41",""
"1575244","15.0035","0.0015","15.2445","0.0015","19.376","0.002","79.425","0.003","72.534","0.003","64.12","0.003","3796.3","0.7","295","","295","","","","","","","","","5","P -1","-P 1","2","","PKM-545","","- C82 H72 N10 O17 S3 -","- C76 H54 N10 O14 -","- C152 H108 N20 O28 -","2","1","","Maharana, Prabhat Kumar; Muthuraja, Perumal; Kar, Subhradeep; Veerappan, Tamilthendral; Punniyamurthy, Tharmalingam","Cascade C-H functionalization/annulation of arylamides: access to succinimide-tethered isoquinoline-1,3-diones.","Chemical communications (Cambridge, England)","2025","61","71","13449","13452","10.1039/d5cc02963e","","x-ray","0.71073","MoKα","","0.1003","0.0669","","","0.1412","0.1606","","","","","","1.06","","","","has coordinates","302448","2025-10-06","07:09:53",""
"1575245","9.9934","0.0001","14.8953","0.0001","18.5528","0.0001","90","","97.49","0.001","90","","2738.11","0.04","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ReC34H21N2O5","","- C34 H21 N2 O5 Re -","- C34 H21 N2 O5 Re -","- C136 H84 N8 O20 Re4 -","4","1","","Kushwaha, Rajesh; Singh, Virendra; Koch, Biplob; Banerjee, Samya","A bexarotene-attached Re(I) tricarbonyl complex for NADH oxidation and ROS-mediated cancer phototherapy.","Chemical communications (Cambridge, England)","2025","61","68","12713","12716","10.1039/d5cc03374h","","x-ray","1.54184","CuKα","","0.0396","0.0376","","","0.1181","0.1189","","","","","","1.15","","","","has coordinates","302471","2025-10-06","07:18:27",""
"1575246","20.88","0.0009","4.1316","0.0001","17.4968","0.0007","90","","114.092","0.005","90","","1377.93","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H10 Br2 N2 Pb -","- C12 H10 Br2 N2 Pb -","- C48 H40 Br8 N8 Pb4 -","4","1","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0495","0.0445","","","0.093","0.095","","","","","","1.192","","","","has coordinates","302531","2025-10-06","07:51:28",""
"1575247","9.6885","0.0006","17.909","0.0011","4.336","0.0003","90","","90","","90","","752.35","0.08","99.97","0.11","99.97","0.11","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 I2 N2 Pb -","- C12 I2 N2 Pb -","- C24 I4 N4 Pb2 -","2","0.5","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0642","0.0605","","","0.1361","0.1381","","","","","","1.265","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"1575248","19.6147","0.0009","10.211","0.0003","7.2904","0.0003","90","","90","","90","","1460.16","0.1","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H10 I2 N2 Pb -","- C12 H10 I2 N2 Pb -","- C48 H40 I8 N8 Pb4 -","4","0.5","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0453","0.0349","","","0.0553","0.0578","","","","","","1.256","","","","has coordinates","302531","2025-10-06","07:51:29",""
"1575249","12.1435","0.0008","14.3139","0.0009","4.1064","0.0003","90","","91.303","0.007","90","","713.59","0.08","99.94","0.13","99.94","0.13","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 Br2 N2 Pb -","- C12 Br2 N2 Pb -","- C24 Br4 N4 Pb2 -","2","0.25","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0481","0.0453","","","0.1076","0.1105","","","","","","1.089","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"1575250","4.0476","0.0002","8.8861","0.0005","9.5086","0.0005","74.107","0.005","85.675","0.005","81.7","0.005","325.25","0.03","99.97","0.1","99.97","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cl2 N2 Pb -","- C12 H10 Cl2 N2 Pb -","- C12 H10 Cl2 N2 Pb -","1","0.5","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0282","0.0278","","","0.0664","0.0664","","","","","","1.06","","","","has coordinates","302531","2025-10-06","07:51:29",""
"1575251","12.8252","0.0005","14.2484","0.0004","4.2928","0.0002","90","","90.172","0.004","90","","784.46","0.05","99.97","0.1","99.97","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H10 I2 N2 Pb -","- C12 H10 I2 N2 Pb -","- C24 H20 I4 N4 Pb2 -","2","0.25","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0421","0.0406","","","0.1044","0.1056","","","","","","1.179","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"1575252","8.8284","0.0002","18.8885","0.0005","4.1504","0.0001","90","","90","","90","","692.1","0.03","99.95","0.11","99.95","0.11","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C12 Br2 N2 Pb -","- C12 Br2 N2 Pb -","- C24 Br4 N4 Pb2 -","2","0.25","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0345","0.0282","","","0.0607","0.0634","","","","","","1.109","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"1575253","4.366","0.0003","9.7804","0.0004","18.0733","0.0008","90","","90","","90","","771.75","0.07","99.97","0.1","100.15","","","","","","","","","4","P m c 21","P 2c -2","26","","","","- C12 I2 N2 Pb -","- C12 I2 N2 Pb -","- C24 I4 N4 Pb2 -","2","0.5","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71","MoKα","","0.051","0.0475","","","0.1089","0.1114","","","","","","1.218","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"1575254","3.9385","0.0003","28.0476","0.0015","11.9766","0.0007","90","","97.269","0.006","90","","1312.37","0.15","99.93","0.16","99.93","0.16","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl2 N2 Pb -","- C12 H10 Cl2 N2 Pb -","- C48 H40 Cl8 N8 Pb4 -","4","0.5","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","","0.71073","MoKα","","0.047","0.0423","","","0.0857","0.0874","","","","","","1.211","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"1575255","11.995","0.002","14.728","0.003","4.3566","0.0008","90","","95.427","0.006","90","","766.2","0.2","173","","173","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H10 I2 N2 Pb -","- C12 H10 I2 N2 Pb -","- C24 H20 I4 N4 Pb2 -","2","0.25","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","","0.71073","MoKα","","0.0444","0.042","","","0.1014","0.1032","","","","","","1.021","","","","has coordinates","302531","2025-10-06","07:51:29",""
"1575256","23.0137","0.0002","23.0137","0.0002","23.0137","0.0002","90","","90","","90","","12188.8","0.18","297","","297","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C120 H96 Cu8 F12 N8 P8 -","- C120 H96 Cu8 F12 N8 P8 -","- C480 H384 Cu32 F48 N32 P32 -","4","0.333333","","Lin, Yan-Yan; Luo, Jian; Dai, Bo-Wen; Yao, Jun-Fei; Xu, Liang-Jin; Lei, Zhen; Wei, Qiao-Hua","Lantern-like Cu8 cluster for high-efficiency electrically driven light-emitting diodes.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13483","13491","10.1039/d5dt01053e","","x-ray","1.54184","CuKα","","0.0472","0.0383","","","0.0866","0.0901","","","","","","1.021","","","","has coordinates","302651","2025-10-06","09:28:37",""
"1575257","19.719","0.0005","19.719","0.0005","22.155","0.0009","90","","90","","90","","8614.7","0.5","100","2","100","2","","","","","","","","3","I 4/m","-I 4","87","","","","- Na24 O180 U24 -","- Na24 O180 U24 -","- Na48 O360 U48 -","2","0.125","","Samarasiri, Vidumini S.; Rajapaksha, Harindu; McGee, Sarah; Mason, Sara E.; Forbes, Tori Z.","Formation of U(VI) peroxide nanoclusters from cascade reactions with a persulfate radical initiator.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13129","13142","10.1039/d5dt00785b","","","0.71073","MoKα","","0.0501","0.0364","","","0.085","0.0913","","","","","","1.057","","","","has coordinates","302657","2025-10-06","09:30:30",""
"1575258","10.507","0.0001","10.7999","0.0002","22.6843","0.0003","90","","103.214","0.0007","90","","2505.94","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N O11 -","- C28 H31 N O11 -","- C112 H124 N4 O44 -","4","1","","Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar","Influence of the crystallisation approach on multicomponent systems of palmatine chloride","CrystEngComm","2025","27","35","5901","5917","10.1039/D5CE00441A","","","0.71073","MoKα","","0.0904","0.0426","","","0.1035","0.1173","","","","","","1.013","","","","has coordinates","302583","2025-10-06","08:31:58",""
"1575259","24.428","0.003","13.7192","0.0016","22.38","0.003","90","","90.459","0.004","90","","7500","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H80 N2 O21 S -","- C90 H80 N2 O21 S -","- C360 H320 N8 O84 S4 -","4","1","","Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar","Influence of the crystallisation approach on multicomponent systems of palmatine chloride","CrystEngComm","2025","27","35","5901","5917","10.1039/D5CE00441A","","","0.71073","MoKα","","0.194","0.0674","","","0.1637","0.2391","","","","","","1.022","","","","has coordinates,has disorder","302583","2025-10-06","08:31:59",""
"1575260","8.3964","0.0002","28.9669","0.0005","11.1056","0.0002","90","","103.121","0.001","90","","2630.56","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cl N O9 -","- C28 H30 Cl N O9 -","- C112 H120 Cl4 N4 O36 -","4","1","","Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar","Influence of the crystallisation approach on multicomponent systems of palmatine chloride","CrystEngComm","2025","27","35","5901","5917","10.1039/D5CE00441A","","","0.71073","MoKα","","0.1313","0.0672","","","0.1441","0.179","","","","","","1.044","","","","has coordinates","302583","2025-10-06","08:32:02",""
"1575261","12.8991","0.0002","13.3726","0.0003","14.7277","0.0002","65.97","0.002","89.366","0.001","89.621","0.002","2320.12","0.08","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H39 Mn2 N5 O4 S2 -","- C54 H39 Mn2 N5 O4 S2 -","- C108 H78 Mn4 N10 O8 S4 -","2","1","","Ikbal, Asik; Das, Gouri Sankar; Mehta, Sakshi; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Diyali, Nilankar; Mondal, Abhishake; Biswas, Bhaskar; Das, Hari Sankar","N<sub>2</sub>O<sub>2</sub>S-donor redox-active ligand coordinated dinuclear manganese(II) and cobalt(II) complexes: crystal structures, magnetic properties and electrochemical hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12447","12453","10.1039/d5dt00744e","","x-ray","1.54184","CuKα","","0.0314","0.0293","","","0.0747","0.0759","","","","","","1.067","","","","has coordinates","302626","2025-10-06","09:15:12",""
"1575262","12.725","0.0002","13.2973","0.0002","17.8496","0.0002","101.053","0.001","108.164","0.001","108.19","0.001","2582.84","0.07","99.95","","99.95","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H52 Co2 N6 O7 S2 -","- C58 H52 Co2 N6 O7 S2 -","- C116 H104 Co4 N12 O14 S4 -","2","1","","Ikbal, Asik; Das, Gouri Sankar; Mehta, Sakshi; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Diyali, Nilankar; Mondal, Abhishake; Biswas, Bhaskar; Das, Hari Sankar","N<sub>2</sub>O<sub>2</sub>S-donor redox-active ligand coordinated dinuclear manganese(II) and cobalt(II) complexes: crystal structures, magnetic properties and electrochemical hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12447","12453","10.1039/d5dt00744e","","x-ray","1.54184","CuKα","","0.053","0.0473","","","0.129","0.1329","","","","","","1.056","","","","has coordinates","302626","2025-10-06","09:15:12",""
"1575263","17.72","0.019","5.998","0.007","33.06","0.04","90","","90","","90","","3514","7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C160 H168 N8 O32 -","8","2","","Vinod, Kavya; Noushad, Najuma; Tanaka, Hidetoshi; Mohan, Nitha; Kokado, Yuya; Tomiya, Daiki; Kobori, Yasuhiro; Hariharan, Mahesh","Aggregation-assisted energy gap modulation controls delayed emission in hybrid charge-transfer emitters.","Chemical science","2025","16","34","15546","15554","10.1039/d5sc02071a","","","0.71073","MoKα","","0.2152","0.0851","","","0.1844","0.2522","","","","","","1.003","","","","has coordinates","302544","2025-10-06","07:59:04",""
"1575264","10.8941","0.0014","19.285","0.002","9.3345","0.0011","90","","106.773","0.004","90","","1877.7","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br N O4 -","- C20 H20 Br N O4 -","- C80 H80 Br4 N4 O16 -","4","1","","Vinod, Kavya; Noushad, Najuma; Tanaka, Hidetoshi; Mohan, Nitha; Kokado, Yuya; Tomiya, Daiki; Kobori, Yasuhiro; Hariharan, Mahesh","Aggregation-assisted energy gap modulation controls delayed emission in hybrid charge-transfer emitters.","Chemical science","2025","16","34","15546","15554","10.1039/d5sc02071a","","","0.71073","MoKα","","0.0914","0.0442","","","0.0939","0.109","","","","","","1.025","","","","has coordinates","302544","2025-10-06","07:59:04",""
"1575265","6.5089","0.0004","8.2692","0.0005","13.0732","0.0009","90","","101.411","0.002","90","","689.74","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 N4 -","- C17 H16 N4 -","- C34 H32 N8 -","2","1","","Laluk, Andrew L. D. M.; Buschmann, Dennis A.; Takano, Shinjiro; Sullivan, Angus I.; Aminfar, Parimah; Stamplecoskie, Kevin; Tsukuda, Tatsuya; Crudden, Cathleen M.","Tuning the surface chemistry of NHC-protected Au<sub>13</sub> nanoclusters <i>via</i> a robust amide coupling procedure.","Chemical science","2025","16","39","18278","18285","10.1039/d5sc02951a","","","0.71073","MoKα","","0.054","0.0393","","","0.081","0.0886","","","","","","1.072","","","","has coordinates","303641","2025-11-29","18:30:59",""
"1575266","10.4502","0.0003","10.814","0.0004","12.2059","0.0005","92.928","0.001","108.465","0.001","97.633","0.001","1290.38","0.08","102","2","102","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H60 Au Cl2 N4 O10 -","- C56 H60 Au Cl2 N4 O10 -","- C56 H60 Au Cl2 N4 O10 -","1","0.5","","Laluk, Andrew L. D. M.; Buschmann, Dennis A.; Takano, Shinjiro; Sullivan, Angus I.; Aminfar, Parimah; Stamplecoskie, Kevin; Tsukuda, Tatsuya; Crudden, Cathleen M.","Tuning the surface chemistry of NHC-protected Au<sub>13</sub> nanoclusters <i>via</i> a robust amide coupling procedure.","Chemical science","2025","16","39","18278","18285","10.1039/d5sc02951a","","","0.71073","MoKα","","0.0487","0.0449","","","0.0976","0.1002","","","","","","1.067","","","","has coordinates","303641","2025-11-29","18:30:59",""
"1575267","7.3204","0.0004","12.4682","0.0007","12.7462","0.0007","83.405","0.002","75.025","0.002","89.663","0.002","1116.08","0.11","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 Au F6 N4 O8 P -","- C46 H48 Au F6 N4 O8 P -","- C46 H48 Au F6 N4 O8 P -","1","0.5","","Laluk, Andrew L. D. M.; Buschmann, Dennis A.; Takano, Shinjiro; Sullivan, Angus I.; Aminfar, Parimah; Stamplecoskie, Kevin; Tsukuda, Tatsuya; Crudden, Cathleen M.","Tuning the surface chemistry of NHC-protected Au<sub>13</sub> nanoclusters <i>via</i> a robust amide coupling procedure.","Chemical science","2025","16","39","18278","18285","10.1039/d5sc02951a","","","0.71073","MoKα","","0.0471","0.0431","","","0.0846","0.0878","","","","","","1.101","","","","has coordinates","303641","2025-11-29","18:30:59",""
"1575268","22.7415","0.0011","27.9306","0.0012","36.9007","0.0018","90","","101.763","0.0016","90","","22946.5","1.9","108","0.5","108","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C210 H222 Au13 Cl9 F12 N18 O36 P2 -","- C210 H222 Au13 Cl9 F12 N18 O36 P2 -","- C840 H888 Au52 Cl36 F48 N72 O144 P8 -","4","1","","Laluk, Andrew L. D. M.; Buschmann, Dennis A.; Takano, Shinjiro; Sullivan, Angus I.; Aminfar, Parimah; Stamplecoskie, Kevin; Tsukuda, Tatsuya; Crudden, Cathleen M.","Tuning the surface chemistry of NHC-protected Au<sub>13</sub> nanoclusters <i>via</i> a robust amide coupling procedure.","Chemical science","2025","16","39","18278","18285","10.1039/d5sc02951a","","x-ray","0.71073","MoKα","","0.0963","0.0709","","","0.161","0.1761","","","","","","1.096","","","","has coordinates,has disorder","303641","2025-11-29","18:30:59",""
"1575269","19.5502","0.001","12.5616","0.0006","18.7554","0.0009","90","","105.33","0.002","90","","4442.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H69 B20 O2 P3 -","- C30 H69 B20 O2 P3 -","- C120 H276 B80 O8 P12 -","4","1","","Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V.","Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster.","Chemical science","2025","16","35","15997","16003","10.1039/d5sc04058b","","x-ray","0.71073","MoKα","","0.0644","0.0466","","","0.0936","0.1005","","","","","","1.072","","","","has coordinates,has disorder","302524","2025-10-06","07:49:04",""
"1575270","10.3745","0.0004","10.5931","0.0005","21.3748","0.0009","77.677","0.002","84.292","0.002","77.488","0.002","2236.93","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H69 B20 Cl Cu O P3 -","- C30 H69 B20 Cl Cu O P3 -","- C60 H138 B40 Cl2 Cu2 O2 P6 -","2","1","","Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V.","Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster.","Chemical science","2025","16","35","15997","16003","10.1039/d5sc04058b","","x-ray","0.71073","MoKα","","0.0412","0.0318","","","0.0736","0.0775","","","","","","1.055","","","","has coordinates,has disorder","302524","2025-10-06","07:49:05",""
"1575271","12.4794","0.0005","14.7895","0.0006","16.138","0.0006","88.786","0.002","72.01","0.001","88.654","0.001","2831.79","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H81 B21 Cu P3 -","- C50 H81 B21 Cu P3 -","- C100 H162 B42 Cu2 P6 -","2","1","","Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V.","Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster.","Chemical science","2025","16","35","15997","16003","10.1039/d5sc04058b","","x-ray","0.71073","MoKα","","0.0672","0.0465","","","0.114","0.1233","","","","","","1.103","","","","has coordinates,has disorder","302524","2025-10-06","07:49:05",""
"1575272","10.3603","0.0006","11.3077","0.0007","20.9212","0.0013","79.915","0.002","84.143","0.002","74.576","0.002","2322.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H67 B20 Cu N5 P3 -","- C30 H67 B20 Cu N5 P3 -","- C60 H134 B40 Cu2 N10 P6 -","2","1","","Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V.","Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster.","Chemical science","2025","16","35","15997","16003","10.1039/d5sc04058b","","x-ray","0.71073","MoKα","","0.0625","0.0451","","","0.0973","0.1054","","","","","","1.054","","","","has coordinates","302524","2025-10-06","07:49:05",""
"1575273","11.325","0.0004","41.3884","0.0015","10.463","0.0004","90","","102.191","0.001","90","","4793.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H70 B20 Cl Cu N3 P3 -","- C32 H70 B20 Cl Cu N3 P3 -","- C128 H280 B80 Cl4 Cu4 N12 P12 -","4","1","","Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V.","Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster.","Chemical science","2025","16","35","15997","16003","10.1039/d5sc04058b","","x-ray","0.71073","MoKα","","0.0321","0.0285","","","0.072","0.0734","","","","","","1.066","","","","has coordinates","302524","2025-10-06","07:49:05",""
"1575274","15.8245","0.0007","9.6398","0.0005","32.533","0.0014","90","","101.82","0.004","90","","4857.5","0.4","100","0.15","100","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tCzAzBN","","- C60 H60 B N3 -","- C60 H60 B N3 -","- C240 H240 B4 N12 -","4","1","","Chen, Yi-Kuan; Lei, Jian; Chao, Yu-Chieh; Kung, Yu-Cheng; Hung, Wen-Yi; Hsu, Liang-Yan; Wu, Tien-Lin","Strategic azepine engineering realizes highly efficient and stable blue narrowband light-emitting diodes.","Materials horizons","2025","12","22","9737","9748","10.1039/d5mh01084e","","x-ray","1.54184","CuKα","","0.1235","0.0711","","","0.1816","0.2198","","","","","","1.017","","","","has coordinates,has disorder","303971","2025-11-29","22:21:25",""
"1575275","11.4583","0.0003","29.8119","0.0007","32.0343","0.0011","90","","90","","90","","10942.7","0.5","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","tCzPAzBN-d10","","- C72 H58 B D10 N3 -","- C72 H58 B D10 N3 -","- C576 H464 B8 D80 N24 -","8","1","","Chen, Yi-Kuan; Lei, Jian; Chao, Yu-Chieh; Kung, Yu-Cheng; Hung, Wen-Yi; Hsu, Liang-Yan; Wu, Tien-Lin","Strategic azepine engineering realizes highly efficient and stable blue narrowband light-emitting diodes.","Materials horizons","2025","12","22","9737","9748","10.1039/d5mh01084e","","x-ray","1.54184","CuKα","","0.07","0.0505","","","0.1234","0.137","","","","","","1.036","","","","has coordinates,has disorder","303971","2025-11-29","22:21:27",""
"1575276","11.46318","0.00007","29.88427","0.00019","32.1321","0.00017","90","","90","","90","","11007.5","0.11","99.99","0.1","99.99","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","tCzPAzBN","","- C72 H68 B N3 -","- C72 H68 B N3 -","- C576 H544 B8 N24 -","8","1","","Chen, Yi-Kuan; Lei, Jian; Chao, Yu-Chieh; Kung, Yu-Cheng; Hung, Wen-Yi; Hsu, Liang-Yan; Wu, Tien-Lin","Strategic azepine engineering realizes highly efficient and stable blue narrowband light-emitting diodes.","Materials horizons","2025","12","22","9737","9748","10.1039/d5mh01084e","","x-ray","1.54184","CuKα","","0.0445","0.0374","","","0.0929","0.0971","","","","","","1.029","","","","has coordinates,has disorder","303971","2025-11-29","22:21:27",""
"1575277","11.013","0.003","15.456","0.004","18.53","0.005","86.382","0.009","89.951","0.008","79.749","0.008","3097.4","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H66 N6 O16 Zn2 -","- C70 H66 N6 O16 Zn2 -","- C140 H132 N12 O32 Zn4 -","2","1","","Chanda, Alokananda; Mandal, Sanjay K.","Synthesis of metal–organic rectangles decorated with primary amide groups for the synergistic Lewis acid and Brønsted base heterogeneous catalysis","Catalysis Science & Technology","2025","15","21","6379","6390","10.1039/D5CY00798D","","","0.71073","MoKα","","0.1135","0.1124","","","0.2811","0.2818","","","","","","1.037","","","","has coordinates","303507","2025-11-29","17:12:56",""
"1575278","11.0764","0.001","15.4916","0.0015","18.8224","0.0017","86.924","0.003","89.289","0.003","80.435","0.003","3180.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H66 Cd2 N6 O14 -","- C70 H66 Cd2 N6 O14 -","- C140 H132 Cd4 N12 O28 -","2","1","","Chanda, Alokananda; Mandal, Sanjay K.","Synthesis of metal–organic rectangles decorated with primary amide groups for the synergistic Lewis acid and Brønsted base heterogeneous catalysis","Catalysis Science & Technology","2025","15","21","6379","6390","10.1039/D5CY00798D","","","0.71073","MoKα","","0.026","0.0251","","","0.0733","0.0745","","","","","","1.036","","","","has coordinates","303507","2025-11-29","17:12:56",""
"1575279","5.2197","0.0003","8.8113","0.0003","11.4168","0.0006","88.594","0.003","77.55","0.005","86.718","0.004","511.86","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 S4 -","- C28 H20 S4 -","- C28 H20 S4 -","1","0.5","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0647","0.0569","","","0.1577","0.1668","","","","","","1.044","","","","has coordinates","302547","2025-10-06","08:00:11",""
"1575280","10.8606","0.0003","12.9849","0.0004","13.7224","0.0004","90","","103.074","0.003","90","","1885.02","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C112 H80 O16 -","4","1","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.09","0.0606","","","0.1402","0.1535","","","","","","1.079","","","","has coordinates","302547","2025-10-06","08:00:12",""
"1575281","10.9191","0.0004","13.1598","0.0006","13.7566","0.0005","90","","102.816","0.003","90","","1927.48","0.13","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C112 H80 O16 -","4","1","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.117","0.0602","","","0.1348","0.1585","","","","","","1.035","","","","has coordinates","302547","2025-10-06","08:00:12",""
"1575282","9.7178","0.0007","10.8952","0.0006","17.343","0.001","90","","91.835","0.006","90","","1835.3","0.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","1","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.1032","0.0819","","","0.2218","0.2384","","","","","","1.103","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575283","9.6782","0.0004","10.8375","0.0004","17.2665","0.0006","90","","92.011","0.003","90","","1809.92","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","1","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.1205","0.0993","","","0.2067","0.2171","","","","","","1.208","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575284","5.101","0.0001","9.1362","0.0001","11.3735","0.0002","89.639","0.002","77.413","0.002","87.365","0.001","516.758","0.015","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 S4 -","- C26 H20 S4 -","- C26 H20 S4 -","1","0.5","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0768","0.0752","","","0.2078","0.2086","","","","","","1.114","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575285","10.9983","0.0003","18.9426","0.0004","19.1861","0.0003","86.1432","0.0016","75.6762","0.0019","79.232","0.002","3803.78","0.15","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C208 H160 O32 -","8","4","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0672","0.0533","","","0.1528","0.163","","","","","","1.025","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575286","10.9472","0.0002","18.8237","0.0003","19.0718","0.0002","85.8795","0.0011","75.9202","0.0014","79.808","0.0014","3750.14","0.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C208 H160 O32 -","8","4","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0632","0.0503","","","0.1445","0.154","","","","","","1.026","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575287","5.2372","0.0002","8.8932","0.0003","11.4399","0.0004","88.844","0.003","77.845","0.003","86.23","0.003","519.74","0.03","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 S4 -","- C28 H20 S4 -","- C28 H20 S4 -","1","0.5","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.1014","0.0832","","","0.2136","0.2268","","","","","","1.13","","","","has coordinates","302547","2025-10-06","08:00:12",""
"1575288","5.2396","0.0002","8.8512","0.0002","11.4251","0.0003","88.761","0.002","77.638","0.003","86.513","0.003","516.6","0.03","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 S4 -","- C28 H20 S4 -","- C28 H20 S4 -","1","0.5","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0525","0.0469","","","0.1342","0.1396","","","","","","1.07","","","","has coordinates","302547","2025-10-06","08:00:12",""
"1575289","10.8892","0.0004","13.0557","0.0004","13.7463","0.0005","90","","102.879","0.004","90","","1905.09","0.12","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C112 H80 O16 -","4","1","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0958","0.0575","","","0.1349","0.1534","","","","","","1.03","","","","has coordinates","302547","2025-10-06","08:00:12",""
"1575290","9.768","0.0004","10.9262","0.0003","17.4458","0.0005","90","","91.678","0.003","90","","1861.14","0.11","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","1","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.1206","0.0888","","","0.188","0.2028","","","","","","1.162","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575291","5.0737","0.0002","9.0307","0.0002","11.309","0.0005","89.351","0.003","77.263","0.003","87.865","0.002","505.06","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 S4 -","- C26 H20 S4 -","- C26 H20 S4 -","1","0.5","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0816","0.0771","","","0.1796","0.1814","","","","","","1.182","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575292","5.0914","0.0001","9.0718","0.0001","11.3386","0.0002","89.469","0.001","77.308","0.002","87.639","0.001","510.479","0.015","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 S4 -","- C26 H20 S4 -","- C26 H20 S4 -","1","0.5","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0862","0.0808","","","0.2223","0.2241","","","","","","1.228","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575293","10.8935","0.0002","18.743","0.0004","18.9847","0.0003","85.8831","0.0014","76.1584","0.0016","79.9947","0.0018","3704.58","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C208 H160 O32 -","8","4","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0551","0.0482","","","0.1364","0.1406","","","","","","1.044","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575294","23.9688","0.0016","8.5432","0.0006","30.1063","0.0018","90","","113.366","0.003","90","","5659.3","0.7","170","","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl3 N O S Ti -","- C22 H18 Cl3 N O S Ti -","- C176 H144 Cl24 N8 O8 S8 Ti8 -","8","2","","Zhu, Guangyu; Wang, Liang; Tao, Wenjie; Hou, Hongbin; Xu, Guangqiang; Wang, Bo; Wang, Qinggang","The side-arm-effect controlled stereodivergent polymerization of 1-butene","Polymer Chemistry","2025","16","33","3675","3682","10.1039/D5PY00583C","","","1.34139","GaKα","","0.1356","0.1138","","","0.2625","0.2766","","","","","","1.14","","","","has coordinates","302795","2025-10-06","10:40:00",""
"1575295","8.607","0.002","9.769","0.003","14.479","0.004","99.66","0.012","99.136","0.012","105.067","0.013","1132.4","0.5","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 Cl3 N2 O Ti -","- C23 H21 Cl3 N2 O Ti -","- C46 H42 Cl6 N4 O2 Ti2 -","2","1","","Zhu, Guangyu; Wang, Liang; Tao, Wenjie; Hou, Hongbin; Xu, Guangqiang; Wang, Bo; Wang, Qinggang","The side-arm-effect controlled stereodivergent polymerization of 1-butene","Polymer Chemistry","2025","16","33","3675","3682","10.1039/D5PY00583C","","","1.34139","GaKα","","0.1885","0.0996","","","0.2461","0.3127","","","","","","1","","","","has coordinates","302795","2025-10-06","10:40:00",""
"1575296","9.883","0.0003","11.2698","0.0003","14.447","0.0004","105.467","0.001","94.575","0.001","115.251","0.001","1367.63","0.07","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C11.5 H9 Cl1.5 N0.5 O Ti0.5 -","- C11.5 H9 Cl1.5 N0.5 O Ti0.5 -","- C46 H36 Cl6 N2 O4 Ti2 -","4","2","","Zhu, Guangyu; Wang, Liang; Tao, Wenjie; Hou, Hongbin; Xu, Guangqiang; Wang, Bo; Wang, Qinggang","The side-arm-effect controlled stereodivergent polymerization of 1-butene","Polymer Chemistry","2025","16","33","3675","3682","10.1039/D5PY00583C","","","1.34139","GaKα","","0.0411","0.0391","","","0.1089","0.1105","","","","","","1.06","","","","has coordinates","302795","2025-10-06","10:40:00",""
"1575297","9.7237","0.0002","11.7183","0.0003","14.3455","0.0003","108.652","0.001","109.153","0.001","92.134","0.001","1444.45","0.06","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H21 Cl3 N2 O Ti -","- C27.5 H21 Cl3 N2 O Ti -","- C55 H42 Cl6 N4 O2 Ti2 -","2","1","","Zhu, Guangyu; Wang, Liang; Tao, Wenjie; Hou, Hongbin; Xu, Guangqiang; Wang, Bo; Wang, Qinggang","The side-arm-effect controlled stereodivergent polymerization of 1-butene","Polymer Chemistry","2025","16","33","3675","3682","10.1039/D5PY00583C","","","1.34139","GaKα","","0.0467","0.0389","","","0.1017","0.1064","","","","","","1.07","","","","has coordinates,has disorder","302795","2025-10-06","10:40:00",""
"1575298","13.2842","0.0007","14.0429","0.0007","13.797","0.0007","90","","93.272","0.002","90","","2569.6","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 D6 Ga2 N2 P2 -","- C54 H74 D6 Ga2 N2 P2 -","- C108 H148 D12 Ga4 N4 P4 -","2","0.5","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","","0.71073","MoKα","","0.063","0.0528","","","0.1116","0.1164","","","","","","1.171","","","","has coordinates,has disorder","301444","2025-08-04","08:09:31",""
"1575299","12.0391","0.0003","12.1205","0.0003","22.5729","0.0006","91.413","0.002","96.822","0.002","96.004","0.002","3250.28","0.14","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C75 H90 Ga2 N2 P2 -","- C75 H90 Ga2 N2 P2 -","- C150 H180 Ga4 N4 P4 -","2","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","0.71073","MoKα","","0.069","0.0485","","","0.1008","0.1089","","","","","","1.043","","","","has coordinates,has disorder","301444","2025-08-04","08:09:44",""
"1575300","14.0253","0.0001","16.5037","0.0001","26.1487","0.0001","90","","90","","90","","6052.62","0.06","100.01","0.1","100.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C70 H86 Ga2 N2 P2 -","- C70 H86 Ga2 N2 P2 -","- C280 H344 Ga8 N8 P8 -","4","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","","1.54184","CuKα","","0.0697","0.0665","","","0.1649","0.1695","","","","","","1.042","","","","has coordinates","301444","2025-08-04","08:09:47",""
"1575301","9.8258","0.0003","10.6897","0.0004","15.1671","0.0006","80.922","0.003","76.755","0.003","75.256","0.003","1491.24","0.1","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H41 Ga N P -","- C34 H41 Ga N P -","- C68 H82 Ga2 N2 P2 -","2","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","0.71073","MoKα","","0.0492","0.0391","","","0.1193","0.1278","","","","","","0.929","","","","has coordinates","301444","2025-08-04","08:10:03",""
"1575302","15.0973","0.0013","23.9872","0.001","17.0383","0.0009","90","","116.108","0.009","90","","5540.7","0.7","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H47 B F22 Ga N P -","- C60 H47 B F22 Ga N P -","- C240 H188 B4 F88 Ga4 N4 P4 -","4","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","1.54184","CuKα","","0.1397","0.1136","","","0.2778","0.2932","","","","","","1.185","","","","has coordinates,has disorder","301444","2025-08-04","08:10:13",""
"1575303","14.3929","0.0005","14.7735","0.0005","21.6915","0.0006","90","","92.238","0.003","90","","4608.8","0.3","120.01","0.11","120.01","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H41 B F15 Ga N P -","- C52 H41 B F15 Ga N P -","- C208 H164 B4 F60 Ga4 N4 P4 -","4","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","0.71073","MoKα","","0.078","0.0504","","","0.0882","0.0978","","","","","","1.043","","","","has coordinates,has disorder","301444","2025-08-04","08:10:24",""
"1575304","13.8266","0.0009","24.9376","0.0012","16.2676","0.0007","90","","111.413","0.006","90","","5221.9","0.5","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H84 B2 F42 Ga2 N2 P2 -","- C108 H84 B2 F42 Ga2 N2 P2 -","- C216 H168 B4 F84 Ga4 N4 P4 -","2","0.5","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","1.54184","CuKα","","0.1186","0.0754","","","0.1922","0.2159","","","","","","1.051","","","","has coordinates,has disorder","301444","2025-08-04","08:10:24",""
"1575305","28.6854","0.0012","8.599","0.0003","21.4708","0.001","90","","90","","90","","5296.1","0.4","120.01","0.1","120.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C56 H78 D6 Ga2 N2 P2 -","- C56 H78 D6 Ga2 N2 P2 -","- C224 H312 D24 Ga8 N8 P8 -","4","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","0.71073","MoKα","","0.0588","0.0446","","","0.0763","0.0828","","","","","","1.081","","","","has coordinates,has disorder","301444","2025-08-04","08:10:25",""
"1575306","15.4213","0.0002","17.247","0.0003","31.7812","0.0005","90","","90","","90","","8452.9","0.2","120.01","0.1","120.01","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H40 B F15 Ga N P -","- C45 H40 B F15 Ga N P -","- C360 H320 B8 F120 Ga8 N8 P8 -","8","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","0.71073","MoKα","","0.0526","0.0396","","","0.0877","0.0936","","","","","","1.074","","","","has coordinates,has disorder","301444","2025-08-04","08:10:25",""
"1575307","13.043","0.0004","12.8084","0.0004","9.2763","0.0003","90","","103.57","0.001","90","","1506.44","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cu N10 O8 -","- C30 H28 Cu N10 O8 -","- C60 H56 Cu2 N20 O16 -","2","0.5","","Shekhawat, Bhawana; Ahamed, Subuhan; Gahlaut, Puneet Singh; Ghosh, Saurav; Gautam, Deepak; Mondal, Kartik Chandra; Jana, Barun","Developing highly active Cu(ii)-triazolyl-pyridine complexes for C–H functionalization of 9H-fluorene and indole via a borrowing hydrogen strategy","Catalysis Science & Technology","2025","15","20","6001","6010","10.1039/D5CY00610D","","","0.71073","MoKα","","0.0441","0.0325","","","0.0779","0.0839","","","","","","1.027","","","","has coordinates,has disorder","303503","2025-11-29","17:11:03",""
"1575308","5.83723","0.00009","11.91509","0.00019","23.6848","0.0004","90","","90","","90","","1647.3","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Ali, Siraj Z.; Manno, Nicolás A; Shen, Jeff; Schenker, Alessia; Lipshultz, Jeffrey M.; White, Nicholas A.; Radosevich, Alexander T.","Nitrilation of carboxylic acids by P<sup>III</sup>/P<sup>V</sup>-catalysis.","Chemical science","2025","16","35","16145","16150","10.1039/d5sc05216e","","","1.54178","CuKα","","0.0323","0.0314","","","0.0809","0.0818","","","","","","1.051","","","","has coordinates","302527","2025-10-06","07:49:32",""
"1575309","10.405","0.002","11.265","0.002","11.901","0.002","103.318","0.005","104.698","0.005","109.45","0.005","1194.1","0.4","130","2","130","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N O2 -","- C2.75 H2.08333 N0.0833333 O0.166667 -","- C66 H50 N2 O4 -","24","12","","Bera, Satyajit; Bhunia, Supriya; Dolai, Anirban; Box, Sk Majid; Das, Arpan; Samanta, Subhas","Arylpyrrolylidene-indanones as readily synthesised photoswitches offering dual- and single-colour fluorescence toggling with nearly quantitative <i>E</i>/<i>Z</i> isomerisation under visible light.","Chemical science","2025","16","35","16196","16204","10.1039/d5sc04551g","","","1.54178","CuKα","","0.0844","0.0801","","","0.2222","0.2289","","","","","","1.053","","","","has coordinates","302535","2025-10-06","07:55:17",""
"1575310","12.5474","0.0002","12.5474","0.0002","21.7649","0.0003","90","","90","","120","","2967.53","0.08","103","2","103","2","","","","","","","","5","R -3 :H","-R 3","148","","1a","","- C36 H36 Cu6 N6 S6 -","- C36 H36 Cu6 N6 S6 -","- C108 H108 Cu18 N18 S18 -","3","0.166667","","Toyama, Kazuki; Tanaka, Yuya; Yoshizawa, Michito","Multinuclear Cu <sub><i>n</i></sub> S <sub><i>m</i></sub> clusters encapsulated by aromatic micelles as aqueous red-to-NIR phosphorescent ink.","Chemical science","2025","16","36","16751","16756","10.1039/d5sc04122h","","x-ray","1.54184","CuKα","","0.0507","0.0505","","","0.1364","0.1364","","","","","","1.225","","","","has coordinates","302520","2025-10-06","07:47:38",""
"1575311","22.1291","0.0003","9.5391","0.0001","18.9461","0.0003","90","","94.215","0.001","90","","3988.55","0.09","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1c","","- C36 H36 Cu6 N6 S6 -","- C36 H36 Cu6 N6 S6 -","- C144 H144 Cu24 N24 S24 -","4","0.5","","Toyama, Kazuki; Tanaka, Yuya; Yoshizawa, Michito","Multinuclear Cu <sub><i>n</i></sub> S <sub><i>m</i></sub> clusters encapsulated by aromatic micelles as aqueous red-to-NIR phosphorescent ink.","Chemical science","2025","16","36","16751","16756","10.1039/d5sc04122h","","x-ray","1.54184","CuKα","","0.0247","0.0225","","","0.0585","0.0595","","","","","","1.053","","","","has coordinates","302520","2025-10-06","07:47:38",""
"1575312","20.1984","0.0005","6.0121","0.0005","29.4619","0.001","90","","92.317","0.003","90","","3574.8","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H18 F3 N O3 -","- C21 H18 F3 N O3 -","- C168 H144 F24 N8 O24 -","8","2","","Lin, Chuiyi; Zhang, Jiwu; Zhang, Zhihan; Chong, Qinglei; Meng, Fanke","Cobalt-catalyzed diastereo- and enantioselective reductive coupling of cyclobutenes and aldehydes through umpolung reactivity.","Chemical science","2025","16","35","16250","16258","10.1039/d5sc03755g","","","1.54184","CuKα","","0.0601","0.0551","","","0.1118","0.1138","","","","","","1.136","","","","has coordinates","302538","2025-10-06","07:56:39",""
"1575313","10.5121","0.0008","12.4941","0.0006","20.0428","0.0005","90","","90","","90","","2632.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 N O4 -","- C33 H27 N O4 -","- C132 H108 N4 O16 -","4","1","","Lin, Chuiyi; Zhang, Jiwu; Zhang, Zhihan; Chong, Qinglei; Meng, Fanke","Cobalt-catalyzed diastereo- and enantioselective reductive coupling of cyclobutenes and aldehydes through umpolung reactivity.","Chemical science","2025","16","35","16250","16258","10.1039/d5sc03755g","","","1.54184","CuKα","","0.0293","0.0275","","","0.0694","0.0702","","","","","","1.029","","","","has coordinates","302538","2025-10-06","07:56:40",""
"1575314","18.0287","0.0011","8.6686","0.0005","19.3834","0.0012","90","","115.664","0.002","90","","2730.5","0.3","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","C22 H24 Cl F6 N3 O4 P Pd0.50 S2","'C22 H24 Cl F6 N3 O4 P Pd0.50 S2'","","- C22 H24 Cl F6 N3 O4 P Pd0.5 S2 -","- C22 H24 Cl F6 N3 O4 P Pd0.5 S2 -","- C88 H96 Cl4 F24 N12 O16 P4 Pd2 S8 -","4","1","","Qadir, Muhammad I.; Chacón-Rosales, Gustavo; Ebersol, Camila P.; Abarca, Gabriel; Matias, Pedro H. F.; de Oliveira, Heibbe Cristhian B.; Pontes, Renato B.; Stieler, Rafael; Dupont, Jairton","Surface palladium nanoparticles in ionic liquids modified with phosphorus ligands for enhanced catalytic semi-hydrogenation.","Nanoscale","2025","17","28","16705","16712","10.1039/d5nr00789e","","x-ray","0.71073","MoKα","","0.0279","0.0232","","","0.055","0.0574","","","","","","1.065","","","","has coordinates","301465","2025-08-05","01:30:59",""
"1575315","12.1313","0.0002","13.8706","0.0002","18.5739","0.0002","88.012","0.001","77.103","0.001","78.727","0.001","2987.65","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","BO-2DBT","","- C38 H33 B O2 S -","- C38 H33 B O2 S -","- C152 H132 B4 O8 S4 -","4","2","","Chen, Rui; Li, Shengyu; Huang, Hao; Tong, Xingwen; Liu, Yuchao; Ren, Zhongjie; Ying, Shian; Liu, Liqun; Yan, Shouke","Achieving high efficiency ultrapure violet OLEDs with a CIE <sub><i>y</i></sub> coordinate of below 0.015 through precise manipulation of peripheral heavy atom sulfur.","Chemical science","2025","16","35","16304","16313","10.1039/d5sc03546e","","x-ray","1.54184","CuKα","","0.0795","0.0711","","","0.2116","0.2232","","","","","","1.083","","","","has coordinates","302534","2025-10-06","07:54:58",""
"1575316","12.9176","0.0005","18.834","0.0005","13.4181","0.0005","90","","115.122","0.004","90","","2955.7","0.2","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","BO-4DBT","","- C38 H33 B O2 S -","- C38 H33 B O2 S -","- C152 H132 B4 O8 S4 -","4","1","","Chen, Rui; Li, Shengyu; Huang, Hao; Tong, Xingwen; Liu, Yuchao; Ren, Zhongjie; Ying, Shian; Liu, Liqun; Yan, Shouke","Achieving high efficiency ultrapure violet OLEDs with a CIE <sub><i>y</i></sub> coordinate of below 0.015 through precise manipulation of peripheral heavy atom sulfur.","Chemical science","2025","16","35","16304","16313","10.1039/d5sc03546e","","x-ray","0.71073","MoKα","","0.0856","0.0722","","","0.2022","0.2091","","","","","","1.131","","","","has coordinates","302534","2025-10-06","07:54:59",""
"1575317","20.8427","0.0007","7.5744","0.0002","7.1881","0.0003","90","","97.696","0.003","90","","1124.57","0.07","100","0.1","100","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H28 Br6 N2 Sn -","- C12 H28 Br6 N2 Sn -","- C24 H56 Br12 N4 Sn2 -","2","0.25","","Wang, Yue; Cheng, Puxin; Han, Wenqing; Guan, Junjie; Li, Quanwen; Wang, Zhihua; Wang, Peihan; Zheng, Yongshen; Xu, Jialiang","Regulation of metal valence states for enhancing second harmonic generation performance of chiral tin halides.","Materials horizons","2025","12","21","9106","9113","10.1039/d5mh01023c","","x-ray","1.54184","CuKα","","0.0338","0.0322","","","0.0917","0.0939","","","","","","1.07","","","","has coordinates,has disorder","303974","2025-11-29","22:23:06",""
"1575318","9.8482","0.0001","8.2935","0.0001","15.0756","0.0002","90","","102.233","0.002","90","","1203.36","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Br3 N Sn -","- C6 H14 Br3 N Sn -","- C24 H56 Br12 N4 Sn4 -","4","1","","Wang, Yue; Cheng, Puxin; Han, Wenqing; Guan, Junjie; Li, Quanwen; Wang, Zhihua; Wang, Peihan; Zheng, Yongshen; Xu, Jialiang","Regulation of metal valence states for enhancing second harmonic generation performance of chiral tin halides.","Materials horizons","2025","12","21","9106","9113","10.1039/d5mh01023c","","x-ray","1.54178","CuKα","","0.0403","0.0399","","","0.1062","0.1064","","","","","","1.209","","","","has coordinates,has disorder","303974","2025-11-29","22:23:07",""
"1575319","20.8576","0.0005","7.5452","0.0002","7.1743","0.0002","90","","97.556","0.002","90","","1119.25","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","A2SnBr6","","- C12 H28 Br6 N2 Sn -","- C12 H28 Br6 N2 Sn -","- C24 H56 Br12 N4 Sn2 -","2","0.5","","Wang, Yue; Cheng, Puxin; Han, Wenqing; Guan, Junjie; Li, Quanwen; Wang, Zhihua; Wang, Peihan; Zheng, Yongshen; Xu, Jialiang","Regulation of metal valence states for enhancing second harmonic generation performance of chiral tin halides.","Materials horizons","2025","12","21","9106","9113","10.1039/d5mh01023c","","x-ray","1.54184","CuKα","","0.0286","0.0285","","","0.0814","0.0816","","","","","","1.103","","","","has coordinates","303974","2025-11-29","22:23:07",""
"1575320","6.3412","0.0001","12.0486","0.0001","25.9872","0.0002","90","","90","","90","","1985.49","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","A2SnBr4","","- C12 H28 Br4 N2 Sn -","- C12 H28 Br4 N2 Sn -","- C48 H112 Br16 N8 Sn4 -","4","1","","Wang, Yue; Cheng, Puxin; Han, Wenqing; Guan, Junjie; Li, Quanwen; Wang, Zhihua; Wang, Peihan; Zheng, Yongshen; Xu, Jialiang","Regulation of metal valence states for enhancing second harmonic generation performance of chiral tin halides.","Materials horizons","2025","12","21","9106","9113","10.1039/d5mh01023c","","x-ray","1.54184","CuKα","","0.0166","0.0165","","","0.0444","0.0444","","","","","","1.107","","","","has coordinates","303974","2025-11-29","22:23:07",""
"1575321","20.8205","0.0004","7.5406","0.0002","7.167","0.0001","90","","97.444","0.002","90","","1115.73","0.04","100","0.1","100","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","A2SnBr6","","- C12 H28 Br6 N2 Sn -","- C12 H28 Br6 N2 Sn -","- C24 H56 Br12 N4 Sn2 -","2","0.5","","Wang, Yue; Cheng, Puxin; Han, Wenqing; Guan, Junjie; Li, Quanwen; Wang, Zhihua; Wang, Peihan; Zheng, Yongshen; Xu, Jialiang","Regulation of metal valence states for enhancing second harmonic generation performance of chiral tin halides.","Materials horizons","2025","12","21","9106","9113","10.1039/d5mh01023c","","x-ray","1.54184","CuKα","","0.0335","0.033","","","0.0847","0.0865","","","","","","0.9421","","","","has coordinates","303974","2025-11-29","22:23:07",""
"1575322","6.3457","0.0001","12.0368","0.0002","25.9787","0.0004","90","","90","","90","","1984.3","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","R2SnBr4","","- C12 H28 Br4 N2 Sn -","- C12 H28 Br4 N2 Sn -","- C48 H112 Br16 N8 Sn4 -","4","1","","Wang, Yue; Cheng, Puxin; Han, Wenqing; Guan, Junjie; Li, Quanwen; Wang, Zhihua; Wang, Peihan; Zheng, Yongshen; Xu, Jialiang","Regulation of metal valence states for enhancing second harmonic generation performance of chiral tin halides.","Materials horizons","2025","12","21","9106","9113","10.1039/d5mh01023c","","x-ray","1.54184","CuKα","","0.0191","0.0185","","","0.0436","0.0438","","","","","","1.0232","","","","has coordinates","303974","2025-11-29","22:23:07",""
"1575323","5.171","0.0004","12.9028","0.001","19.7324","0.0015","90","","94.42","0.004","90","","1312.64","0.18","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","MO1-05D from Acetone/heptane all-para-O2NC6H4SO2NHC6H4OMe","","","- C13 H12 N2 O5 S -","- C13 H12 N2 O5 S -","- C52 H48 N8 O20 S4 -","4","1","","Oblazny, Mark; Hamaker, Christhoper G.","Structural Comparison of Three N-(4-Methoxyphenyl)-Nitrobenzenesulfonamide Derivatives","Crystals","2025","15","8","673","","10.3390/cryst15080673","","x-ray","0.71073","MoKα","","0.0302","0.0301","","","0.0905","0.0905","","","","","","1.156","","","","has coordinates","301654","2025-08-06","05:38:42",""
"1575324","20.5686","0.0007","5.1731","0.0002","13.0803","0.0005","90","","107.76","0.0016","90","","1325.46","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MO1-06C","","","- C13 H12 N2 O5 S -","- C13 H12 N2 O5 S -","- C52 H48 N8 O20 S4 -","4","1","","Oblazny, Mark; Hamaker, Christhoper G.","Structural Comparison of Three N-(4-Methoxyphenyl)-Nitrobenzenesulfonamide Derivatives","Crystals","2025","15","8","673","","10.3390/cryst15080673","","x-ray","0.71073","MoKα","","0.0281","0.0277","","","0.0746","0.075","","","","","","1.052","","","","has coordinates","301655","2025-08-06","05:39:17",""
"1575325","12.0195","0.0007","7.2684","0.0004","15.0297","0.0008","90","","91.529","0.003","90","","1312.57","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MO1-07A-F DEC/Hex evaporation 2-NO2-C6H4-SO2-NH-C6H4-4OMe","","","- C13 H12 N2 O5 S -","- C13 H12 N2 O5 S -","- C52 H48 N8 O20 S4 -","4","1","","Oblazny, Mark; Hamaker, Christhoper G.","Structural Comparison of Three N-(4-Methoxyphenyl)-Nitrobenzenesulfonamide Derivatives","Crystals","2025","15","8","673","","10.3390/cryst15080673","","x-ray","0.71073","MoKα","","0.0299","0.0277","","","0.0712","0.0729","","","","","","1.065","","","","has coordinates","301656","2025-08-06","05:39:36",""
"1575326","10.9402","0.0003","12.2115","0.0003","15.0631","0.0004","90","","107.479","0.001","90","","1919.46","0.09","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 Cu N2 O4 -","- C19 H26 Cu N2 O4 -","- C76 H104 Cu4 N8 O16 -","4","0.5","","Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian","Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate","Crystals","2025","15","8","690","","10.3390/cryst15080690","","","0.71073","MoKα","","0.0369","0.0334","","","0.0808","0.0826","","","","","","1.088","","","","has coordinates","301657","2025-08-06","05:40:03",""
"1575327","9.1804","0.0008","11.2336","0.001","13.2041","0.0011","78.857","0.003","86.404","0.002","86.933","0.002","1332.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H43 Cl15 Cu2 N2 O8 -","- C37 H43 Cl15 Cu2 N2 O8 -","- C37 H43 Cl15 Cu2 N2 O8 -","1","0.5","","Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian","Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate","Crystals","2025","15","8","690","","10.3390/cryst15080690","","","0.71073","MoKα","","0.0586","0.0527","","","0.1529","0.16","","","","","","1.083","","","","has coordinates,has disorder","301658","2025-08-06","05:40:22",""
"1575328","8.2115","0.0003","8.6888","0.0003","8.7538","0.0003","69.733","0.001","62.251","0.001","76.494","0.001","516.55","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cu N2 O4 -","- C22 H24 Cu N2 O4 -","- C22 H24 Cu N2 O4 -","1","0.5","","Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian","Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate","Crystals","2025","15","8","690","","10.3390/cryst15080690","","x-ray","0.71073","MoKα","","0.0418","0.0389","","","0.0887","0.0912","","","","","","1.057","","","","has coordinates","301659","2025-08-06","05:40:56",""
"1575329","8.6807","0.0003","10.2923","0.0005","11.4344","0.0005","112.053","0.001","110.583","0.001","96.89","0.002","848.22","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Br Cu N O4 -","- C15 H18 Br Cu N O4 -","- C30 H36 Br2 Cu2 N2 O8 -","2","1","","Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian","Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate","Crystals","2025","15","8","690","","10.3390/cryst15080690","","","0.71073","MoKα","","0.0252","0.0235","","","0.0607","0.0615","","","","","","1.044","","","","has coordinates","301660","2025-08-06","05:41:21",""
"1575330","12.453","0.001","14.0998","0.0011","15.3886","0.0012","88.207","0.003","74.608","0.003","89.364","0.003","2603.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H62 Cu3 N4 O12 -","- C54 H62 Cu3 N4 O12 -","- C108 H124 Cu6 N8 O24 -","2","1","","Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian","Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate","Crystals","2025","15","8","690","","10.3390/cryst15080690","","","0.71073","MoKα","","0.0444","0.0379","","","0.1102","0.1143","","","","","","1.046","","","","has coordinates","301661","2025-08-06","05:41:47",""
"1575331","11.1929","0.0004","14.2606","0.0006","11.9295","0.0005","90","","92.691","0.001","90","","1902.06","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Cu N2 O4 -","- C20 H22 Cu N2 O4 -","- C80 H88 Cu4 N8 O16 -","4","2","","Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian","Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate","Crystals","2025","15","8","690","","10.3390/cryst15080690","","","0.71073","MoKα","","0.0461","0.0389","","","0.0931","0.0968","","","","","","1.033","","","","has coordinates","301662","2025-08-06","05:42:23",""
"1575332","7.7444","0.0003","8.1821","0.0003","13.736","0.0005","93.956","0.001","98.174","0.001","117.644","0.001","754.1","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 Cu N O4 -","- C15 H19 Cu N O4 -","- C30 H38 Cu2 N2 O8 -","2","1","","Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian","Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate","Crystals","2025","15","8","690","","10.3390/cryst15080690","","","0.71073","MoKα","","0.0241","0.0233","","","0.0651","0.0656","","","","","","1.073","","","","has coordinates","301663","2025-08-06","05:42:45",""
"1575333","21.7043","0.0004","9.5368","0.0002","17.9698","0.0004","90","","116.627","0.001","90","","3325.08","0.12","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H21 Cu N O4 -","- C16 H21 Cu N O4 -","- C128 H168 Cu8 N8 O32 -","8","1","","Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian","Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate","Crystals","2025","15","8","690","","10.3390/cryst15080690","","","0.71073","MoKα","","0.0258","0.0241","","","0.0731","0.0743","","","","","","1.035","","","","has coordinates","301664","2025-08-06","05:43:04",""
"1575334","18.373","0.004","6.2292","0.0011","19.881","0.004","90","","109.964","0.006","90","","2138.6","0.7","295","","295","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 -","- C16 H10 -","- C128 H80 -","8","2","","Karabinaki, Olga; Papastylianos, Stylianos; Padrón, Nayra Machín; Hatzidimitriou, Antonios; Christofilos, Dimitrios; Arvanitidis, John","Pressure Response of Crystalline Fluoranthene Probed by Raman Spectroscopy","Crystals","2025","15","8","697","","10.3390/cryst15080697","","","0.71073","MoKα","","0.0779","0.0472","","0.0837","0.0787","0.0787","","","","","","1","","","","has coordinates","301665","2025-08-06","05:43:28",""
"1575335","6.1325","0.0004","8.2667","0.0005","16.0523","0.0011","86.829","0.002","82.507","0.002","84.603","0.002","802.49","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","4'-phenyl-1',4'-dihydro-2,2':6',2''-terpyridine","","- C21 H17 N3 -","- C21 H17 N3 -","- C42 H34 N6 -","2","1","","Sedykh, Alexander; Zhernakov, Maksim; Becker, Mariia; Kurth, Dirk G.; Müller-Buschbaum, Klaus","Crystal Structure of 4′-Phenyl-1′,4′-Dihydro-2,2′:6′,2″-Terpyridine: An Intermediate from the Synthesis of Phenylterpyridine","Crystals","2025","15","7","619","","10.3390/cryst15070619","","","0.71073","MoKα","","0.0763","0.0506","","","0.1126","0.1248","","","","","","1.039","","","","has coordinates","301666","2025-08-06","05:43:48",""
"1575336","9.335","0.0011","7.6154","0.0007","12.7755","0.0015","90","","102.794","0.004","90","","885.66","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C42 H36 N4 O8 -","2","1","","Kishkentayeva, Anarkul; Kopbalina, Kymbat; Shaimerdenova, Zhanar; Shults, Elvira; Gatilov, Yury; Pankin, Dmitrii; Smirnov, Mikhail; Povolotckaia, Anastasia; Turdybekov, Dastan; Mazhenov, Nurlan","Investigation of N-(2-oxo-2H-chromen-3-carbonyl)cytisine's Crystal Structure and Optical Properties.","Materials (Basel, Switzerland)","2025","18","13","3153","","10.3390/ma18133153","","","0.71073","MoKα","","0.0733","0.0448","","","0.1034","0.119","","","","","","1.02","","","","has coordinates","301667","2025-08-06","11:28:22",""
"1575337","16.1192","0.0018","8.7748","0.0011","13.7546","0.0018","90","","90","","90","","1945.5","0.4","273.15","","273.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H12 D F5 N2 O5 S2 -","- C16 H12 D F5 N2 O5 S2 -","- C64 H48 D4 F20 N8 O20 S8 -","4","1","","Sun, Chao; Shen, Yinpu; Li, Heyin; Wang, Zhen; Li, Yifan; Huang, Mengjun; Zou, Zhenlei; Liu, Jing; Liu, Ao; Pan, Yi; Zhang, Weigang; Wang, Yi","A practical photocatalytic strategy for radical (deuterio)difluoromethylation using imidazolium reagents.","Chemical science","2025","16","35","16039","16046","10.1039/d5sc02691a","","","1.54178","CuKα","","0.0601","0.0591","","","0.1563","0.1574","","","","","","1.038","","","","has coordinates","302532","2025-10-06","07:51:59",""
"1575338","15.9978","0.0006","8.6598","0.0003","13.6748","0.0005","90","","90","","90","","1894.48","0.12","193","","193","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H13 F5 N2 O5 S2 -","- C16 H13 F5 N2 O5 S2 -","- C64 H52 F20 N8 O20 S8 -","4","1","","Sun, Chao; Shen, Yinpu; Li, Heyin; Wang, Zhen; Li, Yifan; Huang, Mengjun; Zou, Zhenlei; Liu, Jing; Liu, Ao; Pan, Yi; Zhang, Weigang; Wang, Yi","A practical photocatalytic strategy for radical (deuterio)difluoromethylation using imidazolium reagents.","Chemical science","2025","16","35","16039","16046","10.1039/d5sc02691a","","","0.71073","MoKα","","0.0572","0.0563","","","0.1136","0.1143","","","","","","1.211","","","","has coordinates","302532","2025-10-06","07:52:00",""
"1575339","18.6622","0.0013","18.6622","0.0013","21.2684","0.0016","90","","90","","90","","7407.3","0.9","296.15","","296.15","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C12 H23 Co N4 O7 -","- C12 H17 Co N4 O4 -","- C192 H272 Co16 N64 O64 -","16","0.5","","Tang, Baobing; Yu, Xueyue; Li, Guanghua; Liu, Xin; Li, Jiantang; Liu, Yunling","Ambidextrous fine-tuning of zeolite-like hydrogen-bonded organic frameworks (HOFs) <i>via</i> scalable green synthesis for efficient biogas upgrading.","Chemical science","2025","16","41","19130","19139","10.1039/d5sc02892b","","","0.71073","MoKα","","0.0585","0.036","","","0.0989","0.1133","","","","","","1.012","","","","has coordinates,has disorder","303600","2025-11-29","18:15:44",""
"1575340","17.2801","0.0003","17.2801","0.0003","23.4245","0.0011","90","","90","","90","","6994.6","0.4","200","","200","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C88 H120 Co8 N32 O32 -","- C88 H120 Co8 N32 O32 -","- C176 H240 Co16 N64 O64 -","2","0.0625","","Tang, Baobing; Yu, Xueyue; Li, Guanghua; Liu, Xin; Li, Jiantang; Liu, Yunling","Ambidextrous fine-tuning of zeolite-like hydrogen-bonded organic frameworks (HOFs) <i>via</i> scalable green synthesis for efficient biogas upgrading.","Chemical science","2025","16","41","19130","19139","10.1039/d5sc02892b","","","0.71073","MoKα","","0.0839","0.0712","","","0.2133","0.2286","","","","","","1.088","","","","has coordinates,has disorder","303600","2025-11-29","18:15:47",""
"1575341","10.21433","0.00015","11.54718","0.00019","16.0905","0.0003","85.3418","0.0013","78.3142","0.0013","77.3648","0.0013","1812.12","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H33 Co N3 O7 -","- C42 H33 Co N3 O7 -","- C84 H66 Co2 N6 O14 -","2","1","","Praharaj, Amrutanshu; Kempasiddaiah, Manjunatha; Manna, Biplab Kumar; Samanta, Rajib; Trivedi, Ravi Kumar; Khairwal, Tushar; Barman, Sudip","Two-dimensional [Co(btbH)<sub>2</sub>(dpe)<sub>2</sub>]·DMF metal-organic framework-derived low-cost nanocomposites for electrochemical nitrate reduction for ammonia production.","Nanoscale","2025","17","33","19302","19316","10.1039/d5nr02589c","","x-ray","1.54184","CuKα","","0.0542","0.0459","","","0.1225","0.1251","","","","","","1.072","","","","has coordinates,has disorder","302706","2025-10-06","10:02:52",""
"1575342","16.6646","0.0002","15.0396","0.0001","18.7902","0.0002","90","","113.962","0.002","90","","4303.49","0.1","200","0.1","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H28 Cl F2 N O9 -","- C17 H28 Cl F2 N O9 -","- C136 H224 Cl8 F16 N8 O72 -","8","2","","Liu, Feiyan; Wu, Yaozhen; Chen, Guoyong; Yan, Guobing; Li, Xiancai; Wei, Zhenhong","Benzylamine cation-directed introduction of a polar structure in a stator-rotor crown ether system.","Chemical communications (Cambridge, England)","2025","61","73","13928","13931","10.1039/d5cc04125b","","","1.54178","CuKα","","0.0545","0.0505","","","0.1449","0.1493","","","","","","1.069","","","","has coordinates,has disorder","302404","2025-10-06","06:52:44",""
"1575343","8.4791","0.0005","15.2313","0.0011","17.2552","0.001","90","","91.612","0.005","90","","2227.6","0.2","299.69","0.1","299.69","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H28 Cl F2 N O9 -","- C17 H28 Cl F2 N O8.996 -","- C68 H112 Cl4 F8 N4 O35.984 -","4","1","","Liu, Feiyan; Wu, Yaozhen; Chen, Guoyong; Yan, Guobing; Li, Xiancai; Wei, Zhenhong","Benzylamine cation-directed introduction of a polar structure in a stator-rotor crown ether system.","Chemical communications (Cambridge, England)","2025","61","73","13928","13931","10.1039/d5cc04125b","","x-ray","0.71073","MoKα","","0.0721","0.0596","","","0.1711","0.1818","","","","","","1.037","","","","has coordinates,has disorder","302404","2025-10-06","06:52:46",""
"1575344","15.889","0.0005","18.3681","0.0005","15.115","0.0004","90","","90","","90","","4411.3","0.2","199.99","0.1","199.99","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H28 Cl2 F N O9 -","- C17 H28 Cl2 F N O9 -","- C136 H224 Cl16 F8 N8 O72 -","8","2","","Liu, Feiyan; Wu, Yaozhen; Chen, Guoyong; Yan, Guobing; Li, Xiancai; Wei, Zhenhong","Benzylamine cation-directed introduction of a polar structure in a stator-rotor crown ether system.","Chemical communications (Cambridge, England)","2025","61","73","13928","13931","10.1039/d5cc04125b","","x-ray","0.71073","MoKα","","0.0628","0.0488","","","0.1331","0.1431","","","","","","1.037","","","","has coordinates,has disorder","302404","2025-10-06","06:52:55",""
"1575345","40.0687","0.0013","40.0687","0.0013","20.3005","0.0011","90","","90","","120","","28226","2","193.15","","193.15","","","","","","","","","6","P 6/m m m","-P 6 2","191","","HIAM-4062","","- C68 H53 N5 O21 S Zr3 -","- C63 H42 N4 O20 S Zr3 -","- C378 H252 N24 O120 S6 Zr18 -","6","0.25","","Chu, Jin-Peng; Ma, Zhen-Sha; Xia, Jun; Zhou, Kang; Zhang, Zhi-Qiang; Liu, Xiao-Yuan","A hexatopic-carboxylate-based <b>csq</b> type luminescent zirconium-organic framework for the detection of glutathione.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13035","13039","10.1039/d5dt01810b","","","1.34139","GaKα","","0.0807","0.0601","","","0.178","0.1919","","","","","","1.018","","","","has coordinates,has disorder","302665","2025-10-06","09:37:40",""
"1575346","9.7905","0.0002","10.0718","0.0003","19.157","0.0005","90","","101.244","0.001","90","","1852.77","0.08","102","2","102","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F2 N2 O -","- C24 H18 F2 N2 O -","- C96 H72 F8 N8 O4 -","4","1","","Chauhan, Rahul; Kukreti, Prashant; Sharma, Keshav; Singh, Ovender; Ghosh, Kaushik","Well-defined zinc(ii) catalysts for sustainable synthesis of bis(indolyl)methanes via the activation of aromatic and aliphatic alcohols","Catalysis Science & Technology","2025","15","22","6693","6702","10.1039/D5CY00765H","","","0.71073","MoKα","","0.0647","0.0458","","","0.1069","0.1192","","","","","","1.032","","","","has coordinates","303499","2025-11-29","17:06:44",""
"1575347","11.1239","0.0002","12.7204","0.0002","13.2024","0.0002","63.376","0.001","66.687","0.001","81.235","0.001","1533","0.05","102","0.2","102","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 N2 -","- C20 H18 N2 -","- C80 H72 N8 -","4","2","","Chauhan, Rahul; Kukreti, Prashant; Sharma, Keshav; Singh, Ovender; Ghosh, Kaushik","Well-defined zinc(ii) catalysts for sustainable synthesis of bis(indolyl)methanes via the activation of aromatic and aliphatic alcohols","Catalysis Science & Technology","2025","15","22","6693","6702","10.1039/D5CY00765H","","","0.71073","MoKα","","0.0643","0.0542","","","0.1289","0.138","","","","","","1.036","","","","has coordinates,has disorder","303499","2025-11-29","17:06:48",""
"1575348","14.4049","0.0002","18.5983","0.0003","20.5244","0.0003","90","","101.301","0.001","90","","5392.01","0.14","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C107 H99 Cl21 N12 -","- C107 H99 Cl21 N12 -","- C214 H198 Cl42 N24 -","2","1","","Chauhan, Rahul; Kukreti, Prashant; Sharma, Keshav; Singh, Ovender; Ghosh, Kaushik","Well-defined zinc(ii) catalysts for sustainable synthesis of bis(indolyl)methanes via the activation of aromatic and aliphatic alcohols","Catalysis Science & Technology","2025","15","22","6693","6702","10.1039/D5CY00765H","","","0.71073","MoKα","","0.0659","0.0557","","","0.1337","0.1432","","","","","","1.025","","","","has coordinates","303499","2025-11-29","17:06:48",""
"1575349","11.5413","0.0006","10.3509","0.0005","17.336","0.0009","90","","90.988","0.002","90","","2070.7","0.18","103","2","103","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C104 H96 N8 O12 -","4","1","","Chauhan, Rahul; Kukreti, Prashant; Sharma, Keshav; Singh, Ovender; Ghosh, Kaushik","Well-defined zinc(ii) catalysts for sustainable synthesis of bis(indolyl)methanes via the activation of aromatic and aliphatic alcohols","Catalysis Science & Technology","2025","15","22","6693","6702","10.1039/D5CY00765H","","","0.71073","MoKα","","0.0599","0.0448","","","0.0976","0.1077","","","","","","1.045","","","","has coordinates","303499","2025-11-29","17:06:48",""
"1575350","13.4176","0.0014","10.0308","0.001","20.418","0.002","90","","90.608","0.004","90","","2747.9","0.5","300","2","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Br2 N7 Zn -","- C27 H23 Br2 N7 Zn -","- C108 H92 Br8 N28 Zn4 -","4","1","","Chauhan, Rahul; Kukreti, Prashant; Sharma, Keshav; Singh, Ovender; Ghosh, Kaushik","Well-defined zinc(ii) catalysts for sustainable synthesis of bis(indolyl)methanes via the activation of aromatic and aliphatic alcohols","Catalysis Science & Technology","2025","15","22","6693","6702","10.1039/D5CY00765H","","","0.71073","MoKα","","0.0607","0.033","","","0.0663","0.0755","","","","","","1.005","","","","has coordinates","303499","2025-11-29","17:06:48",""
"1575351","12.9508","0.0005","12.6674","0.0005","15.626","0.0006","90","","92.365","0.002","90","","2561.31","0.17","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Cl2 N7 Zn -","- C27 H23 Cl2 N7 Zn -","- C108 H92 Cl8 N28 Zn4 -","4","1","","Chauhan, Rahul; Kukreti, Prashant; Sharma, Keshav; Singh, Ovender; Ghosh, Kaushik","Well-defined zinc(ii) catalysts for sustainable synthesis of bis(indolyl)methanes via the activation of aromatic and aliphatic alcohols","Catalysis Science & Technology","2025","15","22","6693","6702","10.1039/D5CY00765H","","","0.71073","MoKα","","0.051","0.0438","","","0.1092","0.1153","","","","","","1.052","","","","has coordinates","303499","2025-11-29","17:06:48",""
"1575352","20.8911","0.0004","16.258","0.0004","23.8268","0.0006","90","","115.63","0.002","90","","7296.4","0.3","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H27 Cl2 N7 Zn -","- C35 H27 Cl2 N7 Zn -","- C280 H216 Cl16 N56 Zn8 -","8","1","","Chauhan, Rahul; Kukreti, Prashant; Sharma, Keshav; Singh, Ovender; Ghosh, Kaushik","Well-defined zinc(ii) catalysts for sustainable synthesis of bis(indolyl)methanes via the activation of aromatic and aliphatic alcohols","Catalysis Science & Technology","2025","15","22","6693","6702","10.1039/D5CY00765H","","","0.71073","MoKα","","0.0439","0.0356","","","0.0856","0.09","","","","","","1.043","","","","has coordinates","303499","2025-11-29","17:06:48",""
"1575353","40.3192","0.0008","12.8277","0.0002","18.5963","0.0003","90","","100.276","0.002","90","","9463.8","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H60 Ce F2 N4 O3 -","- C53 H60 Ce F2 N4 O3 -","- C424 H480 Ce8 F16 N32 O24 -","8","1","","Yang, Qiaomu; Yu, Xiaojuan; Lapsheva, Ekaterina; Pandey, Pragati; Smith, Patrick W.; Gupta, Himanshu; Gau, Michael R.; Carroll, Patrick J.; Minasian, Stefan G.; Autschbach, Jochen; Schelter, Eric J.","Comparison of Ce(iv)/Th(iv)-alkynyl complexes and observation of a <i>trans</i>-influence ligand series for Ce(iv).","Chemical science","2025","16","36","16597","16609","10.1039/d5sc03222a","","x-ray","0.71073","MoKα","","0.0521","0.0365","","","0.0879","0.0945","","","","","","1.064","","","","has coordinates,has disorder","302521","2025-10-06","07:47:56",""
"1575354","11.9331","0.0003","17.7463","0.0004","21.5867","0.0009","90","","92.847","0.003","90","","4565.7","0.2","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39.5 H57 Cl3 N4 O3 Si Th -","- C39.5 H57 Cl3 N4 O3 Si Th -","- C158 H228 Cl12 N16 O12 Si4 Th4 -","4","2","","Yang, Qiaomu; Yu, Xiaojuan; Lapsheva, Ekaterina; Pandey, Pragati; Smith, Patrick W.; Gupta, Himanshu; Gau, Michael R.; Carroll, Patrick J.; Minasian, Stefan G.; Autschbach, Jochen; Schelter, Eric J.","Comparison of Ce(iv)/Th(iv)-alkynyl complexes and observation of a <i>trans</i>-influence ligand series for Ce(iv).","Chemical science","2025","16","36","16597","16609","10.1039/d5sc03222a","","x-ray","0.71073","MoKα","","0.0757","0.0601","","","0.1412","0.1475","","","","","","1.034","","","","has coordinates,has disorder","302521","2025-10-06","07:48:07",""
"1575355","9.6747","0.0002","24.1665","0.0005","18.4888","0.0004","90","","103.631","0.002","90","","4200.99","0.16","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40.75 H58.5 Ce N4 O3 Si -","- C40.75 H58.5 Ce N4 O3 Si -","- C163 H234 Ce4 N16 O12 Si4 -","4","1","","Yang, Qiaomu; Yu, Xiaojuan; Lapsheva, Ekaterina; Pandey, Pragati; Smith, Patrick W.; Gupta, Himanshu; Gau, Michael R.; Carroll, Patrick J.; Minasian, Stefan G.; Autschbach, Jochen; Schelter, Eric J.","Comparison of Ce(iv)/Th(iv)-alkynyl complexes and observation of a <i>trans</i>-influence ligand series for Ce(iv).","Chemical science","2025","16","36","16597","16609","10.1039/d5sc03222a","","x-ray","0.71073","MoKα","","0.0639","0.0555","","","0.1226","0.1254","","","","","","1.225","","","","has coordinates,has disorder","302521","2025-10-06","07:48:07",""
"1575356","5.4128","0.0004","8.147","0.0007","11.9744","0.0011","90","","90","","90","","528.05","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0142","0.0138","","","0.0306","0.0307","","","","","","1.1299","","","","has coordinates","302533","2025-10-06","07:54:12",""
"1575357","6.7946","0.0003","8.7946","0.0005","17.4457","0.0009","90","","90","","90","","1042.48","0.09","108","","108","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","neutron","0.85","neutron","","0.0449","0.0519","","0.0212","0.0214","0.0212","","","","","","1.2196","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575358","5.0877","0.0002","5.8827","0.0002","6.5179","0.0002","96.464","0.001","103.867","0.001","102.09","0.001","182.448","0.011","288","1","288","1","","","","","","","","5","P 1","P 1","1","","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0223","0.0209","","","0.0402","0.0411","","","","","","1.1446","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575359","9.4285","0.0008","10.0829","0.001","17.059","0.0018","97.899","0.004","90.41","0.003","115.472","0.003","1446.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 S -","- C19 H16 S -","- C76 H64 S4 -","4","2","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","neutron","0.85","neutron","","0.0652","0.0805","","0.0359","0.0385","0.0359","","","","","","1.3676","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575360","6.8342","0.0002","8.8143","0.0003","17.9688","0.0007","90","","90","","90","","1082.42","0.06","298","1","298","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0558","0.0385","","","0.087","0.099","","","","","","1.0493","","","","has coordinates,has disorder","302533","2025-10-06","07:54:17",""
"1575361","5.0339","0.0005","5.7865","0.0005","6.4524","0.0006","95.908","0.003","103.03","0.003","102.643","0.003","176.36","0.03","109","1","109","1","","","","","","","","5","P 1","P 1","1","","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0125","0.0124","","","0.0251","0.0251","","","","","","1.0267","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575362","5.1467","0.0003","14.1643","0.0008","16.5915","0.001","90","","96.929","0.002","90","","1200.68","0.12","100","1","100","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C4 H6 O4 S -","- C4 H6 O4 S -","- C32 H48 O32 S8 -","8","2","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0404","0.0337","","","0.0618","0.0646","","","","","","1.0253","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575363","6.7827","0.0003","8.7826","0.0003","17.4217","0.0008","90","","90","","90","","1037.81","0.08","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.018","0.0166","","","0.0304","0.0309","","","","","","1.059","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575364","3.8488","0.0005","6.0156","0.0006","14.45","0.0016","91.181","0.004","93.062","0.004","92.938","0.004","333.55","0.07","106","2","106","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 O2 S -","- C7 H6 O2 S -","- C14 H12 O4 S2 -","2","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0262","0.0224","","","0.0482","0.05","","","","","","1.0837","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575365","7.8812","0.0005","5.9679","0.0004","15.0099","0.0011","90","","100.382","0.003","90","","694.42","0.08","305","1","305","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 O2 S -","- C7 H6 O2 S -","- C28 H24 O8 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0458","0.0325","","","0.0685","0.075","","","","","","1.1002","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575366","7.8323","0.0007","5.9007","0.0006","14.6472","0.0014","90","","100.346","0.004","90","","665.93","0.11","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 O2 S -","- C7 H6 O2 S -","- C28 H24 O8 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0215","0.0195","","","0.0406","0.0414","","","","","","1.1854","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575367","9.5965","0.0002","10.3127","0.0003","17.1393","0.0005","97.46","0.001","90.062","0.001","116.424","0.001","1502.82","0.07","300","1","300","1","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 S -","- C19 H16 S -","- C76 H64 S4 -","4","2","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.053","0.0333","","","0.0711","0.084","","","","","","1.0938","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575368","6.7946","0.0003","8.7946","0.0005","17.4457","0.0009","90","","90","","90","","1042.48","0.09","108","1","108","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0224","0.0203","","","0.0388","0.0395","","","","","","1.176","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575369","9.1293","0.0001","9.1293","0.0001","29.9464","0.0008","90","","90","","120","","2161.47","0.07","173","2","173","2","","","","","","","","5","P 31","P 31","144","","","","- C33 H29 Cl N2 O2 -","- C33 H29 Cl N2 O2 -","- C99 H87 Cl3 N6 O6 -","3","1","","Liu, Zhili; Ning, Lichao; Yang, Bingqian; Wang, Kaixuan; Lin, Lili; Feng, Xiaoming","Unveiling the migration reactivity of bicyclic diaziridines: enantioselective synthesis of chiral pyrazolines.","Chemical science","2025","16","36","16584","16589","10.1039/d5sc04846j","","","1.54178","CuKα","","0.0275","0.0269","","","0.0676","0.068","","","","","","1.044","","","","has coordinates","302519","2025-10-06","07:47:29",""
"1575370","9.6872","0.0007","15.0069","0.0008","18.0085","0.0011","90","","90","","90","","2618","0.3","273","","273","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N5 O4 -","- C23 H32 F3 N5 O4 -","- C92 H128 F12 N20 O16 -","4","1","","Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong","Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir","CrystEngComm","2025","27","36","6009","6018","10.1039/D5CE00705D","","","0.71073","MoKα","","0.2279","0.0828","","","0.1812","0.2493","","","","","","0.998","","","","has coordinates","302578","2025-10-06","08:29:04",""
"1575371","9.2453","0.0005","15.1879","0.0008","18.1544","0.0008","90","","90","","90","","2549.2","0.2","268","","268","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N5 O4 -","- C23 H32 F3 N5 O4 -","- C92 H128 F12 N20 O16 -","4","1","","Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong","Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir","CrystEngComm","2025","27","36","6009","6018","10.1039/D5CE00705D","","","0.71073","MoKα","","0.1331","0.0737","","","0.1255","0.152","","","","","","1.104","","","","has coordinates","302578","2025-10-06","08:29:04",""
"1575372","9.2125","0.0004","15.0829","0.0006","18.0498","0.0005","90","","90","","90","","2508.04","0.16","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N5 O4 -","- C23 H32 F3 N5 O4 -","- C92 H128 F12 N20 O16 -","4","1","","Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong","Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir","CrystEngComm","2025","27","36","6009","6018","10.1039/D5CE00705D","","","0.71073","MoKα","","0.0837","0.055","","","0.0981","0.1107","","","","","","1.111","","","","has coordinates","302578","2025-10-06","08:29:04",""
"1575373","9.6828","0.0005","15.0274","0.0008","18.0229","0.0007","90","","90","","90","","2622.5","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N5 O4 -","- C23 H32 F3 N5 O4 -","- C92 H128 F12 N20 O16 -","4","1","","Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong","Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir","CrystEngComm","2025","27","36","6009","6018","10.1039/D5CE00705D","","","0.71073","MoKα","","0.1649","0.0983","","","0.1914","0.2243","","","","","","1.11","","","","has coordinates","302578","2025-10-06","08:29:04",""
"1575374","9.2308","0.0005","15.1453","0.0007","18.117","0.0008","90","","90","","90","","2532.8","0.2","223","","223","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N5 O4 -","- C23 H32 F3 N5 O4 -","- C92 H128 F12 N20 O16 -","4","1","","Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong","Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir","CrystEngComm","2025","27","36","6009","6018","10.1039/D5CE00705D","","","0.71073","MoKα","","0.1116","0.0731","","","0.1164","0.1317","","","","","","1.128","","","","has coordinates","302578","2025-10-06","08:29:04",""
"1575375","25.5409","0.0013","13.6195","0.0007","17.9158","0.0009","90","","91.346","0.002","90","","6230.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C221 H233 Co12 N23 O79 -","- C221 H233 Co12 N23 O79 -","- C221 H233 Co12 N23 O79 -","1","0.25","","Singh, Reetika; Singh, Udai P.; Verma, Pankaj; Kashyap, Sujata; Butcher, Ray J.; Ghosh, Chandrachur; Roy, Partha","Co/Zn metal–organic frameworks with an anthracene-based ligand: cell imaging and catalytic studies","CrystEngComm","2025","27","34","5714","5734","10.1039/D5CE00291E","","","0.71073","MoKα","","0.0872","0.0661","","","0.17","0.1851","","","","","","1.037","","","","has coordinates,has disorder","302589","2025-10-06","08:33:33",""
"1575376","16.284","0.003","15.365","0.003","25.03","0.004","90","","104.932","0.005","90","","6051.1","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H62 N6 O18 Zn3 -","- C60 H62 N6 O18 Zn3 -","- C240 H248 N24 O72 Zn12 -","4","1","","Singh, Reetika; Singh, Udai P.; Verma, Pankaj; Kashyap, Sujata; Butcher, Ray J.; Ghosh, Chandrachur; Roy, Partha","Co/Zn metal–organic frameworks with an anthracene-based ligand: cell imaging and catalytic studies","CrystEngComm","2025","27","34","5714","5734","10.1039/D5CE00291E","","","0.71073","MoKα","","0.1238","0.0637","","","0.1445","0.1798","","","","","","1.031","","","","has coordinates,has disorder","302589","2025-10-06","08:33:35",""
"1575377","10.7873","0.0006","14.0178","0.0005","16.3701","0.0008","86.686","0.003","72.875","0.005","86.271","0.004","2358.7","0.2","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H51 Cl4 Co4 N8 O10 -","- C38 H51 Cl4 Co4 N8 O10 -","- C76 H102 Cl8 Co8 N16 O20 -","2","1","","Favela-Mendoza, Roberto; Rul-Ramírez, Elizabeth; García-Alvarez, Ana Cristina; Sánchez-Lara, Eduardo; Gamboa-Ramírez, Stefani; Flores-Álamo, Marcos; Bertaina, Sylvain; Orio, Maylis; Guerra-Tschuschke, Isabel; Castillo, Ivan","Electrocatalytic water oxidation with bioinspired cubane-type Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14150","14160","10.1039/d5dt01000d","","","1.54184","CuKα","","0.0961","0.0697","","","0.1759","0.2001","","","","","","1.009","","","","has coordinates","302599","2025-10-06","09:02:47",""
"1575378","10.9927","0.0004","10.9927","0.0004","19.6735","0.0019","90","","90","","90","","2377.3","0.3","130","2","130","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C10 H13 Cl Co N2 O2 -","- C10 H13 Cl Co N2 O2 -","- C80 H104 Cl8 Co8 N16 O16 -","8","1","","Favela-Mendoza, Roberto; Rul-Ramírez, Elizabeth; García-Alvarez, Ana Cristina; Sánchez-Lara, Eduardo; Gamboa-Ramírez, Stefani; Flores-Álamo, Marcos; Bertaina, Sylvain; Orio, Maylis; Guerra-Tschuschke, Isabel; Castillo, Ivan","Electrocatalytic water oxidation with bioinspired cubane-type Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14150","14160","10.1039/d5dt01000d","","","0.71073","MoKα","","0.0794","0.0482","","","0.1003","0.1112","","","","","","1.196","","","","has coordinates","302599","2025-10-06","09:02:50",""
"1575379","7.8771","0.0001","19.8671","0.0002","15.1839","0.0002","90","","97.351","0.001","90","","2356.68","0.05","100","2","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1","","- C19 H39 B3 N6 -","- C19 H39 B3 N6 -","- C76 H156 B12 N24 -","4","1","","Hensiek, Nicola; Duwe, Dario; Arrowsmith, Merle; Michel, Maximilian; Braunschweig, Holger","Atom-efficient synthesis of BN-heterocycles from oligoboranes and isonitriles.","Chemical communications (Cambridge, England)","2025","61","76","14721","14724","10.1039/d5cc03752b","","","1.54184","CuKα","","0.051","0.0444","","","0.123","0.1266","","","","","","1.108","","","","has coordinates","302418","2025-10-06","06:58:21",""
"1575380","9.8238","0.0001","35.3927","0.0002","8.6636","0.0001","90","","115.475","0.001","90","","2719.38","0.05","100","2","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2","","- C21 H45 B4 N7 -","- C21 H45 B4 N7 -","- C84 H180 B16 N28 -","4","1","","Hensiek, Nicola; Duwe, Dario; Arrowsmith, Merle; Michel, Maximilian; Braunschweig, Holger","Atom-efficient synthesis of BN-heterocycles from oligoboranes and isonitriles.","Chemical communications (Cambridge, England)","2025","61","76","14721","14724","10.1039/d5cc03752b","","","1.54184","CuKα","","0.0373","0.0346","","","0.0908","0.0926","","","","","","1.04","","","","has coordinates","302418","2025-10-06","06:58:22",""
"1575381","10.9804","0.0003","12.3739","0.0003","12.969","0.0004","69.387","0.002","79.424","0.002","79.155","0.002","1606.59","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3-PhOMe","","- C29.5 H52 B3 N7 O -","- C29.5 H52 B3 N7 O -","- C59 H104 B6 N14 O2 -","2","1","","Hensiek, Nicola; Duwe, Dario; Arrowsmith, Merle; Michel, Maximilian; Braunschweig, Holger","Atom-efficient synthesis of BN-heterocycles from oligoboranes and isonitriles.","Chemical communications (Cambridge, England)","2025","61","76","14721","14724","10.1039/d5cc03752b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0481","0.0422","","","0.113","0.1172","","","","","","1.032","","","","has coordinates,has disorder","302418","2025-10-06","06:58:22",""
"1575382","13.5939","0.0002","16.5266","0.0002","11.7155","0.0001","90","","90.618","0.001","90","","2631.86","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5","","- C21 H45 B4 N7 -","- C21 H45 B4 N7 -","- C84 H180 B16 N28 -","4","0.5","","Hensiek, Nicola; Duwe, Dario; Arrowsmith, Merle; Michel, Maximilian; Braunschweig, Holger","Atom-efficient synthesis of BN-heterocycles from oligoboranes and isonitriles.","Chemical communications (Cambridge, England)","2025","61","76","14721","14724","10.1039/d5cc03752b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0388","0.0372","","","0.1016","0.1031","","","","","","1.08","","","","has coordinates","302418","2025-10-06","06:58:22",""
"1575383","7.7226","0.0002","10.626","0.0003","14.8988","0.0003","81.038","0.002","80.62","0.002","78.599","0.003","1172.76","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4","","- C19 H39 B3 N6 -","- C19 H39 B3 N6 -","- C38 H78 B6 N12 -","2","1","","Hensiek, Nicola; Duwe, Dario; Arrowsmith, Merle; Michel, Maximilian; Braunschweig, Holger","Atom-efficient synthesis of BN-heterocycles from oligoboranes and isonitriles.","Chemical communications (Cambridge, England)","2025","61","76","14721","14724","10.1039/d5cc03752b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0515","0.0448","","","0.1263","0.1314","","","","","","1.062","","","","has coordinates","302418","2025-10-06","06:58:22",""
"1575384","10.7702","0.0003","12.1456","0.0003","15.0064","0.0003","68.928","0.002","71.502","0.002","66.053","0.002","1639.92","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","6","","- C28 H56 B4 N8 -","- C28 H56 B4 N8 -","- C56 H112 B8 N16 -","2","1","","Hensiek, Nicola; Duwe, Dario; Arrowsmith, Merle; Michel, Maximilian; Braunschweig, Holger","Atom-efficient synthesis of BN-heterocycles from oligoboranes and isonitriles.","Chemical communications (Cambridge, England)","2025","61","76","14721","14724","10.1039/d5cc03752b","","x-ray","1.54184","CuKα","K-L~2,3~","0.043","0.0388","","","0.1043","0.107","","","","","","1.052","","","","has coordinates","302418","2025-10-06","06:58:22",""
"1575385","10.7176","0.0002","11.7085","0.0002","13.7152","0.0002","89.193","0.001","72.714","0.001","65.345","0.001","1481.51","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Cy","","- C26 H50 B3 N7 -","- C26 H50 B3 N7 -","- C52 H100 B6 N14 -","2","1","","Hensiek, Nicola; Duwe, Dario; Arrowsmith, Merle; Michel, Maximilian; Braunschweig, Holger","Atom-efficient synthesis of BN-heterocycles from oligoboranes and isonitriles.","Chemical communications (Cambridge, England)","2025","61","76","14721","14724","10.1039/d5cc03752b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0425","0.0378","","","0.1013","0.1044","","","","","","1.053","","","","has coordinates,has disorder","302418","2025-10-06","06:58:22",""
"1575386","19.2669","0.0001","10.9341","0.0001","30.2037","0.0002","90","","99.682","0.001","90","","6272.27","0.08","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-Xyl","","- C28 H48 B3 N7 -","- C28 H48 B3 N7 -","- C224 H384 B24 N56 -","8","2","","Hensiek, Nicola; Duwe, Dario; Arrowsmith, Merle; Michel, Maximilian; Braunschweig, Holger","Atom-efficient synthesis of BN-heterocycles from oligoboranes and isonitriles.","Chemical communications (Cambridge, England)","2025","61","76","14721","14724","10.1039/d5cc03752b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0277","0.0271","","","0.0712","0.0716","","","","","","1.03","","","","has coordinates","302418","2025-10-06","06:58:22",""
"1575387","7.8475","0.0003","14.3845","0.0006","16.1929","0.0006","90","","100.385","0.004","90","","1797.95","0.12","297.98","0.1","297.98","0.1","","","","","","","","6","I 1 a 1","I -2ya","9","","[SAPD]PbI3","","- C12 H11 I3 N2 O Pb -","- C12 H11 I3 N2 O Pb -","- C48 H44 I12 N8 O4 Pb4 -","4","1","","Xu, Zhe-Kun; Wang, Zhong-Xia","A low-dimensional ferrocenium lead-iodide perovskite ferroelastic with a narrow band gap.","Chemical communications (Cambridge, England)","2025","61","81","15810","15813","10.1039/d5cc03384e","","x-ray","0.71073","MoKα","","0.0358","0.0293","","","0.0729","0.0746","","","","","","1.035","","","","has coordinates","303527","2025-11-29","17:38:47",""
"1575388","7.8102","0.0002","14.2865","0.0004","16.1155","0.0004","90","","100.552","0.002","90","","1767.77","0.08","172.91","0.16","172.91","0.16","","","","","","","","6","I 1 a 1","I -2ya","9","","[SAPD]PbI3","","- C12 H11 I3 N2 O Pb -","- C12 H11 I3 N2 O Pb -","- C48 H44 I12 N8 O4 Pb4 -","4","1","","Xu, Zhe-Kun; Wang, Zhong-Xia","A low-dimensional ferrocenium lead-iodide perovskite ferroelastic with a narrow band gap.","Chemical communications (Cambridge, England)","2025","61","81","15810","15813","10.1039/d5cc03384e","","x-ray","0.71073","MoKα","","0.0335","0.0323","","","0.0861","0.0868","","","","","","1.062","","","","has coordinates","303527","2025-11-29","17:38:47",""
"1575389","12.5159","0.0002","7.5277","0.0001","13.7218","0.0002","90","","106.358","0.002","90","","1240.48","0.03","297.89","0.1","297.89","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[SAPD]I","","- C12 H11 I N2 O -","- C12 H11 I N2 O -","- C48 H44 I4 N8 O4 -","4","1","","Xu, Zhe-Kun; Wang, Zhong-Xia","A low-dimensional ferrocenium lead-iodide perovskite ferroelastic with a narrow band gap.","Chemical communications (Cambridge, England)","2025","61","81","15810","15813","10.1039/d5cc03384e","","x-ray","1.54184","CuKα","","0.0272","0.026","","","0.0693","0.0699","","","","","","1.07","","","","has coordinates","303527","2025-11-29","17:38:47",""
"1575390","14.274","0.0007","17.4538","0.0008","11.7559","0.0005","90","","90","","90","","2928.8","0.2","296.15","","296.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C40 H68 Cd2 N12 O32 P2 -","- C40 H68 Cd2 N12 O32 P2 -","- C80 H136 Cd4 N24 O64 P4 -","2","0.5","","Li, Hao; Amombo Noa, Francoise M.; Åhlén, Michelle; Cao, Zhejian; Andréasson, Joakim; Cheung, Ocean; Öhrström, Lars","On metal-organic framework isomers, and the SF<sub>6</sub> sorption and fluorescence of an In and a Zr MOF with a tritopic linker.","Chemical communications (Cambridge, England)","2025","61","74","14129","14132","10.1039/d5cc02180d","","","0.71073","MoKα","","0.0788","0.0435","","","0.0749","0.0875","","","","","","1.024","","","","has coordinates","302429","2025-10-06","07:02:19",""
"1575391","8.7891","0.0001","10.3473","0.0001","21.3735","0.0002","90","","93.351","0.001","90","","1940.46","0.03","99.9","0.2","99.9","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N3 O4 S -","- C20 H21 N3 O4 S -","- C80 H84 N12 O16 S4 -","4","1","","Li, Hao; Amombo Noa, Francoise M.; Åhlén, Michelle; Cao, Zhejian; Andréasson, Joakim; Cheung, Ocean; Öhrström, Lars","On metal-organic framework isomers, and the SF<sub>6</sub> sorption and fluorescence of an In and a Zr MOF with a tritopic linker.","Chemical communications (Cambridge, England)","2025","61","74","14129","14132","10.1039/d5cc02180d","","x-ray","1.54184","CuKα","","0.0415","0.0408","","","0.1151","0.1158","","","","","","1.046","","","","has coordinates","302429","2025-10-06","07:02:30",""
"1575392","8.2074","0.00006","8.8393","0.00008","17.27472","0.00017","97.5406","0.0008","97.5177","0.0007","94.5922","0.0007","1225.68","0.019","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 N3 O4 S3 -","- C22 H29 N3 O4 S3 -","- C44 H58 N6 O8 S6 -","2","1","","Li, Hao; Amombo Noa, Francoise M.; Åhlén, Michelle; Cao, Zhejian; Andréasson, Joakim; Cheung, Ocean; Öhrström, Lars","On metal-organic framework isomers, and the SF<sub>6</sub> sorption and fluorescence of an In and a Zr MOF with a tritopic linker.","Chemical communications (Cambridge, England)","2025","61","74","14129","14132","10.1039/d5cc02180d","","x-ray","1.54184","CuKα","","0.0306","0.0302","","","0.0772","0.0775","","","","","","1.029","","","","has coordinates,has disorder","302429","2025-10-06","07:02:31",""
"1575393","8.1644","0.0003","9.0953","0.0004","13.4123","0.0007","72.506","0.004","77.901","0.004","83.548","0.003","927.5","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N3 O S2 -","- C20 H21 N3 O S2 -","- C40 H42 N6 O2 S4 -","2","1","","Li, Hao; Amombo Noa, Francoise M.; Åhlén, Michelle; Cao, Zhejian; Andréasson, Joakim; Cheung, Ocean; Öhrström, Lars","On metal-organic framework isomers, and the SF<sub>6</sub> sorption and fluorescence of an In and a Zr MOF with a tritopic linker.","Chemical communications (Cambridge, England)","2025","61","74","14129","14132","10.1039/d5cc02180d","","x-ray","1.54184","CuKα","","0.0316","0.031","","","0.0798","0.0802","","","","","","1.082","","","","has coordinates","302429","2025-10-06","07:02:32",""
"1575394","6.7288","0.0004","15.3912","0.0009","8.7864","0.0005","90","","96.701","0.001","90","","903.74","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 F3 N2 O3 S -","- C5 H7 F3 N2 O3 S -","- C20 H28 F12 N8 O12 S4 -","4","1","","Li, Hao; Amombo Noa, Francoise M.; Åhlén, Michelle; Cao, Zhejian; Andréasson, Joakim; Cheung, Ocean; Öhrström, Lars","On metal-organic framework isomers, and the SF<sub>6</sub> sorption and fluorescence of an In and a Zr MOF with a tritopic linker.","Chemical communications (Cambridge, England)","2025","61","74","14129","14132","10.1039/d5cc02180d","","","0.71073","MoKα","","0.0425","0.04","","","0.097","0.0988","","","","","","1.032","","","","has coordinates","302429","2025-10-06","07:02:33",""
"1575395","29.0141","0.0005","29.0141","0.0005","7.2136","0.0001","90","","90","","120","","5258.97","0.15","99.9","0.9","99.9","0.9","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C30 H40 In N3 O11 -","- C18 H11 In O7 -","- C108 H66 In6 O42 -","6","0.5","","Li, Hao; Amombo Noa, Francoise M.; Åhlén, Michelle; Cao, Zhejian; Andréasson, Joakim; Cheung, Ocean; Öhrström, Lars","On metal-organic framework isomers, and the SF<sub>6</sub> sorption and fluorescence of an In and a Zr MOF with a tritopic linker.","Chemical communications (Cambridge, England)","2025","61","74","14129","14132","10.1039/d5cc02180d","","x-ray","1.54184","CuKα","","0.0629","0.0464","","","0.1299","0.1404","","","","","","0.98","","","","has coordinates","302429","2025-10-06","07:02:33",""
"1575396","24.3152","0.0003","24.3152","0.0003","18.9359","0.0004","90","","90","","90","","11195.5","0.3","100","0.9","100","0.9","","","","","","","","4","I 4/m","-I 4","87","","","","- C108 H64 O44 Zr6 -","- C108 H64 O43.96 Zr6 -","- C216 H128 O87.92 Zr12 -","2","0.125","","Li, Hao; Amombo Noa, Francoise M.; Åhlén, Michelle; Cao, Zhejian; Andréasson, Joakim; Cheung, Ocean; Öhrström, Lars","On metal-organic framework isomers, and the SF<sub>6</sub> sorption and fluorescence of an In and a Zr MOF with a tritopic linker.","Chemical communications (Cambridge, England)","2025","61","74","14129","14132","10.1039/d5cc02180d","","x-ray","1.54184","CuKα","","0.0585","0.0512","","","0.1572","0.1634","","","","","","1.035","","","","has coordinates,has disorder","302429","2025-10-06","07:02:34",""
"1575397","16.14702","0.00014","26.9656","0.0002","9.27142","0.00009","90","","104.851","0.001","90","","3902.06","0.06","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 Cd N6 O5 -","- C50 H34 Cd N6 O5 -","- C200 H136 Cd4 N24 O20 -","4","1","","Yan, Xinyue; Song, Shi-Yu; Liang, Shicong; Liu, Kai-Kai; Liu, Xiao-Ting; Lu, Chao","Regulating through-space charge transfer interactions in donor-acceptor MOFs for thermally activated delayed fluorescence and X-ray scintillators.","Chemical science","2025","16","36","16770","16779","10.1039/d5sc02235e","","x-ray","1.54184","CuKα","","0.0262","0.0247","","","0.0659","0.0668","","","","","","1.039","","","","has coordinates","302523","2025-10-06","07:48:35",""
"1575398","27.35","0.0003","11.0237","0.0001","29.4404","0.0003","90","","90","","90","","8876.23","0.16","298.68","0.1","298.68","0.1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C56 H34 Cd N6 O5 -","- C57 H34 Cd N6 O5 -","- C456 H272 Cd8 N48 O40 -","8","1","","Yan, Xinyue; Song, Shi-Yu; Liang, Shicong; Liu, Kai-Kai; Liu, Xiao-Ting; Lu, Chao","Regulating through-space charge transfer interactions in donor-acceptor MOFs for thermally activated delayed fluorescence and X-ray scintillators.","Chemical science","2025","16","36","16770","16779","10.1039/d5sc02235e","","x-ray","1.54178","CuKα","","0.0457","0.0449","","","0.1264","0.127","","","","","","1.075","","","","has coordinates","302523","2025-10-06","07:48:35",""
"1575399","11.2321","0.0001","18.6009","0.0002","21.5863","0.0002","84.55","0.001","89.837","0.001","79.411","0.001","4412.63","0.08","99.95","0.16","99.95","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C104 H68 Cd2 N12 O10 -","- C104 H68 Cd2 N12 O10 -","- C208 H136 Cd4 N24 O20 -","2","1","","Yan, Xinyue; Song, Shi-Yu; Liang, Shicong; Liu, Kai-Kai; Liu, Xiao-Ting; Lu, Chao","Regulating through-space charge transfer interactions in donor-acceptor MOFs for thermally activated delayed fluorescence and X-ray scintillators.","Chemical science","2025","16","36","16770","16779","10.1039/d5sc02235e","","x-ray","1.54184","CuKα","","0.0771","0.0707","","","0.1949","0.2002","","","","","","1.061","","","","has coordinates,has disorder","302523","2025-10-06","07:48:35",""
"1575400","9.8918","0.0003","8.8858","0.0003","17.4486","0.0006","90","","99.352","0.001","90","","1513.29","0.09","20","","20","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[CoCl(Cl-tPy)]","","- C15 H10 Cl3 Co N3 -","- C15 H10 Cl6 Co2 N3 -","- C60 H40 Cl24 Co8 N12 -","4","1","","Slavensky, Hannah H.; Parmar, Vijay S.; Leiszner, Sofie S.; Thiel, Andreas M.; Lassen, Helene; Calder, Stuart; Kibalin, Iurii; Iversen, Bo B.","Experimental determination of the magnetic anisotropy in five-coordinated Co(ii) field-induced single molecule magnets.","Chemical science","2025","16","36","16610","16624","10.1039/d5sc03103f","","","0.2488","synchrotron","","0.0114","0.0093","","","","0.0136","0.0167","","","","","0.8733","","","","has coordinates","302522","2025-10-06","07:48:19",""
"1575401","10.8633","0.0003","8.393","0.0003","17.7573","0.0005","90","","102.09","0.001","90","","1583.12","0.08","20","","20","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br2 Cl Co N3 -","- C15 H10 Br2 Cl Co N3 -","- C60 H40 Br8 Cl4 Co4 N12 -","4","1","","Slavensky, Hannah H.; Parmar, Vijay S.; Leiszner, Sofie S.; Thiel, Andreas M.; Lassen, Helene; Calder, Stuart; Kibalin, Iurii; Iversen, Bo B.","Experimental determination of the magnetic anisotropy in five-coordinated Co(ii) field-induced single molecule magnets.","Chemical science","2025","16","36","16610","16624","10.1039/d5sc03103f","","","0.2488","synchrotron","","0.014","0.0095","","","","0.0141","0.0135","","","","","0.8639","","","","has coordinates","302522","2025-10-06","07:48:19",""
"1575402","12.9504","0.0018","12.9504","0.0018","15.371","0.003","90","","90","","90","","2577.9","0.7","193","","193","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C50 H50 Cu N6 O14 -","- C50 H38 Cu0.999 N4 O2 -","- C100 H76 Cu1.998 N8 O4 -","2","0.25","","Wang, Wenchang; Li, Lei; Zhang, Meiyu; Kang, Kang; Xiao, Chengliang","Robust copper-based cationic metal-organic frameworks for efficient sequestration of perrhenate/pertechnetate.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13529","13539","10.1039/d5dt01471a","","x-ray","0.71073","MoKα","","0.1228","0.105","","","0.2736","0.2887","","","","","","1.019","","","","has coordinates,has disorder","302642","2025-10-06","09:24:00",""
"1575403","17.0877","0.0005","17.0877","0.0005","17.0877","0.0005","90","","90","","90","","4989.4","0.3","170","","170","","","","","","","","","6","P n -3 :2","-P 2ab 2bc 3","201","","","","- C114 H84 Cu4 I N27 O9 -","- C114 H84 Cu4 I N24 -","- C228 H168 Cu8 I2 N48 -","2","0.0833333","","Wang, Wenchang; Li, Lei; Zhang, Meiyu; Kang, Kang; Xiao, Chengliang","Robust copper-based cationic metal-organic frameworks for efficient sequestration of perrhenate/pertechnetate.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13529","13539","10.1039/d5dt01471a","","","1.34139","GaKα","","0.0385","0.0361","","","0.1007","0.102","","","","","","1.127","","","","has coordinates","302642","2025-10-06","09:24:00",""
"1575404","9.7431","0.0013","9.2259","0.001","17.642","0.002","90","","98.65","0.013","90","","1567.8","0.3","200","","200","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C37 H31 N5 O4 Zn -","- C37 H31 N5 O4 Zn -","- C74 H62 N10 O8 Zn2 -","2","0.5","","Giovanardi, Dario; Cagossi, Giorgio; Zolotarev, Pavel N.; Mazzeo, Paolo P.; Bacchi, Alessia; Carlucci, Lucia; Proserpio, Davide M.; Pelagatti, Paolo","Collapse or capture? Guest-induced response of two structurally distinct pillared-MOFs upon exposure to pyridines and quinolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13540","13548","10.1039/d5dt01321f","","","0.71073","MoKα","","0.0812","0.0474","","","0.0837","0.0927","","","","","","1.022","","","","has coordinates,has disorder","302652","2025-10-06","09:28:59",""
"1575405","15.0514","0.0007","15.0686","0.0008","26.8387","0.0012","86.567","0.003","78.62","0.003","60.082","0.003","5166.9","0.5","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C101.75 H81.75 N15.25 O15 Zn3 -","- C84.75 H56.25 N6.75 O15 Zn3 -","- C169.5 H112.5 N13.5 O30 Zn6 -","2","1","","Giovanardi, Dario; Cagossi, Giorgio; Zolotarev, Pavel N.; Mazzeo, Paolo P.; Bacchi, Alessia; Carlucci, Lucia; Proserpio, Davide M.; Pelagatti, Paolo","Collapse or capture? Guest-induced response of two structurally distinct pillared-MOFs upon exposure to pyridines and quinolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13540","13548","10.1039/d5dt01321f","","","1.54178","CuKα","","0.1457","0.1098","","","0.3243","0.3616","","","","","","1.043","","","","has coordinates,has disorder","302652","2025-10-06","09:29:04",""
"1575406","13.1342","0.0009","13.1346","0.0008","31.665","0.002","87.768","0.002","87.468","0.002","86.876","0.002","5445.5","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C99 H72 N9 O21 Zn4 -","- C99 H72 N9 O21 Zn4 -","- C198 H144 N18 O42 Zn8 -","2","1","","Giovanardi, Dario; Cagossi, Giorgio; Zolotarev, Pavel N.; Mazzeo, Paolo P.; Bacchi, Alessia; Carlucci, Lucia; Proserpio, Davide M.; Pelagatti, Paolo","Collapse or capture? Guest-induced response of two structurally distinct pillared-MOFs upon exposure to pyridines and quinolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13540","13548","10.1039/d5dt01321f","","","0.71073","MoKα","","0.1361","0.0984","","","0.2507","0.276","","","","","","1.06","","","","has coordinates","302652","2025-10-06","09:29:13",""
"1575407","15.2374","0.0003","15.2428","0.0003","27.022","0.0005","96.353","0.001","98.162","0.001","90.393","0.001","6172.8","0.2","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C141.75 H105.25 N13.75 O16 Zn3 -","- C130.5 H96.5 N12.5 O16 Zn3 -","- C261 H193 N25 O32 Zn6 -","2","1","","Giovanardi, Dario; Cagossi, Giorgio; Zolotarev, Pavel N.; Mazzeo, Paolo P.; Bacchi, Alessia; Carlucci, Lucia; Proserpio, Davide M.; Pelagatti, Paolo","Collapse or capture? Guest-induced response of two structurally distinct pillared-MOFs upon exposure to pyridines and quinolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13540","13548","10.1039/d5dt01321f","","","1.54178","CuKα","","0.0933","0.0789","","","0.2335","0.2503","","","","","","1.041","","","","has coordinates,has disorder","302652","2025-10-06","09:29:13",""
"1575408","31.3676","0.0015","9.3947","0.0005","26.1032","0.0011","90","","103.854","0.002","90","","7468.6","0.6","193","","193","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C70 H48 N8 Ni2 O8 -","- C70 H48 N8 Ni2 O8 -","- C280 H192 N32 Ni8 O32 -","4","1","","Zhang, Kai-Yang; Qiu, Zhao-Feng; Wang, Fang-Fang; Guo, Xiao-Ru; Zhao, Yue; Cui, Pei-Pei; Sun, Wei-Yin","Water-stable Ni(II)-MOFs as ratiometric fluorescent probes for the detection of perfluorocarboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13308","13316","10.1039/d5dt01493j","","","0.71073","MoKα","","0.1114","0.061","","","0.1437","0.1735","","","","","","0.996","","","","has coordinates,has disorder","302667","2025-10-06","09:38:19",""
"1575409","12.7302","0.0015","14.8681","0.0015","15.5867","0.0017","78.734","0.004","89.549","0.005","66.505","0.004","2645.4","0.5","193","","193","","","","","","","","","5","P -1","-P 1","2","","Ni_S","","- C58 H40 N8 Ni O4 -","- C58 H40 N8 Ni O4 -","- C116 H80 N16 Ni2 O8 -","2","1","","Zhang, Kai-Yang; Qiu, Zhao-Feng; Wang, Fang-Fang; Guo, Xiao-Ru; Zhao, Yue; Cui, Pei-Pei; Sun, Wei-Yin","Water-stable Ni(II)-MOFs as ratiometric fluorescent probes for the detection of perfluorocarboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13308","13316","10.1039/d5dt01493j","","","1.34139","GaKα","","0.1942","0.1178","","","0.308","0.3541","","","","","","1.071","","","","has coordinates","302667","2025-10-06","09:38:19",""
"1575410","17.52","0.004","19.89","0.004","34.14","0.007","103.49","0.03","94.55","0.03","112.42","0.03","10505","5","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C258 H202 -","- C258 H202 -","- C516 H404 -","2","1","","Niu, Wenhui; Fang, Chi; Tang, Likun; Unsal, Elif; Fu, Yubin; Deka, Jitul; Liu, Fupin; Popov, Alexey A.; Wu, Fupeng; Shi, Huanhuan; Komber, Hartmut; Dianat, Arezoo; Gutierrez, Rafael; Ma, Ji; Sang, Yutao; Cuniberti, Gianaurelio; Parkin, Stuart S. P.","Lateral π-extended helical nanographenes with large spin polarization.","Chemical science","2025","16","45","21446","21453","10.1039/d5sc03887a","","","0.7749","synchrotron","","0.1765","0.0908","","","0.2354","0.2873","","","","","","0.936","","","","has coordinates","303664","2025-11-29","18:42:17",""
"1575411","13.6984","0.0002","13.7841","0.0002","14.6009","0.0002","85.913","0.001","71.484","0.001","79.521","0.001","2570.36","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H13.6 Cl0.8 F4.8 P0.8 S2 -","- C24.4 H13.6 Cl0.8 F4.8 P0.8 S2 -","- C122 H68 Cl4 F24 P4 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","","1.54184","CuKα","","0.0857","0.0686","","","0.1915","0.2038","","","","","","1.038","","","","has coordinates,has disorder","302595","2025-10-06","08:35:44",""
"1575412","13.754","0.0002","13.8852","0.0002","14.6689","0.0003","71.394","0.002","86.012","0.001","79.459","0.001","2610.01","0.08","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H13.6 Cl0.8 F4.8 P0.79 S2 -","- C24.4 H13.6 Cl0.8 F4.8 P0.8 S2 -","- C122 H68 Cl4 F24 P4 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","","1.54184","CuKα","","0.1079","0.0837","","","0.2374","0.2592","","","","","","1.057","","","","has coordinates,has disorder","302595","2025-10-06","08:35:44",""
"1575413","10.363","0.0005","10.4488","0.0005","15.7822","0.0007","101.434","0.004","108.011","0.004","101.058","0.004","1533.07","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15.33 Cl1.33 O2.67 S2 -","- C26 H15.3333 Cl1.33333 O2.66667 S2 -","- C78 H46 Cl4 O8 S6 -","3","1.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0776","0.0661","","","0.1854","0.1989","","","","","","1.108","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575414","13.6133","0.0003","14.2244","0.0003","14.7406","0.0005","70.481","0.003","86.305","0.002","79.14","0.002","2642.16","0.13","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 Br0.4 F4.8 P0.8 S2 -","- C24.4 H14 Br0.4 F4.8 P0.8 S2 -","- C122 H70 Br2 F24 P4 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","","1.54184","CuKα","","0.1158","0.0859","","","0.2478","0.2778","","","","","","1.068","","","","has coordinates","302595","2025-10-06","08:35:45",""
"1575415","10.4433","0.0003","10.5181","0.0004","15.794","0.0005","101.595","0.003","107.772","0.003","101.056","0.003","1557.65","0.1","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15.33 Cl1.33 O2.67 S2 -","- C26 H15.3333 Cl1.33333 O2.66667 S2 -","- C78 H46 Cl4 O8 S6 -","3","1.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0922","0.0787","","","0.2179","0.2347","","","","","","1.062","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575416","13.6644","0.0003","13.9317","0.0004","14.6414","0.0005","70.477","0.003","85.804","0.002","78.781","0.002","2576.71","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 As0.8 Cl0.4 F4.8 S2 -","- C24.4 H14 As0.8 Cl0.4 F4.8 S2 -","- C122 H70 As4 Cl2 F24 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0804","0.072","","","0.2013","0.2062","","","","","","1.09","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575417","13.5769","0.0001","14.0578","0.0002","14.6788","0.0002","70.715","0.001","85.976","0.001","79.057","0.001","2596.24","0.06","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H35 Br F12 P2 S5 -","- C61 H35 Br F12 P2 S5 -","- C122 H70 Br2 F24 P4 S10 -","2","1","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","","1.54184","CuKα","","0.0768","0.0684","","","0.1906","0.199","","","","","","1.025","","","","has coordinates","302595","2025-10-06","08:35:45",""
"1575418","13.5317","0.0002","13.9267","0.0002","14.6385","0.0003","70.766","0.002","85.742","0.001","79.027","0.001","2556.85","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 Br0.4 F4.8 P0.8 S2 -","- C24.4 H14 Br0.4 F4.8 P0.8 S2 -","- C122 H70 Br2 F24 P4 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","","1.54184","CuKα","","0.0594","0.0487","","","0.1295","0.1375","","","","","","1.045","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575419","10.5374","0.0002","10.58339","0.00018","15.829","0.0003","101.905","0.0016","107.322","0.0019","101.385","0.0016","1584.41","0.06","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15.33 Cl1.33 O2.67 S2 -","- C26 H15.3333 Cl1.33333 O2.66667 S2 -","- C78 H46 Cl4 O8 S6 -","3","1.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0964","0.0847","","","0.2427","0.2568","","","","","","1.103","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575420","10.5925","0.0003","10.7783","0.0003","15.8611","0.0005","103.313","0.002","105.912","0.003","102.66","0.003","1615.72","0.1","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15.33 Cl0.67 F4 P0.67 S2 -","- C26 H15.3333 Cl0.666667 F4 P0.666667 S2 -","- C78 H46 Cl2 F12 P2 S6 -","3","1.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0746","0.0606","","","0.1578","0.1672","","","","","","1.049","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575421","10.5204","0.0003","10.7353","0.0002","15.743","0.0005","103.036","0.002","105.912","0.003","102.613","0.002","1589.57","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15.33 Cl0.67 F4 P0.67 S2 -","- C26 H15.3333 Cl0.666667 F4 P0.666667 S2 -","- C78 H46 Cl2 F12 P2 S6 -","3","1.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0959","0.0742","","","0.1584","0.1685","","","","","","1.115","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575422","10.6725","0.0002","10.8448","0.0002","15.9759","0.0003","103.766","0.001","105.661","0.002","103.1","0.001","1643.51","0.06","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15.33 Cl0.67 F4 P0.67 S2 -","- C26 H15.3333 Cl0.666667 F4 P0.666667 S2 -","- C78 H46 Cl2 F12 P2 S6 -","3","1.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0713","0.053","","","0.1279","0.1379","","","","","","1.047","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575423","13.6803","0.0004","14.078","0.0004","14.7274","0.0005","70.167","0.003","85.807","0.003","78.842","0.002","2617.61","0.15","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 As0.8 Cl0.4 F4.8 S2 -","- C24.4 H14 As0.8 Cl0.4 F4.8 S2 -","- C122 H70 As4 Cl2 F24 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0747","0.0604","","","0.155","0.1631","","","","","","1.056","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575424","13.6804","0.0003","14.2592","0.0004","14.8005","0.0004","69.962","0.002","85.719","0.002","78.822","0.002","2660.82","0.12","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 As0.8 Cl0.4 F4.8 S2 -","- C24.4 H14 As0.8 Cl0.4 F4.8 S2 -","- C122 H70 As4 Cl2 F24 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.096","0.0779","","","0.1991","0.2093","","","","","","1.107","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575425","13.7529","0.0003","14.0651","0.0003","14.7342","0.0003","71.18","0.002","86.156","0.002","79.453","0.002","2652.07","0.1","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H13.56 Cl0.8 F4.8 P0.8 S2 -","- C24.4 H13.56 Cl0.8 F4.8 P0.8 S2 -","- C122 H67.8 Cl4 F24 P4 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","","1.54184","CuKα","","0.1161","0.0888","","","0.2599","0.2843","","","","","","1.053","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575426","14.7753","0.0004","17.2538","0.0004","21.4333","0.0005","89.627","0.002","73.391","0.002","84.665","0.002","5212.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 Cl0.4 F4.8 S2 Sb0.8 -","- C24.4 H14 Cl0.4 F4.8 S2 Sb0.8 -","- C244 H140 Cl4 F48 S20 Sb8 -","10","5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.091","0.065","","","0.1688","0.1899","","","","","","1.021","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575427","14.8806","0.0002","17.3774","0.0001","21.5631","0.0002","88.976","0.001","72.889","0.001","84.464","0.001","5303.93","0.1","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C122 H70 Cl2 F24 S10 Sb4 -","- C122 H70 Cl2 F24 S10 Sb4 -","- C244 H140 Cl4 F48 S20 Sb8 -","2","1","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0921","0.0845","","","0.2311","0.2369","","","","","","1.095","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575428","14.9609","0.0003","17.5144","0.0002","21.7009","0.0005","88.523","0.002","72.579","0.002","84.107","0.001","5396.74","0.19","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 Cl0.4 F4.8 S2 Sb0.8 -","- C24.4 H14 Cl0.4 F4.8 S2 Sb0.8 -","- C244 H140 Cl4 F48 S20 Sb8 -","10","5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.1027","0.0848","","","0.2025","0.2142","","","","","","1.113","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575429","6.8429","0.0006","12.8769","0.0012","17.6451","0.0016","106.325","0.004","99.108","0.004","96.639","0.005","1452.1","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H28 N2 O4 -","- C40 H28 N2 O4 -","- C80 H56 N4 O8 -","2","1","","Feiler, Torvid; Emmerling, Franziska; Bhattacharya, Biswajit","Sustainable mechanochemical approach for the selective synthesis of multicomponent organic solids: real-time in situ insights","CrystEngComm","2025","27","37","6184","6192","10.1039/D5CE00663E","","","0.71073","MoKα","","0.1666","0.0868","","","0.1593","0.1858","","","","","","1.029","","","","has coordinates","302565","2025-10-06","08:24:04",""
"1575430","23.3375","0.0012","10.3912","0.0005","12.0372","0.0006","90","","95.933","0.002","90","","2903.4","0.3","150.01","","150.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N O2 -","- C20 H14 N O2 -","- C160 H112 N8 O16 -","8","1","","Feiler, Torvid; Emmerling, Franziska; Bhattacharya, Biswajit","Sustainable mechanochemical approach for the selective synthesis of multicomponent organic solids: real-time in situ insights","CrystEngComm","2025","27","37","6184","6192","10.1039/D5CE00663E","","","0.71073","MoKα","","0.0513","0.0444","","","0.1223","0.1279","","","","","","1.082","","","","has coordinates","302565","2025-10-06","08:24:04",""
"1575431","8.7484","0.0006","13.5215","0.0011","13.7453","0.0011","73.799","0.002","75.94","0.002","81.67","0.002","1509.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H26 F2 N3 -","- C40 H26 F2 N3 -","- C80 H52 F4 N6 -","2","1","","Usman, Rabia; Jiang, Zhouyu; Kuznetsov, Aleksey; Henidi, Hanan A.; Altamimi, Abeer A.; Bin-Jumah, May Nasser; Alghamdi, Mutaz; Khan, Arshad","Donor–acceptor architecture dictates emission properties: enhanced solid-state fluorescence in carbazole-based charge transfer cocrystals","CrystEngComm","2025","27","38","6303","6313","10.1039/D5CE00619H","","","0.71073","MoKα","","0.1441","0.0637","","","0.1269","0.164","","","","","","1.041","","","","has coordinates","302596","2025-10-06","08:36:07",""
"1575432","15.571","0.012","12.724","0.01","13.505","0.011","90","","125.2","","90","","2186","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H15 F4 N3 -","- C27 H15 F4 N3 -","- C108 H60 F16 N12 -","4","0.5","","Usman, Rabia; Jiang, Zhouyu; Kuznetsov, Aleksey; Henidi, Hanan A.; Altamimi, Abeer A.; Bin-Jumah, May Nasser; Alghamdi, Mutaz; Khan, Arshad","Donor–acceptor architecture dictates emission properties: enhanced solid-state fluorescence in carbazole-based charge transfer cocrystals","CrystEngComm","2025","27","38","6303","6313","10.1039/D5CE00619H","","","0.71073","MoKα","","0.1263","0.0556","","","0.1211","0.1556","","","","","","1.078","","","","has coordinates","302596","2025-10-06","08:36:08",""
"1575433","9.393","0.003","25.453","0.009","7.699","0.002","90","","119.745","0.008","90","","1598.2","0.9","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H20 Cl Cu N4 -","- C14 H20 Cl Cu N4 -","- C56 H80 Cl4 Cu4 N16 -","4","1","","Cruz, Tiago F. C.; López-Sánchez, Belén; Lemos, M Amélia N D A; Romerosa, Antonio; Martins, Luísa M D R S","Borane-functionalized heteroscorpionate copper complexes as catalysts for azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13472","13482","10.1039/d5dt01595b","","","0.71073","MoKα","","0.0512","0.0352","","","0.0541","0.0575","","","","","","0.889","","","","has coordinates","302655","2025-10-06","09:30:06",""
"1575434","8.226","0.011","13.824","0.017","14.502","0.018","100.6","0.03","96.12","0.04","97.88","0.03","1591","4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 B Cu F4 N8 -","- C28 H40 B Cu F4 N8 -","- C56 H80 B2 Cu2 F8 N16 -","2","1","","Cruz, Tiago F. C.; López-Sánchez, Belén; Lemos, M Amélia N D A; Romerosa, Antonio; Martins, Luísa M D R S","Borane-functionalized heteroscorpionate copper complexes as catalysts for azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13472","13482","10.1039/d5dt01595b","","","0.71073","MoKα","","0.1566","0.1131","","","0.3228","0.3615","","","","","","1.272","","","","has coordinates","302655","2025-10-06","09:30:07",""
"1575435","13.002","0.004","8.038","0.002","18.973","0.007","90","","92.813","0.01","90","","1980.5","1.1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 B Cu F4 N5 -","- C16 H23 B Cu F4 N5 -","- C64 H92 B4 Cu4 F16 N20 -","4","1","","Cruz, Tiago F. C.; López-Sánchez, Belén; Lemos, M Amélia N D A; Romerosa, Antonio; Martins, Luísa M D R S","Borane-functionalized heteroscorpionate copper complexes as catalysts for azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13472","13482","10.1039/d5dt01595b","","","0.71073","MoKα","","0.1007","0.0579","","","0.1478","0.1665","","","","","","0.955","","","","has coordinates","302655","2025-10-06","09:30:07",""
"1575436","22.1503","0.001","13.9998","0.0006","6.8863","0.0003","90","","90","","90","","2135.44","0.16","139.99","0.1","139.99","0.1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C15 H9 Au3 F12 N6 -","- C15 H9 Au3 F12 N6 -","- C60 H36 Au12 F48 N24 -","4","0.25","","Eren, Noga; Svecova, Renata; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","The constitutional dynamic chemistry of Au<sub>3</sub>(pyrazolate)<sub>3</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12818","12823","10.1039/d5dt01613d","","x-ray","1.54184","CuKα","","0.0598","0.054","","","0.1557","0.165","","","","","","1.053","","","","has coordinates,has disorder","302674","2025-10-06","09:41:56",""
"1575437","27.8157","0.0002","15.26469","0.00013","16.01953","0.00012","90","","106.301","0.0008","90","","6528.42","0.09","229.99","0.1","229.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H23 Au3 F6 N6 -","- C35 H23 Au3 F6 N6 -","- C280 H184 Au24 F48 N48 -","8","1","","Eren, Noga; Svecova, Renata; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","The constitutional dynamic chemistry of Au<sub>3</sub>(pyrazolate)<sub>3</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12818","12823","10.1039/d5dt01613d","","x-ray","1.54184","CuKα","","0.0216","0.0175","","","0.0391","0.0402","","","","","","1.032","","","","has coordinates","302674","2025-10-06","09:41:57",""
"1575438","12.5422","0.0006","6.8158","0.0003","13.1668","0.0007","90","","118.118","0.007","90","","992.73","0.11","140","0.1","140","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H15 Au3 F6 N6 -","- C15 H14.5 Au3 F6 N6 -","- C30 H29 Au6 F12 N12 -","2","0.5","","Eren, Noga; Svecova, Renata; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","The constitutional dynamic chemistry of Au<sub>3</sub>(pyrazolate)<sub>3</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12818","12823","10.1039/d5dt01613d","","x-ray","0.71073","MoKα","","0.0328","0.0244","","","0.0503","0.0523","","","","","","1.027","","","","has coordinates,has disorder","302674","2025-10-06","09:41:57",""
"1575439","7.6879","0.0003","12.9988","0.0006","13.7279","0.0005","67.717","0.004","89.145","0.003","79.04","0.004","1243.8","0.1","229.99","0.1","229.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 Au3 N6 -","- C25 H25 Au3 N6 -","- C50 H50 Au6 N12 -","2","1","","Eren, Noga; Svecova, Renata; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","The constitutional dynamic chemistry of Au<sub>3</sub>(pyrazolate)<sub>3</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12818","12823","10.1039/d5dt01613d","","x-ray","1.54184","CuKα","","0.0516","0.038","","","0.0959","0.1015","","","","","","1.047","","","","has coordinates","302674","2025-10-06","09:41:57",""
"1575440","8.89","0.0002","14.754","0.0003","18.1992","0.0004","90","","93.035","0.0019","90","","2383.71","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 N P Pt S -","- C23 H36 N P Pt S -","- C92 H144 N4 P4 Pt4 S4 -","4","1","","Losev, Mikhail A.; Yessengazin, Azamat; Fayzullin, Robert R.; Khaskin, Eugene","Synthesis of a series of PNC pincer ligand-supported Pt complexes, and an initial exploration of their reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13712","13721","10.1039/d5dt01800e","","x-ray","0.71073","MoKα","","0.0319","0.0222","","","0.0404","0.0422","","","","","","1.037","","","","has coordinates","302650","2025-10-06","09:28:17",""
"1575441","14.1302","0.0003","10.54143","0.00018","15.4606","0.0003","90","","105.126","0.002","90","","2223.11","0.08","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 B F4 N O P Pt -","- C21 H27 B F4 N O P Pt -","- C84 H108 B4 F16 N4 O4 P4 Pt4 -","4","1","","Losev, Mikhail A.; Yessengazin, Azamat; Fayzullin, Robert R.; Khaskin, Eugene","Synthesis of a series of PNC pincer ligand-supported Pt complexes, and an initial exploration of their reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13712","13721","10.1039/d5dt01800e","","x-ray","1.54184","CuKα","","0.044","0.0409","","","0.112","0.1147","","","","","","1.051","","","","has coordinates","302650","2025-10-06","09:28:19",""
"1575442","19.5517","0.0003","9.06881","0.00016","22.1521","0.0004","90","","101.335","0.0018","90","","3851.19","0.12","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Cl K N O4 P Pt -","- C36 H58 Cl K N O4 P Pt -","- C144 H232 Cl4 K4 N4 O16 P4 Pt4 -","4","1","","Losev, Mikhail A.; Yessengazin, Azamat; Fayzullin, Robert R.; Khaskin, Eugene","Synthesis of a series of PNC pincer ligand-supported Pt complexes, and an initial exploration of their reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13712","13721","10.1039/d5dt01800e","","x-ray","0.71073","MoKα","","0.0444","0.0314","","","0.0598","0.0627","","","","","","1.103","","","","has coordinates,has disorder","302650","2025-10-06","09:28:19",""
"1575443","13.13135","0.00009","20.2082","0.00014","11.30604","0.00008","90","","110.785","0.0008","90","","2804.92","0.04","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 B F4 N O2 P Pt S2 -","- C24 H39 B F4 N O2 P Pt S2 -","- C96 H156 B4 F16 N4 O8 P4 Pt4 S8 -","4","1","","Losev, Mikhail A.; Yessengazin, Azamat; Fayzullin, Robert R.; Khaskin, Eugene","Synthesis of a series of PNC pincer ligand-supported Pt complexes, and an initial exploration of their reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13712","13721","10.1039/d5dt01800e","","x-ray","1.54184","CuKα","","0.0302","0.0292","","","0.0784","0.0793","","","","","","1.071","","","","has coordinates,has disorder","302650","2025-10-06","09:28:19",""
"1575444","7.06469","0.0001","14.82994","0.00018","18.6508","0.0002","90","","97.677","0.0012","90","","1936.51","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cl N P Pt -","- C20 H27 Cl N P Pt -","- C80 H108 Cl4 N4 P4 Pt4 -","4","1","","Losev, Mikhail A.; Yessengazin, Azamat; Fayzullin, Robert R.; Khaskin, Eugene","Synthesis of a series of PNC pincer ligand-supported Pt complexes, and an initial exploration of their reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13712","13721","10.1039/d5dt01800e","","x-ray","0.71073","MoKα","","0.0203","0.0173","","","0.0365","0.037","","","","","","1.05","","","","has coordinates","302650","2025-10-06","09:28:19",""
"1575445","16.05219","0.00015","16.20871","0.00018","22.95","0.0002","90","","106.845","0.001","90","","5715.05","0.1","100","2","100","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C42.46 H62.91 Ag B3 Cl4.91 F12 N2 O2 P2 Pt2 -","- C42.455 H62.91 Ag B3 Cl4.91 F12 N2 O2 P2 Pt2 -","- C169.82 H251.64 Ag4 B12 Cl19.64 F48 N8 O8 P8 Pt8 -","4","1","","Losev, Mikhail A.; Yessengazin, Azamat; Fayzullin, Robert R.; Khaskin, Eugene","Synthesis of a series of PNC pincer ligand-supported Pt complexes, and an initial exploration of their reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13712","13721","10.1039/d5dt01800e","","x-ray","1.54184","CuKα","","0.0538","0.0472","","","0.1344","0.1407","","","","","","1.062","","","","has coordinates,has disorder","302650","2025-10-06","09:28:19",""
"1575446","13.82467","0.00008","16.86122","0.00013","22.93789","0.00015","90","","90.2558","0.0005","90","","5346.79","0.06","100","2","100","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C41 H66 Ag B3 Cl2 F12 N2 O5 P2 Pt2 -","- C41 H66 Ag B3 Cl2 F12 N2 O5 P2 Pt2 -","- C164 H264 Ag4 B12 Cl8 F48 N8 O20 P8 Pt8 -","4","1","","Losev, Mikhail A.; Yessengazin, Azamat; Fayzullin, Robert R.; Khaskin, Eugene","Synthesis of a series of PNC pincer ligand-supported Pt complexes, and an initial exploration of their reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13712","13721","10.1039/d5dt01800e","","x-ray","1.54184","CuKα","","0.0447","0.0432","","","0.106","0.1069","","","","","","1.123","","","","has coordinates,has disorder","302650","2025-10-06","09:28:19",""
"1575447","11.9352","0.0012","9.6405","0.0011","22.561","0.003","90","","102.676","0.003","90","","2532.6","0.5","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N2 O2 -","- C29 H30 N2 O2 -","- C116 H120 N8 O8 -","4","1","","Mohite, Manali A.; Balakrishna, Maravanji S.","Efficient C(sp3)–H alkylation of fluorene and bisindolylmethane synthesis catalysed by a PNN-Ni complex using alcohols","Catalysis Science & Technology","2025","15","19","5713","5723","10.1039/D5CY00779H","","","0.71073","MoKα","","0.0953","0.0617","","","0.1614","0.185","","","","","","1.025","","","","has coordinates","302391","2025-10-06","06:32:15",""
"1575448","9.162","0.0004","9.3673","0.0005","12.3869","0.0006","82.918","0.004","72.624","0.004","69.889","0.004","952.46","0.09","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N O2 -","- C26 H19 N O2 -","- C52 H38 N2 O4 -","2","1","","Mohite, Manali A.; Balakrishna, Maravanji S.","Efficient C(sp3)–H alkylation of fluorene and bisindolylmethane synthesis catalysed by a PNN-Ni complex using alcohols","Catalysis Science & Technology","2025","15","19","5713","5723","10.1039/D5CY00779H","","x-ray","0.71073","MoKα","","0.0468","0.0399","","","0.0906","0.0965","","","","","","1.079","","","","has coordinates","302391","2025-10-06","06:32:17",""
"1575449","8.9193","0.001","10.1578","0.0011","13.6811","0.0014","69.54","0.003","87.768","0.004","68.277","0.003","1073","0.2","150","2","150","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H20 Br2 -","- C27 H20 Br2 -","- C54 H40 Br4 -","2","1","","Mohite, Manali A.; Balakrishna, Maravanji S.","Efficient C(sp3)–H alkylation of fluorene and bisindolylmethane synthesis catalysed by a PNN-Ni complex using alcohols","Catalysis Science & Technology","2025","15","19","5713","5723","10.1039/D5CY00779H","","","0.71073","MoKα","","0.0614","0.038","","","0.0887","0.099","","","","","","1.043","","","","has coordinates","302391","2025-10-06","06:32:18",""
"1575450","10.1389","0.0011","11.2656","0.0013","18.8705","0.0017","90","","91.136","0.004","90","","2155","0.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Br2 N O2 -","- C26 H17 Br2 N O2 -","- C104 H68 Br8 N4 O8 -","4","1","","Mohite, Manali A.; Balakrishna, Maravanji S.","Efficient C(sp3)–H alkylation of fluorene and bisindolylmethane synthesis catalysed by a PNN-Ni complex using alcohols","Catalysis Science & Technology","2025","15","19","5713","5723","10.1039/D5CY00779H","","","0.71073","MoKα","","0.0949","0.0527","","","0.1134","0.1344","","","","","","0.9936","","","","has coordinates","302391","2025-10-06","06:32:18",""
"1575451","12.3088","0.0001","14.4079","0.0001","14.7028","0.0001","90","","90","","90","","2607.45","0.03","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C128 H96 N16 O24 -","8","1","","Paveliev, Stanislav A.; Dvoretskiy, Andrey; Segida, Oleg O.; Krylov, Igor B.; Terent'ev, Alexander O.","Azides as an unconventional source of iminyl radicals: electrochemically induced synthesis of <i>O</i>-imido oximes from benzyl azides and <i>N</i>-hydroxyimides <i>via</i> N-O coupling.","Chemical communications (Cambridge, England)","2025","61","75","14426","14429","10.1039/d5cc03556b","","x-ray","1.54184","CuKα","","0.033","0.0328","","","0.0829","0.0831","","","","","","1.075","","","","has coordinates","302423","2025-10-06","07:00:07",""
"1575452","37.6643","0.0003","37.6643","0.0003","56.4258","0.0006","90","","90","","90","","80045.6","1.2","100","","100","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C148 H145 N7 O8 -","- C148 H145 N7 O8 -","- C2368 H2320 N112 O128 -","16","1","","Mirzaei, M. Saeed; Mirzaei, Saber; Khosravi, Hormoz; Hernández Sánchez, Raúl","Synthesis of a highly strained deep cavitand.","Chemical communications (Cambridge, England)","2025","61","74","14153","14156","10.1039/d5cc04263a","","x-ray","1.54184","CuKα","","0.2008","0.1662","","","0.4195","0.444","","","","","","1.466","","","","has coordinates","302427","2025-10-06","07:01:36",""
"1575453","11.6147","0.0014","19.821","0.002","21.632","0.003","64.066","0.004","76.749","0.004","75.51","0.004","4294.8","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H47 B11 Br6 N2 Zn -","- C30 H47 B11 Br6 N2 Zn -","- C120 H188 B44 Br24 N8 Zn4 -","4","2","","Łosiewicz, Justyna; Bisai, Milan Kumar; Nichol, Gary S.; Macgregor, Stuart A.; Ingleson, Michael J.","Catalytic transfer zincation using ammonium cations.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16697","16703","10.1039/d5dt01816a","","","0.71073","MoKα","","0.0509","0.0347","","","0.0802","0.0868","","","","","","1.022","","","","has coordinates","303819","2025-11-29","21:06:39",""
"1575454","24.013","0.003","15.247","0.002","13.6379","0.0017","90","","90","","90","","4993.2","1.1","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H36 B2 Fe3 N22 S2 -","- C48 H36 B2 Fe3 N22 S2 -","- C192 H144 B8 Fe12 N88 S8 -","4","0.5","","Kharel, Ranjan; Joshi, Sindhuja; Konar, Sanjit","Dual magnetic bistability with significant coercivity in a photo-responsive 1D Fe<sub>2</sub>Fe cyanide chain.","Chemical communications (Cambridge, England)","2025","61","76","14701","14704","10.1039/d5cc02871j","","","0.71073","MoKα","","0.0578","0.0399","","","0.09","0.1015","","","","","","1.03","","","","has coordinates","302416","2025-10-06","06:57:44",""
"1575455","24.393","0.004","15.4","0.003","13.937","0.002","90","","90","","90","","5235.5","1.5","298","","298","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H36 B2 Fe3 N22 S2 -","- C48 H36 B2 Fe3 N22 S2 -","- C192 H144 B8 Fe12 N88 S8 -","4","0.5","","Kharel, Ranjan; Joshi, Sindhuja; Konar, Sanjit","Dual magnetic bistability with significant coercivity in a photo-responsive 1D Fe<sub>2</sub>Fe cyanide chain.","Chemical communications (Cambridge, England)","2025","61","76","14701","14704","10.1039/d5cc02871j","","","0.71073","MoKα","","0.1179","0.0582","","","0.1059","0.1351","","","","","","1.017","","","","has coordinates","302416","2025-10-06","06:57:44",""
"1575456","24.2557","0.0015","15.3021","0.001","13.8736","0.001","90","","90","","90","","5149.4","0.6","160","","160","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H36 B2 Fe3 N22 S2 -","- C48 H36 B2 Fe3 N22 S2 -","- C192 H144 B8 Fe12 N88 S8 -","4","0.5","","Kharel, Ranjan; Joshi, Sindhuja; Konar, Sanjit","Dual magnetic bistability with significant coercivity in a photo-responsive 1D Fe<sub>2</sub>Fe cyanide chain.","Chemical communications (Cambridge, England)","2025","61","76","14701","14704","10.1039/d5cc02871j","","","0.71073","MoKα","","0.074","0.0471","","","0.1071","0.126","","","","","","1.039","","","","has coordinates","302416","2025-10-06","06:57:44",""
"1575457","9.1264","0.0004","12.833","0.0006","13.3568","0.0006","105.538","0.002","94.907","0.002","105.754","0.002","1429.26","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","(Z)-2-benzyl-2-((9-chloro-5-tosyl-5H-dibenzo[b,g][1,4]oxazocin-7-yl)methyl)malononitrile","","- C32 H24 Cl N3 O3 S -","- C32 H24 Cl N3 O3 S -","- C64 H48 Cl2 N6 O6 S2 -","2","1","","Pu, Yue; Xue, Qiaoli; Yan, Liqin; Xie, Xiaotian; Zhao, Haixia; Tang, Kaijie; Shang, Yongjia; Wang, Jian","Construction of dibenzo[1,4]oxazocines <i>via</i> palladium-catalysed arylalkylation of allenamides.","Chemical communications (Cambridge, England)","2025","61","76","14645","14648","10.1039/d5cc03161c","","x-ray","1.54178","CuKα","","0.0968","0.0851","","","0.2577","0.2817","","","","","","1.185","","","","has coordinates","302414","2025-10-06","06:57:07",""
"1575458","10.7704","0.0005","18.1839","0.0007","18.7207","0.0006","90","","94.687","0.004","90","","3654.1","0.3","297","","297","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Ni(SiMe2Ph)(Bpin)(iPrIM)2","","- C32 H55 B N4 Ni O2 Si -","- C32 H55 B N4 Ni O2 Si -","- C128 H220 B4 N16 Ni4 O8 Si4 -","4","1","","Suga, Yuto; Sunada, Yusuke","Reactivity of a <i>cis</i>-(silyl)(boryl) moiety with a nickel center involving the oxidative addition and reductive elimination of a silylborane.","Chemical communications (Cambridge, England)","2025","61","75","14370","14373","10.1039/d5cc03463a","","x-ray","0.71073","MoKα","","0.1099","0.0549","","","0.1017","0.1156","","","","","","1.01","","","","has coordinates","302425","2025-10-06","07:00:34",""
"1575459","15.0604","0.0005","9.9004","0.0003","19.0001","0.0006","90","","93.959","0.003","90","","2826.23","0.16","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ni(Cy-allene)(iPrIM)2","","- C27 H46 N4 Ni -","- C27 H46 N4 Ni -","- C108 H184 N16 Ni4 -","4","1","","Suga, Yuto; Sunada, Yusuke","Reactivity of a <i>cis</i>-(silyl)(boryl) moiety with a nickel center involving the oxidative addition and reductive elimination of a silylborane.","Chemical communications (Cambridge, England)","2025","61","75","14370","14373","10.1039/d5cc03463a","","x-ray","0.71073","MoKα","","0.053","0.035","","","0.0777","0.0831","","","","","","1.039","","","","has coordinates","302425","2025-10-06","07:00:35",""
"1575460","14.6148","0.0005","18.4469","0.0009","24.2042","0.001","112.296","0.004","93.446","0.003","105.01","0.003","5739.2","0.5","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C16 H136 B6 Ge4 N8 Na2 Ni24 O206 W41.34 -","- C16 H72 B6 Ge4 N8 Na2 Ni24 O206 W41.334 -","- C16 H72 B6 Ge4 N8 Na2 Ni24 O206 W41.334 -","1","0.5","","Lian, Chen; Yang, Guo-Yu","A tetrameric polyoxometalate with two orderly and dense double-layered {Ni<sub>12</sub>W<sub>8/3</sub>} cluster centers.","Chemical communications (Cambridge, England)","2025","61","75","14402","14405","10.1039/d5cc04198h","","","0.71073","MoKα","","0.107","0.0604","","","0.1639","0.2248","","","","","","1.042","","","","has coordinates","302424","2025-10-06","07:00:19",""
"1575461","14.0034","0.0011","14.5552","0.0011","14.8701","0.0011","71.802","0.006","77.731","0.006","88.727","0.006","2810.3","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H82 Ag N5 Si2 -","- C58 H82 Ag N5 Si2 -","- C116 H164 Ag2 N10 Si4 -","2","1","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","x-ray","0.71073","MoKα","","0.0461","0.0329","","","0.0833","0.0864","","","","","","1.056","","","","has coordinates,has disorder","302528","2025-10-06","07:49:57",""
"1575462","23.348","0.006","13.839","0.004","25.682","0.009","90","","112.95","0.02","90","","7641","4","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H85 Ag Au D24 N5 Si2 -","- C84 H85 Ag Au D24 N5 Si2 -","- C336 H340 Ag4 Au4 D96 N20 Si8 -","4","0.5","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","x-ray","0.71073","MoKα","","0.0766","0.0436","","","0.0898","0.1027","","","","","","1.017","","","","has coordinates,has disorder","302528","2025-10-06","07:49:57",""
"1575463","23.4582","0.0017","13.7319","0.0008","25.714","0.0019","90","","113.237","0.005","90","","7611.2","0.9","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H85 Au2 D24 N5 Si2 -","- C84 H85 Au2 D24 N5 Si2 -","- C336 H340 Au8 D96 N20 Si8 -","4","0.5","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","x-ray","0.71073","MoKα","","0.0495","0.0365","","","0.0941","0.0989","","","","","","1.046","","","","has coordinates,has disorder","302528","2025-10-06","07:49:57",""
"1575464","7.325","0.0003","8.2648","0.0004","13.297","0.0006","92.91","0.004","103.14","0.004","92.282","0.004","781.82","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H23 Au N2 -","- C16 H23 Au N2 -","- C32 H46 Au2 N4 -","2","1","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","x-ray","0.71073","MoKα","","0.0309","0.0285","","","0.0772","0.078","","","","","","1.142","","","","has coordinates","302528","2025-10-06","07:49:57",""
"1575465","12.4819","0.0019","15.9578","0.0012","16.797","0.0014","71.514","0.006","69.239","0.01","70.868","0.01","2878.2","0.6","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H74 Au D9 N5 Si2 -","- C60 H74 Au D9 N5 Si2 -","- C120 H148 Au2 D18 N10 Si4 -","2","1","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","x-ray","0.71073","MoKα","","0.0353","0.0294","","","0.0713","0.0736","","","","","","1.038","","","","has coordinates,has disorder","302528","2025-10-06","07:49:57",""
"1575466","13.0057","0.001","25.263","0.002","17.7227","0.0015","90","","98.425","0.006","90","","5760.2","0.8","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H85 Ag2 N5 Si2 -","- C60 H85 Ag2 N5 Si2 -","- C240 H340 Ag8 N20 Si8 -","4","1","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","","1.34143","GaKα","","0.0315","0.0232","","","0.0561","0.0576","","","","","","0.952","","","","has coordinates,has disorder","302528","2025-10-06","07:49:57",""
"1575467","39.2308","0.0009","18.5805","0.0003","21.8747","0.0005","90","","105.85","0.002","90","","15338.8","0.6","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H109 Au2 N5 Si2 -","- C60 H85 Au2 N5 Si2 -","- C480 H680 Au16 N40 Si16 -","8","1","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","x-ray","0.71073","MoKα","","0.0678","0.0596","","","0.1433","0.1486","","","","","","1.068","","","","has coordinates","302528","2025-10-06","07:49:57",""
"1575468","9.8944","0.0004","10.078","0.0004","27.6271","0.0011","90","","90","","90","","2754.86","0.19","120.01","0.1","120.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H18 I N O3 -","- C12 H18 I N O3 -","- C96 H144 I8 N8 O24 -","8","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","0.71073","MoKα","","0.0347","0.025","","","0.0631","0.0671","","","","","","1.063","","","","has coordinates","302483","2025-10-06","07:33:58",""
"1575469","8.5894","0.0002","16.0241","0.0004","10.5135","0.0003","90","","92.256","0.002","90","","1445.93","0.06","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H20 I N O3 -","- C13 H20 I N O3 -","- C52 H80 I4 N4 O12 -","4","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","0.71073","MoKα","","0.0188","0.0181","","","0.0414","0.0419","","","","","","1.043","","","","has coordinates","302483","2025-10-06","07:34:00",""
"1575470","9.09315","0.00015","8.55139","0.00012","11.5954","0.0002","90","","106.709","0.0019","90","","863.58","0.03","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 I N -","- C7 H10 I N -","- C28 H40 I4 N4 -","4","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","1.54184","CuKα","","0.0366","0.0349","","","0.0976","0.1012","","","","","","0.839","","","","has coordinates","302483","2025-10-06","07:34:04",""
"1575471","6.6275","0.0001","11.3005","0.0001","14.8296","0.0002","90","","98.507","0.001","90","","1098.43","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 I N O3 -","- C9 H14 I N O3 -","- C36 H56 I4 N4 O12 -","4","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","1.54184","CuKα","","0.0234","0.0229","","","0.0639","0.0644","","","","","","1.091","","","","has coordinates","302483","2025-10-06","07:34:05",""
"1575472","9.2772","0.0001","16.3448","0.0002","7.9435","0.0001","90","","99.375","0.001","90","","1188.42","0.02","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Br N O3 -","- C11 H16 Br N O3 -","- C44 H64 Br4 N4 O12 -","4","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","1.54184","CuKα","","0.0278","0.0248","","","0.0642","0.0657","","","","","","1.063","","","","has coordinates","302483","2025-10-06","07:34:05",""
"1575473","14.3171","0.0004","10.7495","0.0004","8.9701","0.0002","90","","90.739","0.002","90","","1380.4","0.07","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 I N O3 -","- C12 H18 I N O3 -","- C48 H72 I4 N4 O12 -","4","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","1.54184","CuKα","","0.0651","0.0617","","","0.162","0.1656","","","","","","1.036","","","","has coordinates,has disorder","302483","2025-10-06","07:34:05",""
"1575474","6.3438","0.0002","12.3508","0.0004","15.0717","0.0004","90","","98.931","0.003","90","","1166.57","0.06","120","11","120","11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H64 I4 N4 O12 -","- C40 H64 I4 N4 O12 -","- C40 H64 I4 N4 O12 -","1","0.25","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","0.71073","MoKα","","0.0269","0.0225","","","0.0517","0.0535","","","","","","1.049","","","","has coordinates","302483","2025-10-06","07:34:05",""
"1575475","8.9463","0.0001","12.7534","0.0003","17.3129","0.0003","105.939","0.002","93.744","0.002","94.017","0.001","1887.35","0.06","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 I2 N2 O6 -","- C30 H38 I2 N2 O6 -","- C60 H76 I4 N4 O12 -","2","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","1.54184","CuKα","","0.0804","0.0697","","","0.1966","0.2054","","","","","","1.094","","","","has coordinates,has disorder","302483","2025-10-06","07:34:05",""
"1575476","15.38142","0.00013","9.39589","0.00008","27.96","0.0002","90","","104.793","0.0009","90","","3906.9","0.06","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H88 Cl4 I4 N4 O12 -","- C74 H88 Cl4 I4 N4 O12 -","- C148 H176 Cl8 I8 N8 O24 -","2","0.5","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","1.54184","CuKα","","0.0419","0.0375","","","0.0995","0.1033","","","","","","1.026","","","","has coordinates","302483","2025-10-06","07:34:05",""
"1575477","7.7243","0.0003","7.7243","0.0003","6.2204","0.0004","90","","90","","120","","321.42","0.03","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ga2 In3 K S8 -","- Ga2 In3 K S8 -","- Ga2 In3 K S8 -","1","0.0833333","","Xie, Yun; Yao, Wen-Dong; Du, Qiu-Yang; Zhou, Wenfeng; Suen, Nian-Tzu; Liu, Wenlong; Guo, Sheng-Ping","From NaSc<sub>3</sub>Ga<sub>2</sub>Q<sub>8</sub> (Q = S, Se) to KGa<sub>2</sub>In<sub>3</sub>S<sub>8</sub>: substitution of Sc<sup>3+</sup> with In<sup>3+</sup> to achieve doubled birefringence.","Chemical science","2025","16","37","17207","17213","10.1039/d5sc03501e","","","0.71073","MoKα","","0.0226","0.0225","","","0.0619","0.062","","","","","","1.157","","","","has coordinates","302486","2025-10-06","07:35:13",""
"1575478","7.6307","0.0003","7.6307","0.0003","6.1118","0.0003","90","","90","","120","","308.2","0.02","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ga2 Na S8 Sc3 -","- Ga2 Na S8 Sc3 -","- Ga2 Na S8 Sc3 -","1","0.0833333","","Xie, Yun; Yao, Wen-Dong; Du, Qiu-Yang; Zhou, Wenfeng; Suen, Nian-Tzu; Liu, Wenlong; Guo, Sheng-Ping","From NaSc<sub>3</sub>Ga<sub>2</sub>Q<sub>8</sub> (Q = S, Se) to KGa<sub>2</sub>In<sub>3</sub>S<sub>8</sub>: substitution of Sc<sup>3+</sup> with In<sup>3+</sup> to achieve doubled birefringence.","Chemical science","2025","16","37","17207","17213","10.1039/d5sc03501e","","","0.71073","MoKα","","0.0096","0.0095","","","0.0258","0.0258","","","","","","1.291","","","","has coordinates","302486","2025-10-06","07:35:13",""
"1575479","7.9489","0.0004","7.9489","0.0004","6.4065","0.0004","90","","90","","120","","350.56","0.03","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ga2 Na Sc3 Se8 -","- Ga2 Na Sc3 Se8 -","- Ga2 Na Sc3 Se8 -","1","0.0833333","","Xie, Yun; Yao, Wen-Dong; Du, Qiu-Yang; Zhou, Wenfeng; Suen, Nian-Tzu; Liu, Wenlong; Guo, Sheng-Ping","From NaSc<sub>3</sub>Ga<sub>2</sub>Q<sub>8</sub> (Q = S, Se) to KGa<sub>2</sub>In<sub>3</sub>S<sub>8</sub>: substitution of Sc<sup>3+</sup> with In<sup>3+</sup> to achieve doubled birefringence.","Chemical science","2025","16","37","17207","17213","10.1039/d5sc03501e","","","0.71073","MoKα","","0.0144","0.0129","","","0.0302","0.0307","","","","","","1.249","","","","has coordinates","302486","2025-10-06","07:35:13",""
"1575480","13.7578","0.0013","15.9691","0.0016","20.936","0.002","102.507","0.005","97.552","0.005","110.27","0.005","4104","0.7","296","2","296.29","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 N4 S4 Si2 -","- C42 H36 N4 S4 Si2 -","- C168 H144 N16 S16 Si8 -","4","2","","Wang, Chenglong; Yang, Jie; Miao, Guanfeng; Ma, Zhiying; Wang, Guangxia; Wang, Hua","Ag-induced homochiral <i>versus</i> heterochiral double helicates based on cyclooctatetrathiophene-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13048","13052","10.1039/d5dt01584g","","","1.54178","CuKα","","0.0617","0.0453","","","0.1141","0.1248","","","","","","1.033","","","","has coordinates,has disorder","302666","2025-10-06","09:37:55",""
"1575481","12.7656","0.0007","28.28","0.002","12.167","0.0007","90","","93.871","0.002","90","","4382.4","0.5","298","2","298.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H37 Cl3 N4 S4 Si2 -","- C43 H37 Cl3 N4 S4 Si2 -","- C172 H148 Cl12 N16 S16 Si8 -","4","1","","Wang, Chenglong; Yang, Jie; Miao, Guanfeng; Ma, Zhiying; Wang, Guangxia; Wang, Hua","Ag-induced homochiral <i>versus</i> heterochiral double helicates based on cyclooctatetrathiophene-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13048","13052","10.1039/d5dt01584g","","","0.71073","MoKα","","0.1602","0.0792","","","0.1925","0.2491","","","","","","1.028","","","","has coordinates","302666","2025-10-06","09:37:56",""
"1575482","20.4001","0.0008","12.3504","0.0005","12.3248","0.0005","90","","90","","90","","3105.2","0.2","100","","100","","","","","","","","","5","P n n a","-P 2a 2bc","52","","bis(adiponitrile)lithium hexafluorophosphate","","- C12 H16 I Li N4 -","- C12 H16 I Li N4 -","- C96 H128 I8 Li8 N32 -","8","1","","Paul, Shujit Chandra; Goddard III, William A.; Zdilla, Michael J.; Prakash, Prabhat; Wunder, Stephanie Louisa","Grain Boundary Tuning Determines Iodide and Lithium-Ion Migration in a Solid Adiponitrile-LiI Molecular Crystal Electrolyte","Materials Horizons","2025","","","","","10.1039/D5MH00900F","","","0.71073","MoKα","","0.0321","0.0232","","","0.0439","0.0481","","","","","","1.073","","","","has coordinates","301763","2025-08-16","01:56:49",""
"1575483","10.1982","0.0004","14.351","0.0006","15.6944","0.0007","114.008","0.004","98.048","0.004","95.365","0.003","2048.62","0.17","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H41 F6 N2 O7 P S -","- C41 H40.8485 F6 N2 O7 P S -","- C82 H81.697 F12 N4 O14 P2 S2 -","2","1","","Ma, Sibo; Asada, Yuichi; Yamaguchi, Shigehiro; Taki, Masayasu","Unsymmetric thieno-phospha-rhodamines: a new class of near-infrared fluorescent probes for stimuli-responsive organelle imaging.","Chemical communications (Cambridge, England)","2025","61","76","14653","14656","10.1039/d5cc03133h","","","0.71073","MoKα","","0.1089","0.0561","","","0.1238","0.1412","","","","","","1.001","","","","has coordinates","302415","2025-10-06","06:57:24",""
"1575484","16.704","0.002","17.589","0.004","17.835","0.004","90","","93.901","0.016","90","","5227.9","1.8","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-[bis(pentamethylcyclopentadienyl)ytterbium(4,4'-bipyridine)]","","- C60 H76 N4 Yb2 -","- C60 H76 N4 Yb2 -","- C240 H304 N16 Yb8 -","4","1","","Luneva, Evgeniia; Dunstan, Maja A.; Aribot, Frédéric; Yutronkie, Nathan J.; McPeak, Joseph E.; Rogalev, Andrei; Nocton, Grégory; Pedersen, Kasper S.","4f-intermediate valence in an ytterbium-bipyridine coordination solid.","Chemical communications (Cambridge, England)","2025","61","77","14999","15002","10.1039/d5cc04048e","","x-ray","1.54184","CuKα","","0.3299","0.1556","","","0.3191","0.4491","","","","","","0.962","","","","has coordinates","302411","2025-10-06","06:55:59",""
"1575485","9.5522","0.0017","16.718","0.003","18.078","0.003","90","","99.643","0.017","90","","2846.2","0.9","120","0.2","120","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","catena-[bis(pentamethylcyclopentadienyl)ytterbium(2,2'-methyl-4,4'-bipyridine)]","","- C32 H42 N2 Yb -","- C32 H42 N2 Yb -","- C128 H168 N8 Yb4 -","4","1","","Luneva, Evgeniia; Dunstan, Maja A.; Aribot, Frédéric; Yutronkie, Nathan J.; McPeak, Joseph E.; Rogalev, Andrei; Nocton, Grégory; Pedersen, Kasper S.","4f-intermediate valence in an ytterbium-bipyridine coordination solid.","Chemical communications (Cambridge, England)","2025","61","77","14999","15002","10.1039/d5cc04048e","","x-ray","1.54184","CuKα","","0.1768","0.0772","","","0.1543","0.2203","","","","","","0.94","","","","has coordinates","302411","2025-10-06","06:56:00",""
"1575486","7.9011","0.0004","8.6147","0.0004","12.0695","0.0006","88.211","0.002","79.574","0.001","82.854","0.001","801.65","0.07","112","","112","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C40 H34 N2 O10 -","2","1","","Fang, Sheng; Chen, Wang-Liang; Meng, Yuan-Jie; Zhang, Shang-Shi; Feng, Peng-Ju; Shu, Bing","Iridium-catalyzed [(5+1)-1] annulation of pyridinium 1,4-zwitterionic thiolates and sulfoxonium ylides: a versatile platform to indolizines.","Chemical communications (Cambridge, England)","2025","61","76","14725","14728","10.1039/d5cc03199k","","","1.54178","CuKα","","0.0437","0.0423","","","0.1051","0.1058","","","","","","1.077","","","","has coordinates","302417","2025-10-06","06:57:55",""
"1575487","7.4985","0.0003","10.3309","0.0005","13.0455","0.0006","77.258","0.002","77.74","0.001","72.634","0.002","929.04","0.07","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N2 O S -","- C22 H20 N2 O S -","- C44 H40 N4 O2 S2 -","2","1","","Zhang, Yun; Zhang, Zhehao; He, Yong-Ke; Zhang, Jun; Wu, Jie","Regioselective C7 sulfinylation of 4-aminoindoles with sulfinates.","Chemical communications (Cambridge, England)","2025","61","76","14689","14692","10.1039/d5cc03623b","","","1.54178","CuKα","","0.0866","0.0839","","","0.215","0.2179","","","","","","1.101","","","","has coordinates","302419","2025-10-06","06:58:45",""
"1575488","7.6256","0.0009","9.9455","0.0012","11.2468","0.0012","105.643","0.007","97.748","0.007","104.859","0.007","774.61","0.16","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 F3 N2 O S -","- C16 H13 F3 N2 O S -","- C32 H26 F6 N4 O2 S2 -","2","1","","Zhang, Yun; Zhang, Zhehao; He, Yong-Ke; Zhang, Jun; Wu, Jie","Regioselective C7 sulfinylation of 4-aminoindoles with sulfinates.","Chemical communications (Cambridge, England)","2025","61","76","14689","14692","10.1039/d5cc03623b","","","1.54178","CuKα","","0.0601","0.0558","","","0.1605","0.1645","","","","","","1.064","","","","has coordinates","302419","2025-10-06","06:58:47",""
"1575489","13.9342","0.0003","15.3376","0.0004","37.3733","0.0009","90","","99.012","0.001","90","","7888.7","0.3","170","","170","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 Cl3 F6 N5 P Pt -","- C36 H47 Cl3 F6 N5 P Pt -","- C288 H376 Cl24 F48 N40 P8 Pt8 -","8","2","","Du, Xianchao; Liu, Xiang; Liu, Qianyun; Zong, Luyi; Xing, Xiaojing; Cheng, Xinfeng; Qiu, Dongfang; Yuan, Mao-Sen","Modulating supramolecular Pt⋯Pt interactions and π-π stacking for high-contrast mechanochromic and vapochromic materials.","Chemical communications (Cambridge, England)","2025","61","76","14657","14660","10.1039/d5cc04142b","","","0.71073","MoKα","","0.0696","0.0478","","","0.1105","0.1243","","","","","","1.027","","","","has coordinates,has disorder","302422","2025-10-06","06:59:46",""
"1575490","10.7254","0.0007","19.8355","0.0011","16.0902","0.001","90","","109.043","0.002","90","","3235.8","0.3","149.99","","149.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Al Br Cl4 P2 -","- C28 H34 Al Br Cl4 P2 -","- C112 H136 Al4 Br4 Cl16 P8 -","4","1","","Al-Zuhaika, Nahil; Severin, Simon; Schmuckler, Madeleine D.; Lough, Alan J.; Stephan, Douglas W.","A facile route to <i>cis</i>-olefin-linked phosphino-phosphonium salts of the form: [Ph<sub>2</sub>PC(R)C(H)P(R')<sub>2</sub>H][AlCl<sub>4</sub>].","Chemical communications (Cambridge, England)","2025","61","77","14967","14970","10.1039/d5cc03456f","","","0.71073","MoKα","","0.0308","0.0245","","","0.0569","0.059","","","","","","1.0332","","","","has coordinates","302410","2025-10-06","06:55:41",""
"1575491","10.79","0.002","12.56","0.002","13.068","0.002","92.792","0.011","94.984","0.012","108.606","0.011","1666.6","0.5","149.99","","149.99","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H42 Al Cl4 P2 -","- C29 H42 Al Cl4 P2 -","- C58 H84 Al2 Cl8 P4 -","2","1","","Al-Zuhaika, Nahil; Severin, Simon; Schmuckler, Madeleine D.; Lough, Alan J.; Stephan, Douglas W.","A facile route to <i>cis</i>-olefin-linked phosphino-phosphonium salts of the form: [Ph<sub>2</sub>PC(R)C(H)P(R')<sub>2</sub>H][AlCl<sub>4</sub>].","Chemical communications (Cambridge, England)","2025","61","77","14967","14970","10.1039/d5cc03456f","","","0.71073","MoKα","","0.1489","0.1012","","","0.2621","0.301","","","","","","1.0781","","","","has coordinates","302410","2025-10-06","06:55:42",""
"1575492","8.1559","0.0004","19.8934","0.001","19.7435","0.0008","90","","92.113","0.003","90","","3201.2","0.3","150.01","","150.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 Br P2 -","- C38 H37 Br P2 -","- C152 H148 Br4 P8 -","4","1","","Al-Zuhaika, Nahil; Severin, Simon; Schmuckler, Madeleine D.; Lough, Alan J.; Stephan, Douglas W.","A facile route to <i>cis</i>-olefin-linked phosphino-phosphonium salts of the form: [Ph<sub>2</sub>PC(R)C(H)P(R')<sub>2</sub>H][AlCl<sub>4</sub>].","Chemical communications (Cambridge, England)","2025","61","77","14967","14970","10.1039/d5cc03456f","","","1.54178","CuKα","","0.1142","0.0578","","","0.1226","0.1485","","","","","","1.0291","","","","has coordinates","302410","2025-10-06","06:55:42",""
"1575493","13.1949","0.0006","10.1933","0.0002","17.92","0.006","90","","101.678","0.014","90","","2360.3","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 I5 N2 S2 -","- C22 H17 I5 N2 S2 -","- C88 H68 I20 N8 S8 -","4","0.5","","Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V.","Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties","CrystEngComm","2025","27","38","6283","6294","10.1039/D5CE00638D","","x-ray","0.71073","MoKα","","0.0912","0.061","","","0.1798","0.2432","","","","","","1.086","","","","has coordinates","302594","2025-10-06","08:35:03",""
"1575494","13.1052","0.0009","10.1023","0.0003","17.643","0.009","90","","102","0.02","90","","2284.8","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 I5 N2 S2 -","- C22 H17 I5 N2 S2 -","- C88 H68 I20 N8 S8 -","4","0.5","","Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V.","Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties","CrystEngComm","2025","27","38","6283","6294","10.1039/D5CE00638D","","x-ray","0.71073","MoKα","","0.0958","0.0623","","","0.1922","0.2512","","","","","","0.995","","","","has coordinates","302594","2025-10-06","08:35:04",""
"1575495","13.2397","0.0008","10.27","0.0003","18.056","0.008","90","","101.603","0.019","90","","2404.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 I5 N2 S2 -","- C22 H17 I5 N2 S2 -","- C88 H68 I20 N8 S8 -","4","0.5","","Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V.","Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties","CrystEngComm","2025","27","38","6283","6294","10.1039/D5CE00638D","","x-ray","0.71073","MoKα","","0.0618","0.0482","","","0.1157","0.1277","","","","","","1.149","","","","has coordinates","302594","2025-10-06","08:35:04",""
"1575496","13.3167","0.0003","11.0072","0.0002","18.382","0.005","90","","98.32","0.009","90","","2666.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 I5 N2 S2 -","- C22 H18 I5 N2 S2 -","- C88 H72 I20 N8 S8 -","4","0.5","","Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V.","Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties","CrystEngComm","2025","27","38","6283","6294","10.1039/D5CE00638D","","x-ray","0.71073","MoKα","","0.0392","0.0294","","","0.0671","0.0738","","","","","","0.867","","","","has coordinates","302594","2025-10-06","08:35:04",""
"1575497","13.1291","0.0004","10.7512","0.0002","17.97","0.006","90","","99.674","0.011","90","","2500.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 I5 N2 S2 -","- C22 H17 I5 N2 S2 -","- C88 H68 I20 N8 S8 -","4","0.5","","Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V.","Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties","CrystEngComm","2025","27","38","6283","6294","10.1039/D5CE00638D","","x-ray","0.71073","MoKα","","0.0391","0.0298","","","0.076","0.0825","","","","","","1.008","","","","has coordinates","302594","2025-10-06","08:35:04",""
"1575498","13.1989","0.0004","10.8516","0.0002","18.127","0.005","90","","98.788","0.009","90","","2565.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 I5 N2 S2 -","- C22 H17 I5 N2 S2 -","- C88 H68 I20 N8 S8 -","4","0.5","","Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V.","Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties","CrystEngComm","2025","27","38","6283","6294","10.1039/D5CE00638D","","x-ray","0.71073","MoKα","","0.0402","0.0296","","","0.0699","0.0782","","","","","","1.027","","","","has coordinates","302594","2025-10-06","08:35:04",""
"1575499","8.7103","0.0005","7.0222","0.0004","38.587","0.002","90","","93.329","0.002","90","","2356.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3-hydroxypyridinium).(9- anthracenecarboxylate).(trinitrobenzene)","","- C26 H18 N4 O9 -","- C26 H18 N4 O9 -","- C104 H72 N16 O36 -","4","1","","Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas","Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective","CrystEngComm","2025","27","36","5971","5982","10.1039/D5CE00338E","","x-ray","0.71073","MoKα","","0.0566","0.0452","","","0.1153","0.1226","","","","","","1.035","","","","has coordinates","302579","2025-10-06","08:29:26",""
"1575500","10.0194","0.0006","10.189","0.0007","10.6551","0.0007","98.069","0.003","92.813","0.003","108.239","0.003","1017.86","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(3-hydroxypyridinium).(9- anthracenecarboxylate).(trinitrobenzene)","","- C46 H33 N5 O12 -","- C46 H33 N5 O12 -","- C46 H33 N5 O12 -","1","0.5","","Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas","Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective","CrystEngComm","2025","27","36","5971","5982","10.1039/D5CE00338E","","x-ray","0.71073","MoKα","","0.0553","0.0461","","","0.1315","0.1396","","","","","","1.044","","","","has coordinates,has disorder","302579","2025-10-06","08:29:29",""
"1575501","12.7283","0.0007","24.2867","0.0012","7.7022","0.0004","90","","101.17","0.002","90","","2335.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3-hydroxypyridinium).(9- anthracenecarboxylate).(trinitrobenzene)","","- C26 H18 N4 O9 -","- C26 H18 N4 O9 -","- C104 H72 N16 O36 -","4","1","","Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas","Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective","CrystEngComm","2025","27","36","5971","5982","10.1039/D5CE00338E","","x-ray","0.71073","MoKα","","0.0542","0.0459","","","0.1214","0.1293","","","","","","1.011","","","","has coordinates","302579","2025-10-06","08:29:29",""
"1575502","12.7859","0.0015","7.2453","0.0008","25.434","0.003","90","","98.451","0.004","90","","2330.6","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3-hydroxypyridinium).(9- anthracenecarboxylate).(trinitrobenzene)","","- C26 H18 N4 O9 -","- C26 H18 N4 O9 -","- C104 H72 N16 O36 -","4","1","","Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas","Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective","CrystEngComm","2025","27","36","5971","5982","10.1039/D5CE00338E","","x-ray","0.71073","MoKα","","0.0886","0.0619","","","0.1607","0.1747","","","","","","1.102","","","","has coordinates","302579","2025-10-06","08:29:30",""
"1575503","5.34861","0.00021","9.22223","0.00027","5.66321","0.00015","90","","108.542","0.0029","90","","264.844","0.015","298","","298","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","sodium magnesium cobalt nickel copper zinc antimony(+5) oxide","","- Co0.4 Cu0.4 Mg0.4 Na3 Ni0.4 O6 Sb Zn0.4 -","- Co0.4 Cu0.4 Mg0.4 Na3 Ni0.4 O6 Sb0.9998 Zn0.4 -","- Co0.8 Cu0.8 Mg0.8 Na6 Ni0.8 O12 Sb1.9996 Zn0.8 -","2","0.25","","Nalbandyan, Vladimir B.; Shukaev, Igor L.; Popov, Yuri V.; Vasiliev, Alexander N.; Vasilchikova, Tatyana M.","Structure and magnetic properties of high-entropy honeycomb-layered A<sub>3</sub>Q<sub>2</sub>SbO<sub>6</sub> (A = Li or Na; Q = Co<sub>1/5</sub>Ni<sub>1/5</sub>Cu<sub>1/5</sub>Mg<sub>1/5</sub>Zn<sub>1/5</sub>).","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13738","13746","10.1039/d5dt01771h","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.05857","","1.31","","","","","","","has coordinates","302648","2025-10-06","09:26:57",""
"1575504","5.27212","0.00012","8.91503","0.00018","5.24207","0.00011","90","","111.672","0.0015","90","","228.967","0.009","298","","298","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","lithium magnesium cobalt nickel copper zinc antimony(+5) oxide","","- Co0.4 Cu0.4 Li3 Mg0.4 Ni0.4 O6 Sb Zn0.4 -","- Co0.3999 Cu0.3999 Li2.9999 Mg0.4 Ni0.4 O6 Sb Zn0.4 -","- Co0.7998 Cu0.7998 Li5.9998 Mg0.8 Ni0.8 O12 Sb2 Zn0.8 -","2","0.25","","Nalbandyan, Vladimir B.; Shukaev, Igor L.; Popov, Yuri V.; Vasiliev, Alexander N.; Vasilchikova, Tatyana M.","Structure and magnetic properties of high-entropy honeycomb-layered A<sub>3</sub>Q<sub>2</sub>SbO<sub>6</sub> (A = Li or Na; Q = Co<sub>1/5</sub>Ni<sub>1/5</sub>Cu<sub>1/5</sub>Mg<sub>1/5</sub>Zn<sub>1/5</sub>).","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13738","13746","10.1039/d5dt01771h","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.05884","","1.19","","","","","","","has coordinates","302648","2025-10-06","09:26:57",""
"1575505","14.3647","0.0002","14.9049","0.0002","16.6539","0.0002","90","","114.959","0.002","90","","3232.68","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Au F3 N2 Se -","- C34 H40 Au F3 N2 Se -","- C136 H160 Au4 F12 N8 Se4 -","4","1","","Arnaut, Pierre; Pozsoni, Nestor Bracho; Bondar, Denys; Lippmann, Petra; Boschuk, Susanne; Semenyuta, Ivan; Bhandary, Subhrajyoti; Van Hecke, Kristof; Karpichev, Yevgen; Cavarzerani, Enrico; Canzonieri, Vincenzo; Rizzolio, Flavio; Scattolin, Thomas; Vougioukalakis, Georgios C.; Ott, Ingo; Tzouras, Nikolaos V.; Nolan, Steven P.","A new generation of N-heterocyclic carbene (NHC) gold-selenolato complexes as potent anticancer agents: distinct synthetic routes and evaluation in 2D and 3D cancer models.","Chemical science","2025","16","37","17221","17231","10.1039/d5sc04490a","","x-ray","1.54184","CuKα","","0.036","0.0286","","","0.0649","0.0683","","","","","","1.026","","","","has coordinates,has disorder","302479","2025-10-06","07:30:49",""
"1575506","16.2159","0.0001","12.088","0.0001","19.2106","0.0001","90","","100.741","0.001","90","","3699.64","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H57 Au N2 Se -","- C41 H57 Au N2 Se -","- C164 H228 Au4 N8 Se4 -","4","1","","Arnaut, Pierre; Pozsoni, Nestor Bracho; Bondar, Denys; Lippmann, Petra; Boschuk, Susanne; Semenyuta, Ivan; Bhandary, Subhrajyoti; Van Hecke, Kristof; Karpichev, Yevgen; Cavarzerani, Enrico; Canzonieri, Vincenzo; Rizzolio, Flavio; Scattolin, Thomas; Vougioukalakis, Georgios C.; Ott, Ingo; Tzouras, Nikolaos V.; Nolan, Steven P.","A new generation of N-heterocyclic carbene (NHC) gold-selenolato complexes as potent anticancer agents: distinct synthetic routes and evaluation in 2D and 3D cancer models.","Chemical science","2025","16","37","17221","17231","10.1039/d5sc04490a","","x-ray","1.54184","CuKα","","0.0221","0.0204","","","0.0494","0.0501","","","","","","1.065","","","","has coordinates","302479","2025-10-06","07:30:52",""
"1575507","8.7144","0.0002","20.8566","0.0004","20.6486","0.0004","90","","97.971","0.002","90","","3716.68","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 Au N2 Se -","- C43 H45 Au N2 Se -","- C172 H180 Au4 N8 Se4 -","4","1","","Arnaut, Pierre; Pozsoni, Nestor Bracho; Bondar, Denys; Lippmann, Petra; Boschuk, Susanne; Semenyuta, Ivan; Bhandary, Subhrajyoti; Van Hecke, Kristof; Karpichev, Yevgen; Cavarzerani, Enrico; Canzonieri, Vincenzo; Rizzolio, Flavio; Scattolin, Thomas; Vougioukalakis, Georgios C.; Ott, Ingo; Tzouras, Nikolaos V.; Nolan, Steven P.","A new generation of N-heterocyclic carbene (NHC) gold-selenolato complexes as potent anticancer agents: distinct synthetic routes and evaluation in 2D and 3D cancer models.","Chemical science","2025","16","37","17221","17231","10.1039/d5sc04490a","","x-ray","1.54184","CuKα","","0.0369","0.0285","","","0.0643","0.0677","","","","","","1.061","","","","has coordinates","302479","2025-10-06","07:31:02",""
"1575508","16.7867","0.0002","12.45932","0.00018","14.675","0.0003","90","","90","","90","","3069.29","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H43 Au N2 Se -","- C33 H43 Au N2 Se -","- C132 H172 Au4 N8 Se4 -","4","1","","Arnaut, Pierre; Pozsoni, Nestor Bracho; Bondar, Denys; Lippmann, Petra; Boschuk, Susanne; Semenyuta, Ivan; Bhandary, Subhrajyoti; Van Hecke, Kristof; Karpichev, Yevgen; Cavarzerani, Enrico; Canzonieri, Vincenzo; Rizzolio, Flavio; Scattolin, Thomas; Vougioukalakis, Georgios C.; Ott, Ingo; Tzouras, Nikolaos V.; Nolan, Steven P.","A new generation of N-heterocyclic carbene (NHC) gold-selenolato complexes as potent anticancer agents: distinct synthetic routes and evaluation in 2D and 3D cancer models.","Chemical science","2025","16","37","17221","17231","10.1039/d5sc04490a","","x-ray","1.54184","CuKα","","0.0639","0.0502","","","0.1156","0.1244","","","","","","1.036","","","","has coordinates","302479","2025-10-06","07:31:12",""
"1575509","24.2212","0.0007","13.1556","0.0004","24.2421","0.0008","90","","114.608","0.002","90","","7023","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","MB043","","- C55 H105 N O2 S Sb2 Si8 -","- C55 H105 N O2 S Sb2 Si8 -","- C220 H420 N4 O8 S4 Sb8 Si32 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","x-ray","0.71073","MoKα","","0.0878","0.0494","","","0.1072","0.1235","","","","","","1.001","","","","has coordinates","302518","2025-10-06","07:47:14",""
"1575510","24.8225","0.0013","13.0211","0.0006","24.1973","0.0012","90","","116.486","0.002","90","","7000.1","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","PP-TR75","","- C51 H107 N Sb2 Si9 -","- C51 H107 N Sb2.0002 Si9 -","- C204 H428 N4 Sb8.0008 Si36 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","x-ray","0.71073","MoKα","","0.0425","0.0338","","","0.0857","0.0922","","","","","","1.044","","","","has coordinates,has disorder","302518","2025-10-06","07:47:15",""
"1575511","8.785","0.004","13.602","0.005","40.116","0.016","90","","95.571","0.012","90","","4771","3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","PP-197","","- C38 H68 Bi N3 O2 S Si4 -","- C38 H68 Bi N3 O2 S Si4 -","- C152 H272 Bi4 N12 O8 S4 Si16 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","x-ray","0.71073","MoKα","","0.1318","0.0861","","","0.1783","0.205","","","","","","1.034","","","","has coordinates","302518","2025-10-06","07:47:15",""
"1575512","20.7931","0.0004","13.6137","0.0002","27.7062","0.0004","90","","108.868","0.001","90","","7421.4","0.2","123","","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","DM-PP-20","","- C106 H224 Br4 Ge2 N2 O Sb4 Si18 -","- C106 H224 Br4 Ge2 N2 O Sb4 Si18 -","- C212 H448 Br8 Ge4 N4 O2 Sb8 Si36 -","2","0.5","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","","0.71073","MoKα","","0.0694","0.0536","","","0.1297","0.1474","","","","","","1.093","","","","has coordinates,has disorder","302518","2025-10-06","07:47:15",""
"1575513","19.4116","0.0006","12.4085","0.0003","28.9774","0.001","90","","91.222","0.001","90","","6978.2","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MB036","","- C54 H103 N Sb2 Si8 -","- C54 H103 N Sb2 Si8 -","- C216 H412 N4 Sb8 Si32 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","x-ray","0.71073","MoKα","","0.0395","0.0299","","","0.0662","0.0709","","","","","","1.05","","","","has coordinates","302518","2025-10-06","07:47:15",""
"1575514","20.3099","0.001","13.9032","0.0004","28.5661","0.0012","90","","106.583","0.004","90","","7730.8","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","MBO68","","- C62 H112 Bi2 N2 O4 S2 Si8 -","- C62 H112 Bi2 N2 O4 S2 Si8 -","- C248 H448 Bi8 N8 O16 S8 Si32 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","","0.71073","MoKα","","0.1007","0.0611","","","0.1116","0.1319","","","","","","1.081","","","","has coordinates,has disorder","302518","2025-10-06","07:47:15",""
"1575515","17.8015","0.0006","12.3747","0.0004","34.4746","0.0012","90","","100.931","0.001","90","","7456.6","0.4","103","","103","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","MB037","","- C62 H123 N O Sb2 Si8 -","- C62 H123 N O Sb2 Si8 -","- C248 H492 N4 O4 Sb8 Si32 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","x-ray","0.71073","MoKα","","0.0685","0.0642","","","0.1347","0.1364","","","","","","1.316","","","","has coordinates,has disorder","302518","2025-10-06","07:47:15",""
"1575516","39.5906","0.0007","7.1713","0.0001","7.6423","0.0001","90","","90","","90","","2169.77","0.06","113","","113","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H22 N2 S2 -","- C28 H22 N2 S2 -","- C112 H88 N8 S8 -","4","1","","Oketani, Ryusei; Okada, Musashi; Takaji, Kentaro; Shigemitsu, Hajime; Kida, Toshiyuki; Nakashima, Takuya; Hisaki, Ichiro","Spontaneous chiral symmetry breaking in a single crystal.","Chemical science","2025","16","38","17621","17629","10.1039/d5sc02623g","","x-ray","0.71073","MoKα","","0.046","0.0423","","","0.0942","0.0962","","","","","","1.075","","","","has coordinates,has disorder","302557","2025-10-06","08:05:19",""
"1575517","8.5534","0.0003","5.53","0.0002","22.8598","0.0007","90","","94.991","0.003","90","","1077.18","0.06","113","","113","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H22 N2 S2 -","- C28 H22 N2 S2 -","- C56 H44 N4 S4 -","2","1","","Oketani, Ryusei; Okada, Musashi; Takaji, Kentaro; Shigemitsu, Hajime; Kida, Toshiyuki; Nakashima, Takuya; Hisaki, Ichiro","Spontaneous chiral symmetry breaking in a single crystal.","Chemical science","2025","16","38","17621","17629","10.1039/d5sc02623g","","x-ray","0.71073","MoKα","","0.0798","0.0688","","","0.1778","0.1881","","","","","","1.095","","","","has coordinates,has disorder","302557","2025-10-06","08:05:21",""
"1575518","11.1668","0.0005","6.0924","0.0003","11.7374","0.0006","90","","91.622","0.004","90","","798.21","0.07","97","","97","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 O4 -","- C8 H10 O4 -","- C32 H40 O16 -","4","1","","Kohsaka, Yasuhiro; Yoshida, Taichi; Nishiie, Natsumi","Poly(bridged bicycle)s synthesized via cyclopolymerization of cyclic diacrylates","Polymer Chemistry","2025","16","36","4009","4012","10.1039/D5PY00631G","","x-ray","0.71073","MoKα","","0.0329","0.0312","","","0.0763","0.0775","","","","","","1.079","","","","has coordinates","302796","2025-10-06","10:40:15",""
"1575519","14.0831","0.0013","15.5331","0.0014","17.9383","0.0012","90","","90","","90","","3924.1","0.6","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C22 H12 O8 -","- C22 H14 O8 -","- C176 H112 O64 -","8","1","","Kohsaka, Yasuhiro; Yoshida, Taichi; Nishiie, Natsumi","Poly(bridged bicycle)s synthesized via cyclopolymerization of cyclic diacrylates","Polymer Chemistry","2025","16","36","4009","4012","10.1039/D5PY00631G","","x-ray","0.71073","MoKα","","0.2346","0.0819","","","0.2052","0.3056","","","","","","0.927","","","","has coordinates","302796","2025-10-06","10:40:15",""
"1575520","6.3393","0.0011","8.153","0.003","9.439","0.004","78.55","0.03","86.14","0.02","79.3","0.02","469.6","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H13 O4 -","- C9 H12 O4 -","- C18 H24 O8 -","2","1","","Kohsaka, Yasuhiro; Yoshida, Taichi; Nishiie, Natsumi","Poly(bridged bicycle)s synthesized via cyclopolymerization of cyclic diacrylates","Polymer Chemistry","2025","16","36","4009","4012","10.1039/D5PY00631G","","x-ray","0.71073","MoKα","","0.2254","0.0897","","","0.2317","0.2977","","","","","","0.821","","","","has coordinates","302796","2025-10-06","10:40:15",""
"1575521","11.1596","0.0005","11.4928","0.0005","15.7244","0.0007","90.689","0.004","97.872","0.004","90.376","0.004","1997.52","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H130 B2 N16 O2 Ti2 -","- C78 H130 B2 N16 O2 Ti2 -","- C78 H130 B2 N16 O2 Ti2 -","1","0.5","","G Jafari, Mehrafshan; Fehn, Dominik; Sandoval-Pauker, Christian; Gau, Michael R.; Meyer, Karsten; Pinter, Balazs; Mindiola, Daniel J.; Reinholdt, Anders","A titanium redox-switch enables reversible C-C bond forming and splitting reactions.","Chemical science","2025","16","38","17714","17724","10.1039/d5sc04824a","","x-ray","0.71073","MoKα","","0.1392","0.0849","","","0.1883","0.2065","","","","","","1.119","","","","has coordinates,has disorder","302560","2025-10-06","08:05:57",""
"1575522","14.091","0.0002","14.8091","0.0002","16.4769","0.0002","99.925","0.001","92.301","0.001","94.201","0.001","3372.88","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C134 H150 B4 F40 N16 O4 Ti2 -","- C134 H150 B4 F40 N16 O4 Ti2 -","- C134 H150 B4 F40 N16 O4 Ti2 -","1","0.5","","G Jafari, Mehrafshan; Fehn, Dominik; Sandoval-Pauker, Christian; Gau, Michael R.; Meyer, Karsten; Pinter, Balazs; Mindiola, Daniel J.; Reinholdt, Anders","A titanium redox-switch enables reversible C-C bond forming and splitting reactions.","Chemical science","2025","16","38","17714","17724","10.1039/d5sc04824a","","x-ray","1.54184","CuKα","","0.0727","0.0614","","","0.1714","0.1809","","","","","","1.043","","","","has coordinates,has disorder","302560","2025-10-06","08:05:57",""
"1575523","11.9108","0.0002","12.6051","0.0002","24.0379","0.0005","104.569","0.0018","90.2187","0.0018","118.154","0.002","3047.76","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H85 B N10 V -","- C57 H85 B N10 V -","- C114 H170 B2 N20 V2 -","2","1","","G Jafari, Mehrafshan; Fehn, Dominik; Sandoval-Pauker, Christian; Gau, Michael R.; Meyer, Karsten; Pinter, Balazs; Mindiola, Daniel J.; Reinholdt, Anders","A titanium redox-switch enables reversible C-C bond forming and splitting reactions.","Chemical science","2025","16","38","17714","17724","10.1039/d5sc04824a","","x-ray","0.71073","MoKα","","0.0996","0.0895","","","0.237","0.2421","","","","","","1.099","","","","has coordinates,has disorder","302560","2025-10-06","08:05:57",""
"1575524","10.7606","0.0005","24.5346","0.001","22.9833","0.001","90","","92.905","0.002","90","","6060","0.5","297","","297","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C60 H45 N3 O3 S3 -","- C60 H45 N3 O3 S3 -","- C240 H180 N12 O12 S12 -","4","1","","Sun, Yonghui; Shu, Yuqing; Zheng, Li; Song, Yufei; Huang, Baotong; Xu, Xiufang; Chen, Haohua; Chang, Junbiao; Xin, Pengyang","Cyclization-enhanced photoactivatable reversible room-temperature phosphorescence for efficient real-time light printing.","Chemical science","2025","16","38","17812","17819","10.1039/d5sc05008a","","","1.54178","CuKα","","0.1019","0.0922","","","0.3058","0.315","","","","","","1.085","","","","has coordinates,has disorder","302555","2025-10-06","08:04:03",""
"1575525","13.1113","0.0004","18.0607","0.0004","23.3276","0.0006","90","","105.099","0.002","90","","5333.3","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H51 N3 O3 S3 -","- C66 H51 N3 O3 S3 -","- C264 H204 N12 O12 S12 -","4","1","","Sun, Yonghui; Shu, Yuqing; Zheng, Li; Song, Yufei; Huang, Baotong; Xu, Xiufang; Chen, Haohua; Chang, Junbiao; Xin, Pengyang","Cyclization-enhanced photoactivatable reversible room-temperature phosphorescence for efficient real-time light printing.","Chemical science","2025","16","38","17812","17819","10.1039/d5sc05008a","","","1.54178","CuKα","","0.1278","0.0775","","","0.2244","0.2736","","","","","","1.024","","","","has coordinates,has disorder","302555","2025-10-06","08:04:03",""
"1575526","12.6976","0.0003","37.9408","0.0008","13.6528","0.0003","90","","104.772","0.001","90","","6359.9","0.2","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H39 N3 O3 S3 -","- C57 H39 N3 O3 S3 -","- C228 H156 N12 O12 S12 -","4","1","","Sun, Yonghui; Shu, Yuqing; Zheng, Li; Song, Yufei; Huang, Baotong; Xu, Xiufang; Chen, Haohua; Chang, Junbiao; Xin, Pengyang","Cyclization-enhanced photoactivatable reversible room-temperature phosphorescence for efficient real-time light printing.","Chemical science","2025","16","38","17812","17819","10.1039/d5sc05008a","","","1.54178","CuKα","","0.0622","0.054","","","0.1612","0.1667","","","","","","1.064","","","","has coordinates","302555","2025-10-06","08:04:03",""
"1575527","21.186","0.0006","21.4353","0.0006","32.1951","0.0008","91.5233","0.0008","91.3027","0.0008","103.598","0.001","14199.5","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H118 Br2 F4 N6 O2 S4 -","- C98 H118 Br2 F4 N6 O2 S4 -","- C588 H708 Br12 F24 N36 O12 S24 -","6","3","","Wang, Yan-Bo; Xue, Yung-Jing; Hung, Chieh-Ming; Huang, Kuo-Hsiu; Jiang, Bing-Huang; Tsai, Chia-Lin; Huang, Yu-Chi; Chen, Hong-Yi; Yang, Shang-Da; Chien, Su-Ying; Chen, Chih-Ping; Chou, Pi-Tai; Cheng, Yen-Ju","Effect of halogen/chalcogen substitution on the dielectric constant of asymmetric acceptor alloy to improve the efficiency and stability of inverted organic photovoltaics.","Chemical science","2025","16","37","17391","17407","10.1039/d5sc04976h","","","1.54178","CuKα","","0.1738","0.1384","","","0.3734","0.4313","","","","","","1.637","","","","has coordinates","302481","2025-10-06","07:32:00",""
"1575528","24.5571","0.0005","23.4429","0.0005","34.5277","0.0007","90","","107.939","0.001","90","","18910.9","0.7","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H119 Br Cl4 N6 O2 S4 -","- C98 H119 Br Cl4 N6 O2 S4 -","- C784 H952 Br8 Cl32 N48 O16 S32 -","8","1","","Wang, Yan-Bo; Xue, Yung-Jing; Hung, Chieh-Ming; Huang, Kuo-Hsiu; Jiang, Bing-Huang; Tsai, Chia-Lin; Huang, Yu-Chi; Chen, Hong-Yi; Yang, Shang-Da; Chien, Su-Ying; Chen, Chih-Ping; Chou, Pi-Tai; Cheng, Yen-Ju","Effect of halogen/chalcogen substitution on the dielectric constant of asymmetric acceptor alloy to improve the efficiency and stability of inverted organic photovoltaics.","Chemical science","2025","16","37","17391","17407","10.1039/d5sc04976h","","","1.54178","CuKα","","0.1676","0.1473","","","0.4429","0.4789","","","","","","2.153","","","","has coordinates,has disorder","302481","2025-10-06","07:32:04",""
"1575529","21.2852","0.0005","21.6188","0.0006","32.1696","0.0007","92.4978","0.0011","91.3722","0.0011","103.562","0.0013","14367.8","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H119 Br F4 N6 O2 S4 -","- C98 H119 Br F4 N6 O2 S4 -","- C588 H714 Br6 F24 N36 O12 S24 -","6","3","","Wang, Yan-Bo; Xue, Yung-Jing; Hung, Chieh-Ming; Huang, Kuo-Hsiu; Jiang, Bing-Huang; Tsai, Chia-Lin; Huang, Yu-Chi; Chen, Hong-Yi; Yang, Shang-Da; Chien, Su-Ying; Chen, Chih-Ping; Chou, Pi-Tai; Cheng, Yen-Ju","Effect of halogen/chalcogen substitution on the dielectric constant of asymmetric acceptor alloy to improve the efficiency and stability of inverted organic photovoltaics.","Chemical science","2025","16","37","17391","17407","10.1039/d5sc04976h","","","1.54178","CuKα","","0.2729","0.1947","","","0.482","0.5356","","","","","","1.661","","","","has coordinates,has disorder","302481","2025-10-06","07:32:13",""
"1575530","16.6502","0.0007","7.3452","0.0003","21.915","0.0009","90","","97.814","0.001","90","","2655.3","0.19","100.15","","100","2","","","","","","","synthesized by the authors","3","C 1 2 1","C 2y","5","","","","- C19 H12 O2 -","- C19 H12 O2 -","- C152 H96 O16 -","8","2","","Dočekal, Vojtěch; Kurčina, Adam; Císařová, Ivana; Veselý, Jan","Enantioselective lactonization catalyzed by chiral N-heterocyclic carbenes enables access to inherently chiral eight-membered lactones.","Chemical science","2025","16","37","17369","17373","10.1039/d5sc05037e","","x-ray","1.54178","CuKα","","0.03","0.03","","","0.0796","0.0796","","","","","","1.039","","","","has coordinates","302485","2025-10-06","07:35:03",""
"1575531","8.3909","0.0001","13.6555","0.0001","14.4806","0.0001","90","","90","","90","","1659.22","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 F3 O3 -","- C17 H25 F3 O3 -","- C68 H100 F12 O12 -","4","1","","Shakeri, Kamar; Kleoff, Merlin; Golz, Paul; Drews, Thomas; Weber, Manuela; Riedel, Sebastian; Christmann, Mathias","Photomediated C-H trifluoromethoxylations enabled by bis(trifluoromethyl)peroxide.","Chemical science","2025","16","38","17921","17926","10.1039/d5sc04945h","","","1.54178","CuKα","","0.0629","0.0624","","","0.1405","0.141","","","","","","1.203","","","","has coordinates","302562","2025-10-06","08:06:39",""
"1575532","7.978","0.0007","11.5922","0.001","11.8435","0.001","63.467","0.003","78.604","0.003","83.242","0.003","960.1","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cu3 I4 N3 S -","- C12 H10 Cu3 I4 N3 S -","- C24 H20 Cu6 I8 N6 S2 -","2","1","","Chen, Jingwen; Wu, Xueqian; Zhang, Minghui; Teat, Simon J.; Xu, Guozhong; Li, Jingbai; Hei, Xiuze; Li, Jing","Rigid cationic ligands enable high-efficiency NIR-II photoluminescence in copper(i) iodide hybrid semiconductors.","Chemical science","2025","16","37","17417","17425","10.1039/d5sc04588f","","","0.7288","synchrotron","","0.0178","0.0171","","","0.0413","0.0416","","","","","","1.129","","","","has coordinates","302482","2025-10-06","07:32:27",""
"1575533","8.2427","0.0005","10.1306","0.0006","10.3673","0.0006","69.699","0.002","76.73","0.002","67.715","0.002","746.48","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cu2 I4 N6 S2 -","- C24 H20 Cu2 I4 N6 S2 -","- C24 H20 Cu2 I4 N6 S2 -","1","0.5","","Chen, Jingwen; Wu, Xueqian; Zhang, Minghui; Teat, Simon J.; Xu, Guozhong; Li, Jingbai; Hei, Xiuze; Li, Jing","Rigid cationic ligands enable high-efficiency NIR-II photoluminescence in copper(i) iodide hybrid semiconductors.","Chemical science","2025","16","37","17417","17425","10.1039/d5sc04588f","","","0.7288","synchrotron","","0.0214","0.0179","","","0.0416","0.0433","","","","","","1.037","","","","has coordinates","302482","2025-10-06","07:32:28",""
"1575534","9.8084","0.0005","10.2468","0.0005","11.1017","0.0005","81.711","0.002","73.056","0.002","66.501","0.002","978.32","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cu3 I4 N3 Se -","- C12 H10 Cu3 I4 N3 Se -","- C24 H20 Cu6 I8 N6 Se2 -","2","1","","Chen, Jingwen; Wu, Xueqian; Zhang, Minghui; Teat, Simon J.; Xu, Guozhong; Li, Jingbai; Hei, Xiuze; Li, Jing","Rigid cationic ligands enable high-efficiency NIR-II photoluminescence in copper(i) iodide hybrid semiconductors.","Chemical science","2025","16","37","17417","17425","10.1039/d5sc04588f","","","0.7288","synchrotron","","0.0202","0.0182","","","0.0407","0.0415","","","","","","1.111","","","","has coordinates","302482","2025-10-06","07:32:28",""
"1575535","8.3023","0.0006","10.2622","0.0008","10.4313","0.0008","68.77","0.003","75.946","0.003","67.022","0.003","757.35","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cu2 I4 N6 Se2 -","- C24 H20 Cu2 I4 N6 Se2 -","- C24 H20 Cu2 I4 N6 Se2 -","1","0.5","","Chen, Jingwen; Wu, Xueqian; Zhang, Minghui; Teat, Simon J.; Xu, Guozhong; Li, Jingbai; Hei, Xiuze; Li, Jing","Rigid cationic ligands enable high-efficiency NIR-II photoluminescence in copper(i) iodide hybrid semiconductors.","Chemical science","2025","16","37","17417","17425","10.1039/d5sc04588f","","","0.7288","synchrotron","","0.0365","0.0327","","","0.0822","0.0845","","","","","","1.041","","","","has coordinates","302482","2025-10-06","07:32:28",""
"1575536","35.97","0.002","35.97","0.002","28.133","0.003","90","","90","","90","","36400","5","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C216 H264 Cs N40 O36 Pd8 -","- C216 H264 Cs N40 O36 Pd8 -","- C864 H1056 Cs4 N160 O144 Pd32 -","4","0.25","","Ray, Manaswini; Krishnaswamy, Shobhana; Chand, Dillip Kumar","Hosting of [Cs(crown ether)<sub>2</sub>]<sup>+</sup> type host-guest complexes by a nano-sized molecular cuboid.","Chemical science","2025","16","37","17127","17138","10.1039/d5sc03202d","","","0.71073","MoKα","","0.1285","0.1038","","","0.2482","0.268","","","","","","1.107","","","","has coordinates,has disorder","302484","2025-10-06","07:34:44",""
"1575537","30.9423","0.0006","30.9423","0.0006","19.3961","0.0007","90","","90","","90","","18570.3","0.8","149","2","149","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C176 H216 F84 N32 P16 Pd8 -","- C176 H216 F84 N32 P16 Pd8 -","- C352 H432 F168 N64 P32 Pd16 -","2","0.125","","Ray, Manaswini; Krishnaswamy, Shobhana; Chand, Dillip Kumar","Hosting of [Cs(crown ether)<sub>2</sub>]<sup>+</sup> type host-guest complexes by a nano-sized molecular cuboid.","Chemical science","2025","16","37","17127","17138","10.1039/d5sc03202d","","","1.54178","CuKα","","0.1726","0.108","","","0.3261","0.3819","","","","","","1.072","","","","has coordinates","302484","2025-10-06","07:34:45",""
"1575538","20.9332","0.0016","21.1999","0.0016","22.9084","0.0016","70.521","0.002","69.36","0.002","63.971","0.002","8353.4","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C220 H272 Cs1.04 N41 O41 Pd8 -","- C220 H272 Cs1.054 N41 O41 Pd8 -","- C220 H272 Cs1.054 N41 O41 Pd8 -","1","0.5","","Ray, Manaswini; Krishnaswamy, Shobhana; Chand, Dillip Kumar","Hosting of [Cs(crown ether)<sub>2</sub>]<sup>+</sup> type host-guest complexes by a nano-sized molecular cuboid.","Chemical science","2025","16","37","17127","17138","10.1039/d5sc03202d","","","0.71073","MoKα","","0.1256","0.0762","","","0.1918","0.2232","","","","","","1.023","","","","has coordinates,has disorder","302484","2025-10-06","07:34:45",""
"1575539","20.772","0.0018","21.4093","0.0019","22.903","0.002","70.951","0.003","69.338","0.003","64.414","0.002","8410.9","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C224 H280 Cs0.48 N43 O49 Pd8 -","- C224 H280 Cs0.482 N43 O49 Pd8 -","- C224 H280 Cs0.482 N43 O49 Pd8 -","1","0.5","","Ray, Manaswini; Krishnaswamy, Shobhana; Chand, Dillip Kumar","Hosting of [Cs(crown ether)<sub>2</sub>]<sup>+</sup> type host-guest complexes by a nano-sized molecular cuboid.","Chemical science","2025","16","37","17127","17138","10.1039/d5sc03202d","","","0.71073","MoKα","","0.1559","0.0995","","","0.2729","0.3382","","","","","","1.048","","","","has coordinates,has disorder","302484","2025-10-06","07:34:45",""
"1575540","10.0115","0.0005","33.232","0.0016","11.5588","0.0006","90","","97.006","0.003","90","","3816.9","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H108 B2 F10 N6 O2 -","- C82 H108 B2 F10 N6 O2 -","- C164 H216 B4 F20 N12 O4 -","2","0.5","","Jiang, Zhiyong; Ma, Xiangjun; Song, Kaixuan; Wang, Tianzhu; Dong, Mengxi; Liu, Hang; Gao, Hu; Wang, Xiaoqing; Zhao, Jing; Liu, Zhipeng","Shortwave infrared absorbing and fluorescent BODIPY J-aggregates for high-contrast <i>in vivo</i> imaging.","Chemical science","2025","16","38","17779","17792","10.1039/d5sc03864b","","","1.34139","GaKα","","0.1317","0.0657","","","0.1746","0.2149","","","","","","0.986","","","","has coordinates","302554","2025-10-06","08:02:40",""
"1575541","12.479","0.002","33.355","0.006","9.5684","0.0015","90","","108.825","0.008","90","","3769.7","1.1","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 B2 F10 N4 O4 -","- C80 B2 F10 N4 O4 -","- C160 B4 F20 N8 O8 -","2","0.5","","Jiang, Zhiyong; Ma, Xiangjun; Song, Kaixuan; Wang, Tianzhu; Dong, Mengxi; Liu, Hang; Gao, Hu; Wang, Xiaoqing; Zhao, Jing; Liu, Zhipeng","Shortwave infrared absorbing and fluorescent BODIPY J-aggregates for high-contrast <i>in vivo</i> imaging.","Chemical science","2025","16","38","17779","17792","10.1039/d5sc03864b","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","302554","2025-10-06","08:02:41",""
"1575542","8.967","0.003","9.236","0.003","26.041","0.009","89.71","0.016","82.835","0.015","62.505","0.014","1894.8","1.1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H108 B2 F4 N4 O8 -","- C82 H108 B2 F4 N4 O8 -","- C82 H108 B2 F4 N4 O8 -","1","0.5","","Jiang, Zhiyong; Ma, Xiangjun; Song, Kaixuan; Wang, Tianzhu; Dong, Mengxi; Liu, Hang; Gao, Hu; Wang, Xiaoqing; Zhao, Jing; Liu, Zhipeng","Shortwave infrared absorbing and fluorescent BODIPY J-aggregates for high-contrast <i>in vivo</i> imaging.","Chemical science","2025","16","38","17779","17792","10.1039/d5sc03864b","","","1.34139","GaKα","","0.124","0.0919","","","0.2445","0.2712","","","","","","1.397","","","","has coordinates","302554","2025-10-06","08:02:41",""
"1575543","13.0684","0.0006","33.8533","0.0015","17.8305","0.0008","90","","90.248","0.002","90","","7888.3","0.6","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H114 B2 F4 N6 O6 -","- C84 H113.999 B2 F4.0001 N6 O6 -","- C336 H455.995 B8 F16.0004 N24 O24 -","4","1","","Jiang, Zhiyong; Ma, Xiangjun; Song, Kaixuan; Wang, Tianzhu; Dong, Mengxi; Liu, Hang; Gao, Hu; Wang, Xiaoqing; Zhao, Jing; Liu, Zhipeng","Shortwave infrared absorbing and fluorescent BODIPY J-aggregates for high-contrast <i>in vivo</i> imaging.","Chemical science","2025","16","38","17779","17792","10.1039/d5sc03864b","","","1.34139","GaKα","","0.1322","0.0617","","","0.1332","0.1592","","","","","","1.122","","","","has coordinates,has disorder","302554","2025-10-06","08:02:41",""
"1575544","9.9417","0.0002","10.7906","0.0002","15.9286","0.0003","98.869","0.002","98.98","0.002","111.275","0.002","1530.99","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Cu2 N2 O14 -","- C27 H19 Cu2 N2 O14 -","- C54 H38 Cu4 N4 O28 -","2","1","","Wang, AnQi; Zheng, Xin; Saito, Yuki; Tateishi, Arata; Huang, Yuan; Kamiya, Yuichi; Sato, Hiroyasu; Kondo, Atsushi; Takahashi, Kiyonori; Nakamura, Takayoshi; Noro, Shin-Ichiro","Coexisting gases regulate the rates of water adsorption by a flexible one-dimensional coordination polymer.","Chemical science","2025","16","39","18135","18140","10.1039/d5sc01699a","","x-ray","1.54184","CuKα","","0.0446","0.0435","","","0.1305","0.1315","","","","","","1.102","","","","has coordinates","303642","2025-11-29","18:31:12",""
"1575545","9.462","0.003","9.915","0.003","15.687","0.003","94.47","0.02","94.64","0.02","111.54","0.03","1355.2","0.7","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cu2 N2 O11 -","- C27 H22 Cu2 N2 O11 -","- C54 H44 Cu4 N4 O22 -","2","1","","Wang, AnQi; Zheng, Xin; Saito, Yuki; Tateishi, Arata; Huang, Yuan; Kamiya, Yuichi; Sato, Hiroyasu; Kondo, Atsushi; Takahashi, Kiyonori; Nakamura, Takayoshi; Noro, Shin-Ichiro","Coexisting gases regulate the rates of water adsorption by a flexible one-dimensional coordination polymer.","Chemical science","2025","16","39","18135","18140","10.1039/d5sc01699a","","electron","0.0251","electron","","0.2993","0.2093","","","0.4185","0.4895","","","","","","1.108","","","","has coordinates","303642","2025-11-29","18:31:14",""
"1575546","13.3346","0.0002","17.6109","0.0002","25.4209","0.0003","102.048","0.001","97.672","0.001","104.674","0.001","5537.1","0.13","173","0.1","173","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C36 H36 Fe3 -","- C36 H36 Fe3 -","- C288 H288 Fe24 -","8","4","","Li, Longfei; Zhang, Beijing; Xie, Yi; Xiong, Qi; Zhong, Yuanbo; Jiang, Yansong; Wang, Yu; Wang, Haobing; Jiang, Shang-Da; Zhou, Shen; Jiang, Xing","An acetylene-bridged ferrocene macrocycle: efficient synthesis and electron transfer mechanism in mixed-valence systems.","Chemical science","2025","16","37","17268","17275","10.1039/d5sc02322j","","x-ray","0.71073","MoKα","","0.0579","0.0435","","","0.0932","0.0974","","","","","","1.146","","","","has coordinates","302480","2025-10-06","07:31:30",""
"1575547","11.8646","0.0016","11.9852","0.0017","13.0247","0.0018","78.104","0.013","64.935","0.015","60.235","0.014","1456.3","0.4","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H32 Cl2 Fe3 -","- C37 H32 Cl2 Fe3 -","- C74 H64 Cl4 Fe6 -","2","1","","Li, Longfei; Zhang, Beijing; Xie, Yi; Xiong, Qi; Zhong, Yuanbo; Jiang, Yansong; Wang, Yu; Wang, Haobing; Jiang, Shang-Da; Zhou, Shen; Jiang, Xing","An acetylene-bridged ferrocene macrocycle: efficient synthesis and electron transfer mechanism in mixed-valence systems.","Chemical science","2025","16","37","17268","17275","10.1039/d5sc02322j","","x-ray","0.71073","MoKα","","0.073","0.0639","","","0.1714","0.179","","","","","","0.997","","","","has coordinates","302480","2025-10-06","07:31:31",""
"1575548","10.3956","0.0002","10.3956","0.0002","20.2799","0.0006","90","","90","","120","","1898","0.08","149.99","0.1","149.99","0.1","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C36 H24 Fe3 -","- C36.0144 H24.0096 Fe3.0012 -","- C108.043 H72.0288 Fe9.0036 -","3","0.5","","Li, Longfei; Zhang, Beijing; Xie, Yi; Xiong, Qi; Zhong, Yuanbo; Jiang, Yansong; Wang, Yu; Wang, Haobing; Jiang, Shang-Da; Zhou, Shen; Jiang, Xing","An acetylene-bridged ferrocene macrocycle: efficient synthesis and electron transfer mechanism in mixed-valence systems.","Chemical science","2025","16","37","17268","17275","10.1039/d5sc02322j","","x-ray","0.71073","MoKα","","0.0236","0.022","","","0.0514","0.052","","","","","","1.026","","","","has coordinates,has disorder","302480","2025-10-06","07:31:31",""
"1575549","8.6948","0.0008","9.5786","0.0007","13.7241","0.0013","78.616","0.007","87.932","0.008","69.39","0.008","1048.1","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 N3 O -","- C28 H19 N3 O -","- C56 H38 N6 O2 -","2","1","","Fan, Liangxin; Zhu, Xinxin; Wu, Wanjin; Wang, Xingxiao; Zhang, Sheng; Wan, Jingwei; Jiang, Song; Lin, Lu; Gao, Haoyu; Wang, Jinjin; Cao, Zhanqi; Pan, Zhenliang; Xu, Zhihong; Liu, Lijie","Overcoming ACQ: DPA-modified TICT-type AIEgens for high-resolution and multilevel latent fingerprint visualization.","Materials horizons","2025","12","23","10326","10334","10.1039/d5mh01320h","","x-ray","1.54184","CuKα","","0.0575","0.0453","","","0.1284","0.1422","","","","","","1.043","","","","has coordinates","303973","2025-11-29","22:22:37",""
"1575550","4.1747","0.0006","22.829","0.0017","12.14","0.0012","90","","90","","90","","1157","0.2","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C16 H10 N2 O -","- C16 H10 N2 O -","- C64 H40 N8 O4 -","4","1","","Fan, Liangxin; Zhu, Xinxin; Wu, Wanjin; Wang, Xingxiao; Zhang, Sheng; Wan, Jingwei; Jiang, Song; Lin, Lu; Gao, Haoyu; Wang, Jinjin; Cao, Zhanqi; Pan, Zhenliang; Xu, Zhihong; Liu, Lijie","Overcoming ACQ: DPA-modified TICT-type AIEgens for high-resolution and multilevel latent fingerprint visualization.","Materials horizons","2025","12","23","10326","10334","10.1039/d5mh01320h","","x-ray","1.54184","CuKα","","0.0473","0.0413","","","0.1102","0.1176","","","","","","1.035","","","","has coordinates","303973","2025-11-29","22:22:39",""
"1575551","9.8422","0.0003","11.3666","0.0003","36.9529","0.001","90","","93.641","0.002","90","","4125.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H0 N29 O31 -","- C56 H38 N6 O2 -","- C224 H152 N24 O8 -","4","1","","Fan, Liangxin; Zhu, Xinxin; Wu, Wanjin; Wang, Xingxiao; Zhang, Sheng; Wan, Jingwei; Jiang, Song; Lin, Lu; Gao, Haoyu; Wang, Jinjin; Cao, Zhanqi; Pan, Zhenliang; Xu, Zhihong; Liu, Lijie","Overcoming ACQ: DPA-modified TICT-type AIEgens for high-resolution and multilevel latent fingerprint visualization.","Materials horizons","2025","12","23","10326","10334","10.1039/d5mh01320h","","x-ray","1.54184","CuKα","","0.1797","0.1615","","","0.4938","0.5061","","","","","","1.932","","","","has coordinates","303973","2025-11-29","22:22:39",""
"1575552","10.3732","0.0005","12.2046","0.0006","18.1561","0.0007","91.465","0.004","106.113","0.004","107.935","0.004","2085.41","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H64 Al B N4 -","- C42 H64 Al B N4 -","- C84 H128 Al2 B2 N8 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Synthesis, properties, and chemoselective reactions of an AlH-BH functional group.","Chemical science","2025","16","37","17193","17199","10.1039/d5sc05133a","","","1.54184","CuKα","","0.0623","0.0446","","","0.1119","0.1282","","","","","","1.024","","","","has coordinates","302487","2025-10-06","07:35:28",""
"1575553","10.6201","0.0008","12.1477","0.0011","18.1465","0.0011","91.246","0.006","104.782","0.006","107.331","0.007","2148.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H64 Al B N4 O2 -","- C43 H64 Al B N4 O2 -","- C86 H128 Al2 B2 N8 O4 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Synthesis, properties, and chemoselective reactions of an AlH-BH functional group.","Chemical science","2025","16","37","17193","17199","10.1039/d5sc05133a","","","1.54184","CuKα","","0.1","0.054","","","0.1165","0.1398","","","","","","0.997","","","","has coordinates,has disorder","302487","2025-10-06","07:35:28",""
"1575554","13.63125","0.00014","20.16105","0.00019","15.3157","0.00014","90","","99.9088","0.0009","90","","4146.28","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H64 Al2 N4 -","- C42 H64 Al2 N4 -","- C168 H256 Al8 N16 -","4","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Synthesis, properties, and chemoselective reactions of an AlH-BH functional group.","Chemical science","2025","16","37","17193","17199","10.1039/d5sc05133a","","","1.54184","CuKα","","0.0555","0.0408","","","0.1039","0.115","","","","","","1.034","","","","has coordinates,has disorder","302487","2025-10-06","07:35:28",""
"1575555","11.1773","0.0008","13.0784","0.0008","18.2008","0.0012","75.079","0.006","72.532","0.006","74.007","0.006","2395","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H73 Al B N5 -","- C51 H73 Al B N5 -","- C102 H146 Al2 B2 N10 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Synthesis, properties, and chemoselective reactions of an AlH-BH functional group.","Chemical science","2025","16","37","17193","17199","10.1039/d5sc05133a","","","1.54184","CuKα","","0.0819","0.0497","","","0.119","0.1365","","","","","","0.997","","","","has coordinates","302487","2025-10-06","07:35:28",""
"1575556","11.7887","0.0005","12.6943","0.0006","19.3282","0.0011","94.912","0.004","91.626","0.004","103.385","0.004","2800.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H81.5 Al B N6 O0.75 -","- C56 H74 Al B N6 -","- C112 H148 Al2 B2 N12 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Synthesis, properties, and chemoselective reactions of an AlH-BH functional group.","Chemical science","2025","16","37","17193","17199","10.1039/d5sc05133a","","","1.54184","CuKα","","0.1117","0.0688","","","0.1802","0.2152","","","","","","1.028","","","","has coordinates,has disorder","302487","2025-10-06","07:35:28",""
"1575557","19.6637","0.0007","25.8655","0.0009","7.351","0.0003","90","","90","","90","","3738.8","0.2","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C25 H18 F N O2 -","- C25 H18 F N O2 -","- C200 H144 F8 N8 O16 -","8","1","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0322","0.0304","","","0.0704","0.0718","","","","","","1.03","","","","has coordinates","302561","2025-10-06","08:06:27",""
"1575558","28.0843","0.0013","28.0843","0.0013","11.375","0.0007","90","","90","","90","","8971.8","0.8","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C31 H20 F N O2 -","- C31 H20 F N O2 -","- C496 H320 F16 N16 O32 -","16","2","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0778","0.0524","","","0.1061","0.1168","","","","","","1.027","","","","has coordinates,has disorder","302561","2025-10-06","08:06:28",""
"1575559","22.1848","0.0006","22.1848","0.0006","11.2994","0.0005","90","","90","","90","","5561.2","0.3","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C33.93 H27.86 F N O3.46 -","- C33.928 H27.856 F N O3.464 -","- C271.424 H222.848 F8 N8 O27.712 -","8","1","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0407","0.0383","","","0.1052","0.1079","","","","","","1.061","","","","has coordinates,has disorder","302561","2025-10-06","08:06:28",""
"1575560","9.3457","0.0003","13.8896","0.0005","14.0274","0.0005","90","","90","","90","","1820.87","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 F N O2 -","- C25 H18 F N O2 -","- C100 H72 F4 N4 O8 -","4","1","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0458","0.0447","","","0.1215","0.1223","","","","","","1.228","","","","has coordinates","302561","2025-10-06","08:06:28",""
"1575561","8.4255","0.0005","9.5914","0.0006","13.0539","0.0009","93.704","0.002","99.237","0.002","102.183","0.002","1012.47","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 F N O2 -","- C29 H20 F N O2 -","- C58 H40 F2 N2 O4 -","2","1","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0444","0.0413","","","0.108","0.1104","","","","","","1.124","","","","has coordinates","302561","2025-10-06","08:06:28",""
"1575562","12.7667","0.0009","11.3301","0.0008","14.2629","0.001","90","","97.786","0.002","90","","2044.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H20 F N O2 -","- C29 H20 F N O2 -","- C116 H80 F4 N4 O8 -","4","1","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0528","0.0458","","","0.1345","0.1407","","","","","","1.125","","","","has coordinates","302561","2025-10-06","08:06:28",""
"1575563","7.7533","0.0003","15.5357","0.0006","34.8973","0.0015","90","","90","","90","","4203.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H20 F N O2 -","- C31 H20 F N O2 -","- C248 H160 F8 N8 O16 -","8","1","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0496","0.0457","","","0.1324","0.136","","","","","","1.116","","","","has coordinates","302561","2025-10-06","08:06:28",""
"1575564","10.7613","0.0007","12.7245","0.0008","13.5391","0.001","102.965","0.006","93.193","0.005","103.386","0.005","1746.2","0.2","85","","85","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H33 F3 Fe N7 O4 S -","- C37 H33 F3 Fe N7 O4 S -","- C74 H66 F6 Fe2 N14 O8 S2 -","2","1","","LaDuca, Andrew R.; Gonder, Jared E.; Sarkar, Writhabrata; Gilbertson, John D.; Szymczak, Nathaniel K.","Rapid nitrite reduction enabled by secondary sphere hydrogen bonds within non-heme iron complexes.","Chemical science","2025","16","39","18364","18371","10.1039/d5sc04153h","","x-ray","1.54184","CuKα","","0.0972","0.0863","","","0.2338","0.2468","","","","","","1.039","","","","has coordinates","303639","2025-11-29","18:30:26",""
"1575565","11.61513","0.00015","18.7796","0.0002","13.19575","0.00019","90","","111.126","0.0015","90","","2684.91","0.07","85","","85","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F6 Fe N5 O5 S2 -","- C23 H24 F6 Fe N5 O5 S2 -","- C92 H96 F24 Fe4 N20 O20 S8 -","4","1","","LaDuca, Andrew R.; Gonder, Jared E.; Sarkar, Writhabrata; Gilbertson, John D.; Szymczak, Nathaniel K.","Rapid nitrite reduction enabled by secondary sphere hydrogen bonds within non-heme iron complexes.","Chemical science","2025","16","39","18364","18371","10.1039/d5sc04153h","","","1.54184","CuKα","","0.038","0.0356","","","0.0904","0.0957","","","","","","1.069","","","","has coordinates","303639","2025-11-29","18:30:27",""
"1575566","5.1445","0.0001","17.9411","0.0005","32.6591","0.0007","90","","91.848","0.002","90","","3012.8","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 N2 O2 -","- C43 H28 N2 O2 -","- C172 H112 N8 O8 -","4","1","","Liu, Xiao; Wen, Xue-Liang; Zhou, Yang; Tang, Chao; Tang, Diandong; Wang, Qian; Shi, Yibo; Liu, Lin; Sun, Wei; Feng, Kai; Fang, Wei-Hai; Qiao, Juan; Shen, Lin; Chen, Xuebo","Molecular design of sensitizers for high-efficiency OLEDs: exploration of energy transfer dynamics.","Chemical science","2025","16","37","17304","17315","10.1039/d5sc03817k","","x-ray","1.54184","CuKα","","0.1007","0.0677","","","0.1634","0.1737","","","","","","1.027","","","","has coordinates","302488","2025-10-06","07:35:41",""
"1575567","9.0251","0.0006","9.0365","0.0005","10.1245","0.0006","89.256","0.004","74.606","0.005","71.184","0.005","751.15","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C43 H28 N2 O2 -","- C43 H28 N2 O2 -","- C43 H28 N2 O2 -","1","1","","Liu, Xiao; Wen, Xue-Liang; Zhou, Yang; Tang, Chao; Tang, Diandong; Wang, Qian; Shi, Yibo; Liu, Lin; Sun, Wei; Feng, Kai; Fang, Wei-Hai; Qiao, Juan; Shen, Lin; Chen, Xuebo","Molecular design of sensitizers for high-efficiency OLEDs: exploration of energy transfer dynamics.","Chemical science","2025","16","37","17304","17315","10.1039/d5sc03817k","","x-ray","1.54184","CuKα","","0.0347","0.0332","","","0.0794","0.0803","","","","","","1.047","","","","has coordinates","302488","2025-10-06","07:35:42",""
"1575568","8.8906","0.0002","9.0722","0.0002","10.1623","0.0002","88.798","0.002","76.812","0.002","74.108","0.002","766.79","0.03","100","0.4","100","0.4","","","","","","","","5","P 1","P 1","1","","","","- C43 H28 N2 O S -","- C43 H28 N2 O S -","- C43 H28 N2 O S -","1","1","","Liu, Xiao; Wen, Xue-Liang; Zhou, Yang; Tang, Chao; Tang, Diandong; Wang, Qian; Shi, Yibo; Liu, Lin; Sun, Wei; Feng, Kai; Fang, Wei-Hai; Qiao, Juan; Shen, Lin; Chen, Xuebo","Molecular design of sensitizers for high-efficiency OLEDs: exploration of energy transfer dynamics.","Chemical science","2025","16","37","17304","17315","10.1039/d5sc03817k","","x-ray","1.54184","CuKα","","0.0348","0.0341","","","0.086","0.0866","","","","","","1.044","","","","has coordinates","302488","2025-10-06","07:35:42",""
"1575569","18.0046","0.0003","19.7746","0.0004","27.2387","0.0005","70.6596","0.0017","73.3726","0.0016","85.7978","0.0015","8765.5","0.3","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C172 H276 K4 N8 -","- C172 H276 K4 N8 -","- C344 H552 K8 N16 -","2","1","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","1.54184","CuKα","","0.0689","0.0584","","","0.1564","0.1689","","","","","","1.042","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575570","19.899","0.0002","19.899","0.0002","42.0248","0.001","90","","90","","90","","16640.6","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C86 H138 I2 N4 Sr2 -","- C86 H138 I2 N4 Sr2 -","- C688 H1104 I16 N32 Sr16 -","8","0.25","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","1.54184","CuKα","","0.0373","0.0299","","","0.0736","0.0782","","","","","","1.054","","","","has coordinates","302556","2025-10-06","08:04:57",""
"1575571","12.436","0.0014","22.839","0.002","30.727","0.003","90","","97.93","0.01","90","","8643.8","1.5","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C189 H300 Ca4 N8 -","- C189 H300 Ca4 N8 -","- C378 H600 Ca8 N16 -","2","0.5","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","1.54184","CuKα","","0.0394","0.033","","","0.0796","0.0833","","","","","","1.017","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575572","9.64881","0.00013","26.2579","0.0003","27.1109","0.0003","78.9461","0.001","85.4731","0.001","79.5197","0.0011","6621.94","0.14","99.97","0.13","99.97","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C104 H134 Ba2 N4 -","- C104 H134 Ba2 N4 -","- C312 H402 Ba6 N12 -","3","1.5","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","0.71073","MoKα","","0.0477","0.0358","","","0.0721","0.077","","","","","","1.085","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575573","21.0407","0.0003","20.0279","0.0002","20.3948","0.0002","90","","90","","90","","8594.39","0.17","99.9","0.4","99.9","0.4","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C92 H144 Ca2 I2 N4 -","- C92 H144 Ca2 I2 N4 -","- C368 H576 Ca8 I8 N16 -","4","0.5","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","1.54184","CuKα","","0.0302","0.028","","","0.0702","0.0717","","","","","","1.111","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575574","17.1405","0.0003","16.1273","0.0003","37.6114","0.0009","90","","90","","90","","10396.9","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52 H89 Ca I N2 O -","- C52 H89 Ca I N2 O -","- C416 H712 Ca8 I8 N16 O8 -","8","1","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","0.71073","MoKα","","0.0644","0.0475","","","0.1129","0.1263","","","","","","1.062","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575575","19.9739","0.0001","19.9739","0.0001","24.5351","0.0004","90","","90","","90","","9788.44","0.17","99.99","0.13","99.99","0.13","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C86 H138 Ba2 I2 N4 -","- C86 H138 Ba2 I2 N4 -","- C344 H552 Ba8 I8 N16 -","4","0.25","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","0.71073","MoKα","","0.0239","0.0199","","","0.0425","0.0441","","","","","","1.042","","","","has coordinates","302556","2025-10-06","08:04:57",""
"1575576","12.21855","0.00008","22.92842","0.00017","31.5562","0.0003","90","","97.7853","0.0007","90","","8759.05","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C189 H300 N8 Sr4 -","- C189 H300 N8 Sr4 -","- C378 H600 N16 Sr8 -","2","0.5","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","","1.54184","CuKα","","0.0374","0.0325","","","0.0811","0.0846","","","","","","1.018","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575577","15.84065","0.00018","23.0138","0.0003","30.6235","0.0003","108.831","0.001","94.108","0.0009","109.852","0.0011","9730.3","0.2","99.97","0.11","99.97","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C92 H144 Ba2 N4 -","- C92 H144 Ba2 N4 -","- C368 H576 Ba8 N16 -","4","2","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","","1.54184","CuKα","","0.0419","0.0372","","","0.0908","0.094","","","","","","1.006","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575578","16.7989","0.0012","23.745","0.003","35.279","0.012","90","","94.926","0.018","90","","14020","5","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C162 H258 Ag48 As2 N12 O90 W18 -","- C162 H258 Ag48 As2 N12 O90 W18 -","- C324 H516 Ag96 As4 N24 O180 W36 -","2","0.5","","Liu, Qingqing; Feng, Yeqin; Liu, Tianfu; Zhao, Mengyun; Li, Yurui; Lv, Hongjin; Yang, Guo-Yu","Controllable syntheses of two structurally new {AsW<sub>9</sub>O<sub>33</sub>}-mediated silver alkynyl clusters.","Nanoscale","2025","17","37","21475","21480","10.1039/d5nr03313f","","x-ray","0.71073","MoKα","","0.1087","0.0651","","","0.1696","0.1995","","","","","","1.042","","","","has coordinates,has disorder","302705","2025-10-06","10:02:31",""
"1575579","20.0339","0.0004","21.6526","0.0004","22.7879","0.0004","86.406","0.002","78.202","0.002","65.476","0.002","8800.6","0.3","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C192 H288 Ag56 As2 Cl2 N4 O78 W18 -","- C192 H288 Ag56 As2 Cl2 N4 O78 W18 -","- C192 H288 Ag56 As2 Cl2 N4 O78 W18 -","1","0.5","","Liu, Qingqing; Feng, Yeqin; Liu, Tianfu; Zhao, Mengyun; Li, Yurui; Lv, Hongjin; Yang, Guo-Yu","Controllable syntheses of two structurally new {AsW<sub>9</sub>O<sub>33</sub>}-mediated silver alkynyl clusters.","Nanoscale","2025","17","37","21475","21480","10.1039/d5nr03313f","","x-ray","0.71073","MoKα","","0.1352","0.0816","","","0.2158","0.264","","","","","","1.036","","","","has coordinates","302705","2025-10-06","10:02:33",""
"1575580","9.2833","0.0002","12.8771","0.0004","20.7969","0.0007","76.085","0.003","77.777","0.002","83.38","0.002","2353.01","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C53 H39 N2 O4 S -","- C53 H39 N2 O4 S -","- C106 H78 N4 O8 S2 -","2","1","","Zhao, Yu; Zhang, Rui-Rui; Wang, Nan; Tian, Xiao-Li; Zhang, Li-Na; Xia, Wen-Li; Wang, Zhouyu; Yu, Xiao-Qi; Li, Kun","π-Bridge Engineering Strategy: Tailoring S-Xanthene Dyes with Strong Absorption for High-Efficiency Photothermal Therapy","Materials Horizons","2025","","","","","10.1039/D5MH01254F","","x-ray","1.54184","CuKα","","0.0687","0.0573","","","0.1577","0.1648","","","","","","1.043","","","","has coordinates","301947","2025-08-30","02:38:17",""
"1575581","7.3793","0.0002","25.8344","0.0005","13.6816","0.0003","90","","95.547","0.002","90","","2596.04","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C106 H78 Cl3 N4 O4 S6 -","- C106 H78 Cl3 N4 O4 S6 -","- C106 H78 Cl3 N4 O4 S6 -","1","0.5","","Zhao, Yu; Zhang, Rui-Rui; Wang, Nan; Tian, Xiao-Li; Zhang, Li-Na; Xia, Wen-Li; Wang, Zhouyu; Yu, Xiao-Qi; Li, Kun","π-Bridge Engineering Strategy: Tailoring S-Xanthene Dyes with Strong Absorption for High-Efficiency Photothermal Therapy","Materials Horizons","2025","","","","","10.1039/D5MH01254F","","x-ray","1.54184","CuKα","","0.1016","0.0991","","","0.2749","0.2794","","","","","","1.297","","","","has coordinates","301947","2025-08-30","02:38:19",""
"1575582","13.0788","0.0002","16.7275","0.0002","23.7123","0.0003","102.031","0.001","92.156","0.001","108.326","0.001","4786.58","0.12","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C57 H43 N2 O2 S -","- C57 H43 N2 O2 S -","- C228 H172 N8 O8 S4 -","4","2","","Zhao, Yu; Zhang, Rui-Rui; Wang, Nan; Tian, Xiao-Li; Zhang, Li-Na; Xia, Wen-Li; Wang, Zhouyu; Yu, Xiao-Qi; Li, Kun","π-Bridge Engineering Strategy: Tailoring S-Xanthene Dyes with Strong Absorption for High-Efficiency Photothermal Therapy","Materials Horizons","2025","","","","","10.1039/D5MH01254F","","x-ray","1.3405","micro-focusmetaljet","","0.0858","0.0752","","","0.1746","0.1797","","","","","","1.044","","","","has coordinates","301947","2025-08-30","02:38:20",""
"1575583","33.532","0.004","9.7242","0.0012","23.877","0.002","90","","91.794","0.004","90","","7781.8","1.5","300","","300","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 O -","- C27 H20 O -","- C432 H320 O16 -","16","2","","Fan, Lin; Wang, Pengyang; He, Chang; Chen, Xiaoyu; Dai, Linlong; Xiong, Daokai; Zhong, Guofu","Regiodivergent Lewis acid catalysis of bicyclo[1.1.0]butanes with 2-naphthols.","Chemical science","2025","16","39","18255","18262","10.1039/d5sc05468k","","x-ray","0.71073","MoKα","","0.0681","0.044","","","0.0954","0.1165","","","","","","1.08","","","","has coordinates","303643","2025-11-29","18:31:26",""
"1575584","9.7775","0.0002","9.8032","0.0002","10.7751","0.0002","103.825","0.001","106.259","0.001","106.755","0.001","890.15","0.03","193","","193","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 O3 -","- C24 H18 O3 -","- C48 H36 O6 -","2","1","","Fan, Lin; Wang, Pengyang; He, Chang; Chen, Xiaoyu; Dai, Linlong; Xiong, Daokai; Zhong, Guofu","Regiodivergent Lewis acid catalysis of bicyclo[1.1.0]butanes with 2-naphthols.","Chemical science","2025","16","39","18255","18262","10.1039/d5sc05468k","","","1.54178","CuKα","","0.0419","0.038","","","0.1001","0.1042","","","","","","1.042","","","","has coordinates","303643","2025-11-29","18:31:27",""
"1575585","6.5568","0.001","22.582","0.004","13.2604","0.0019","90","","93.006","0.006","90","","1960.7","0.5","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 O2 -","- C27 H22 O2 -","- C108 H88 O8 -","4","1","","Fan, Lin; Wang, Pengyang; He, Chang; Chen, Xiaoyu; Dai, Linlong; Xiong, Daokai; Zhong, Guofu","Regiodivergent Lewis acid catalysis of bicyclo[1.1.0]butanes with 2-naphthols.","Chemical science","2025","16","39","18255","18262","10.1039/d5sc05468k","","x-ray","0.71073","MoKα","","0.0626","0.045","","","0.1089","0.1227","","","","","","1.048","","","","has coordinates","303643","2025-11-29","18:31:27",""
"1575586","7.3193","0.0002","9.6788","0.0002","11","0.0002","83.7118","0.0018","71.617","0.002","75.087","0.002","714.25","0.03","297.75","0.1","297.75","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C11 H9 Cu F4 N O6 -","- C11 H9 Cu F4 N O6 -","- C22 H18 Cu2 F8 N2 O12 -","2","1","","Wei, Suosu; Zhang, Shengfeng; Xu, Zhong; Liao, Chen; Wei, Yongbiao; Deng, Chunxia; Song, Jian; Huang, Jin","Synthesis of Single-Atom Catalysts with Reactive Oxygen Species-Scavenging Activity by the Dynamic Crystal Structure Transition of Coordination Polymers","Materials Horizons","2025","","","","","10.1039/D5MH01016K","","x-ray","1.54184","CuKα","","0.0323","0.0311","","","0.0914","0.0926","","","","","","1.073","","","","has coordinates,has disorder","301968","2025-09-02","02:12:30",""
"1575587","10.9771","0.0006","15.6277","0.0009","11.2385","0.0005","90","","95.177","0.005","90","","1920.06","0.18","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C11.41 H10.79 Cu F4 N1.5 O4.41 -","- C11.417 H10.854 Cu F4 N1.499 O4.419 -","- C45.668 H43.416 Cu4 F16 N5.996 O17.676 -","4","0.5","","Wei, Suosu; Zhang, Shengfeng; Xu, Zhong; Liao, Chen; Wei, Yongbiao; Deng, Chunxia; Song, Jian; Huang, Jin","Synthesis of Single-Atom Catalysts with Reactive Oxygen Species-Scavenging Activity by the Dynamic Crystal Structure Transition of Coordination Polymers","Materials Horizons","2025","","","","","10.1039/D5MH01016K","","x-ray","0.71073","MoKα","","0.0748","0.0613","","","0.1865","0.1952","","","","","","1.112","","","","has coordinates,has disorder","301968","2025-09-02","02:12:34",""
"1575588","28.49936","0.00019","9.31608","0.00007","15.74192","0.00012","90","","95.0936","0.0007","90","","4163.01","0.05","298","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.79 H2.97 B0.07 N0.14 O0.07 -","- C3.7931 H2.96552 B0.0689655 N0.137931 O0.0689655 -","- C220 H172 B4 N8 O4 -","58","14.5","","Li, Deli; Liu, Denghui; Li, Mengke; Liu, Qingchao; Liu, Wei; Li, Wei; Su, Shi-Jian; Jiang, Xuchuan","Peripherally fused spiro structures enable the development of narrowband TADF emitters for highly efficient blue OLEDs.","Chemical science","2025","16","39","18332","18340","10.1039/d5sc05501f","","x-ray","1.54184","CuKα","","0.0643","0.0584","","","0.1575","0.1656","","","","","","1.026","","","","has coordinates","303640","2025-11-29","18:30:38",""
"1575589","14.0391","0.0002","14.1908","0.0002","16.3182","0.0004","75.8345","0.0018","72.468","0.002","71.7946","0.0015","2903.83","0.1","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H30 Al Cl4 Li N2 O7 -","- C25 H30 Al Cl4 Li N2 O7 -","- C100 H120 Al4 Cl16 Li4 N8 O28 -","4","2","","Piyawongsiri, Thitirat; Gaston, Anand J.; Abdul Rahman, Maisarah; Hughes, Jack W. J.; Rudman, George E.; Lowy, Phoebe A.; Nichol, Gary S.; Morrison, Carole A.; Phomphrai, Khamphee; Garden, Jennifer A.","Heterometallic Li/Zn, Li/Al and Li/In catalysts for <i>rac</i>-lactide ring-opening polymerisation: ""ate"" or ""non-ate"" pathways?","Catalysis science & technology","2025","15","20","6113","6121","10.1039/d5cy00872g","","x-ray","1.54184","CuKα","","0.0449","0.039","","","0.1014","0.1046","","","","","","1.054","","","","has coordinates,has disorder","303505","2025-11-29","17:12:19",""
"1575590","15.915","0.0003","24.9116","0.0004","16.1264","0.0003","90","","99.907","0.002","90","","6298.3","0.2","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50.44 H56.88 Cl10.88 Li2 N4 O12 Zn2 -","- C50.44 H56.88 Cl10.88 Li2 N4 O12 Zn2 -","- C201.76 H227.52 Cl43.52 Li8 N16 O48 Zn8 -","4","1","","Piyawongsiri, Thitirat; Gaston, Anand J.; Abdul Rahman, Maisarah; Hughes, Jack W. J.; Rudman, George E.; Lowy, Phoebe A.; Nichol, Gary S.; Morrison, Carole A.; Phomphrai, Khamphee; Garden, Jennifer A.","Heterometallic Li/Zn, Li/Al and Li/In catalysts for <i>rac</i>-lactide ring-opening polymerisation: ""ate"" or ""non-ate"" pathways?","Catalysis science & technology","2025","15","20","6113","6121","10.1039/d5cy00872g","","x-ray","0.71073","MoKα","","0.0722","0.0564","","","0.1428","0.15","","","","","","1.021","","","","has coordinates,has disorder","303505","2025-11-29","17:12:20",""
"1575591","22.8774","0.0004","19.3305","0.0002","26.1585","0.0004","90","","115.824","0.002","90","","10412.9","0.3","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H106 Cl10 Li8 N8 O24 -","- C97.001 H106.002 Cl10.002 Li8 N8 O24 -","- C388.004 H424.008 Cl40.008 Li32 N32 O96 -","4","1","","Piyawongsiri, Thitirat; Gaston, Anand J.; Abdul Rahman, Maisarah; Hughes, Jack W. J.; Rudman, George E.; Lowy, Phoebe A.; Nichol, Gary S.; Morrison, Carole A.; Phomphrai, Khamphee; Garden, Jennifer A.","Heterometallic Li/Zn, Li/Al and Li/In catalysts for <i>rac</i>-lactide ring-opening polymerisation: ""ate"" or ""non-ate"" pathways?","Catalysis science & technology","2025","15","20","6113","6121","10.1039/d5cy00872g","","x-ray","1.54184","CuKα","","0.0998","0.0872","","","0.2358","0.2514","","","","","","1.023","","","","has coordinates,has disorder","303505","2025-11-29","17:12:20",""
"1575592","9.241","0.0001","19.9078","0.0001","13.6849","0.0001","90","","96.153","0.001","90","","2503.08","0.04","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cl2 In Li N2 O6 -","- C23 H24 Cl2 In Li N2 O6 -","- C92 H96 Cl8 In4 Li4 N8 O24 -","4","1","","Piyawongsiri, Thitirat; Gaston, Anand J.; Abdul Rahman, Maisarah; Hughes, Jack W. J.; Rudman, George E.; Lowy, Phoebe A.; Nichol, Gary S.; Morrison, Carole A.; Phomphrai, Khamphee; Garden, Jennifer A.","Heterometallic Li/Zn, Li/Al and Li/In catalysts for <i>rac</i>-lactide ring-opening polymerisation: ""ate"" or ""non-ate"" pathways?","Catalysis science & technology","2025","15","20","6113","6121","10.1039/d5cy00872g","","x-ray","1.54184","CuKα","","0.0216","0.0206","","","0.0528","0.0533","","","","","","1.0525","","","","has coordinates","303505","2025-11-29","17:12:20",""
"1575593","18.6825","0.0003","18.8344","0.0003","10.41","0.0001","90","","90","","90","","3663","0.09","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C19 H20.63 N2 O4.31 Zn -","- C19 H20.63 N2 O4.315 Zn -","- C152 H165.04 N16 O34.52 Zn8 -","8","1","","Jaramillo-García, Jonathan; Sánchez-Mendieta, Víctor; Rosales-Vázquez, Luis D; Morales-Lukie, Raúl A; Martínez-Otero, Diego; German-Acacio, Juan M; Pinzón-Vanegas, Cristian; León-Gómez, Juan Pablo; Dorazco-González, Alejandro","Zn-cycloalkyldicarboxylate 2D-coordination polymers bearing 4,4'-trimethylenebipyridine: crystal structures, solid state CPMAS <sup>13</sup>C NMR structural correlations and luminescence sensing of ethanol.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14763","14778","10.1039/d5dt01490e","","","1.54178","CuKα","","0.0329","0.0328","","","0.0877","0.0879","","","","","","1.107","","","","has coordinates,has disorder","303771","2025-11-29","20:40:58",""
"1575594","35.0661","0.0007","7.7202","0.0002","6.9859","0.0001","90","","90","","90","","1891.2","0.07","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H22 N2 O5 Zn -","- C19 H22 N2 O5 Zn -","- C76 H88 N8 O20 Zn4 -","4","1","","Jaramillo-García, Jonathan; Sánchez-Mendieta, Víctor; Rosales-Vázquez, Luis D; Morales-Lukie, Raúl A; Martínez-Otero, Diego; German-Acacio, Juan M; Pinzón-Vanegas, Cristian; León-Gómez, Juan Pablo; Dorazco-González, Alejandro","Zn-cycloalkyldicarboxylate 2D-coordination polymers bearing 4,4'-trimethylenebipyridine: crystal structures, solid state CPMAS <sup>13</sup>C NMR structural correlations and luminescence sensing of ethanol.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14763","14778","10.1039/d5dt01490e","","","1.54178","CuKα","","0.0583","0.0569","","","0.164","0.1656","","","","","","1.07","","","","has coordinates","303771","2025-11-29","20:41:00",""
"1575595","18.6825","0.0003","18.8344","0.0003","10.41","0.0001","90","","90","","90","","3663","0.09","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C19 H20.63 N2 O4.31 Zn -","- C19 H20.63 N2 O4.315 Zn -","- C152 H165.04 N16 O34.52 Zn8 -","8","1","","Jaramillo-García, Jonathan; Sánchez-Mendieta, Víctor; Rosales-Vázquez, Luis D; Morales-Lukie, Raúl A; Martínez-Otero, Diego; German-Acacio, Juan M; Pinzón-Vanegas, Cristian; León-Gómez, Juan Pablo; Dorazco-González, Alejandro","Zn-cycloalkyldicarboxylate 2D-coordination polymers bearing 4,4'-trimethylenebipyridine: crystal structures, solid state CPMAS <sup>13</sup>C NMR structural correlations and luminescence sensing of ethanol.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14763","14778","10.1039/d5dt01490e","","","1.54178","CuKα","","0.0329","0.0328","","","0.0877","0.0879","","","","","","1.107","","","","has coordinates,has disorder","303771","2025-11-29","20:41:01",""
"1575596","18.2827","0.0006","18.2827","0.0006","20.6322","0.0011","90","","90","","90","","6896.5","0.5","100","","100","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C34 H45 N2 O2 Sb -","- C34 H45 N2 O2 Sb -","- C272 H360 N16 O16 Sb8 -","8","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.0248","0.0235","","","0.067","0.0683","","","","","","1.086","","","","has coordinates","302004","2025-09-04","09:50:23",""
"1575597","10.186","0.004","18.226","0.014","19.858","0.015","90","","90","","90","","3687","4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H53 Bi N2 O2 -","- C41 H53 Bi N2 O2 -","- C164 H212 Bi4 N8 O8 -","4","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.046","0.0357","","","0.0735","0.0778","","","","","","1.076","","","","has coordinates,has disorder","302004","2025-09-04","09:50:25",""
"1575598","11.2137","0.001","22.3307","0.0012","15.4939","0.0015","90","","105.942","0.002","90","","3730.6","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H49 Fe N2 O4 P -","- C41 H49 Fe N2 O4 P -","- C164 H196 Fe4 N8 O16 P4 -","4","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.0401","0.035","","","0.094","0.0984","","","","","","1.013","","","","has coordinates,has disorder","302004","2025-09-04","09:50:25",""
"1575599","13.6886","0.0001","13.6886","0.0001","49.9629","0.0009","90","","90","","120","","8107.68","0.17","100","","100","","","","","","","","","6","P 61","P 61","169","","","","- C52 H80 K N4 O8 P -","- C52 H80 K N4 O8 P -","- C312 H480 K6 N24 O48 P6 -","6","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","1.54178","CuKα","","0.0553","0.0485","","","0.126","0.132","","","","","","1.03","","","","has coordinates,has disorder","302004","2025-09-04","09:50:25",""
"1575600","12.6242","0.0007","16.1575","0.001","18.7294","0.0012","90","","90","","90","","3820.3","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H49 Bi Fe N2 O4 -","- C41 H49 Bi Fe N2 O4 -","- C164 H196 Bi4 Fe4 N8 O16 -","4","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.56086","AgKα","","0.0411","0.0353","","","0.085","0.089","","","","","","1.037","","","","has coordinates,has disorder","302004","2025-09-04","09:50:25",""
"1575601","11.0459","0.0006","15.0934","0.0005","24.3347","0.0011","90","","90","","90","","4057.1","0.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H52 Fe N3 O4 Sb -","- C43 H52 Fe N3 O4 Sb -","- C172 H208 Fe4 N12 O16 Sb4 -","4","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.0213","0.0202","","","0.0494","0.0501","","","","","","1.033","","","","has coordinates","302004","2025-09-04","09:50:26",""
"1575602","19.5035","0.001","19.1189","0.0012","34.1547","0.0018","90","","91.153","0.002","90","","12733.2","1.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60.75 H90 K N4 O8 Sb -","- C52 H80 K N4 O8 Sb -","- C416 H640 K8 N32 O64 Sb8 -","8","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.038","0.0327","","","0.0772","0.0793","","","","","","1.104","","","","has coordinates,has disorder","302004","2025-09-04","09:50:26",""
"1575603","11.1002","0.0007","24.3068","0.0019","29.174","0.002","90","","90.71","0.002","90","","7870.8","1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C170 H205 As4 Fe4 N11 O16 -","- C170 H205 As4 Fe4 N11 O16 -","- C340 H410 As8 Fe8 N22 O32 -","2","0.5","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.0438","0.0346","","","0.0807","0.0844","","","","","","1.059","","","","has coordinates,has disorder","302004","2025-09-04","09:50:26",""
"1575604","14.9091","0.0006","16.9235","0.0008","21.9544","0.0009","90","","103.203","0.002","90","","5393","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H80 K N4 O8 P -","- C52 H80 K N4 O8 P -","- C208 H320 K4 N16 O32 P4 -","4","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.0779","0.0724","","","0.1776","0.1824","","","","","","1.022","","","","has coordinates,has disorder","302004","2025-09-04","09:50:26",""
"1575605","33.0221","0.001","18.8484","0.0005","19.1838","0.0006","90","","115.618","0.001","90","","10766.5","0.6","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C52 H79.5 Bi K N4 O8 -","- C52 H79.5 Bi K N4 O8 -","- C416 H636 Bi8 K8 N32 O64 -","8","2","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.0267","0.0254","","","0.0679","0.0686","","","","","","1.042","","","","has coordinates,has disorder","302004","2025-09-04","09:50:27",""
"1575606","7.0957","0.001","12.1687","0.0017","22.545","0.003","90","","91.046","0.003","90","","1946.3","0.5","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Ba3Al2B12O24","","- Al2 B12 Ba3 O24 -","- Al2 B12 Ba3 O24 -","- Al8 B48 Ba12 O96 -","4","1","","Liu, Xiaorong; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei","Ba<sub>3</sub>Al<sub>2</sub>B<sub>12</sub>O<sub>24</sub>: a beryllium-free member of the Sr<sub>2</sub>Be<sub>2</sub>B<sub>2</sub>O<sub>7</sub> family with a <sup>2</sup> <sub>∞</sub>[B<sub>12</sub>Al<sub>2</sub>O<sub>28</sub>] double-layered structure.","Chemical science","2025","16","38","17766","17771","10.1039/d5sc03854e","","","0.71073","MoKα","","0.0442","0.0363","","","0.0688","0.0733","","","","","","1.067","","","","has coordinates","302559","2025-10-06","08:05:46",""
"1575607","10.9078","0.0002","17.4149","0.0003","20.849","0.0005","90","","103.329","0.002","90","","3853.75","0.14","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Li2 Mg N8 -","- C32 H72 Li2 Mg N8 -","- C128 H288 Li8 Mg4 N32 -","4","1","","Jones, Rebecca S.; Krämer, Tobias; Nichol, Gary S.; Mahon, Mary F.; Kragskow, Jon G. C.; Uzelac, Marina","A direct comparison of lithium tetra(<i>n</i>-butyl) manganate(II) and magnesiate: structural insights and catalytic hydroamination of styrenes.","Chemical communications (Cambridge, England)","2025","61","81","15834","15837","10.1039/d5cc04144a","","x-ray","1.54184","CuKα","","0.0428","0.0405","","","0.1201","0.122","","","","","","1.064","","","","has coordinates","303523","2025-11-29","17:37:46",""
"1575608","10.9743","0.0002","17.4237","0.0003","20.8979","0.0003","90","","103.359","0.002","90","","3887.82","0.12","149.98","0.16","149.98","0.16","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Li2 Mn N8 -","- C32 H72 Li2 Mn N8 -","- C128 H288 Li8 Mn4 N32 -","4","1","","Jones, Rebecca S.; Krämer, Tobias; Nichol, Gary S.; Mahon, Mary F.; Kragskow, Jon G. C.; Uzelac, Marina","A direct comparison of lithium tetra(<i>n</i>-butyl) manganate(II) and magnesiate: structural insights and catalytic hydroamination of styrenes.","Chemical communications (Cambridge, England)","2025","61","81","15834","15837","10.1039/d5cc04144a","","x-ray","1.54184","CuKα","","0.0855","0.0789","","","0.2259","0.2305","","","","","","1.073","","","","has coordinates","303523","2025-11-29","17:37:47",""
"1575609","14.4247","0.0002","15.0569","0.0002","16.6544","0.0002","90","","102.43","0.001","90","","3532.4","0.08","150.01","0.1","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H68 Li2 Mn N4 -","- C28 H68 Li2 Mn N4 -","- C112 H272 Li8 Mn4 N16 -","4","1","","Jones, Rebecca S.; Krämer, Tobias; Nichol, Gary S.; Mahon, Mary F.; Kragskow, Jon G. C.; Uzelac, Marina","A direct comparison of lithium tetra(<i>n</i>-butyl) manganate(II) and magnesiate: structural insights and catalytic hydroamination of styrenes.","Chemical communications (Cambridge, England)","2025","61","81","15834","15837","10.1039/d5cc04144a","","x-ray","1.54184","CuKα","","0.0359","0.0343","","","0.0922","0.0935","","","","","","1.056","","","","has coordinates","303523","2025-11-29","17:37:47",""
"1575610","14.469","0.0001","15.0486","0.0001","16.6452","0.0001","90","","102.526","0.001","90","","3538.03","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H68 Li2 Mg N4 -","- C28 H68 Li2 Mg N4 -","- C112 H272 Li8 Mg4 N16 -","4","1","","Jones, Rebecca S.; Krämer, Tobias; Nichol, Gary S.; Mahon, Mary F.; Kragskow, Jon G. C.; Uzelac, Marina","A direct comparison of lithium tetra(<i>n</i>-butyl) manganate(II) and magnesiate: structural insights and catalytic hydroamination of styrenes.","Chemical communications (Cambridge, England)","2025","61","81","15834","15837","10.1039/d5cc04144a","","x-ray","1.54184","CuKα","","0.0526","0.0497","","","0.1371","0.1395","","","","","","1.048","","","","has coordinates,has disorder","303523","2025-11-29","17:37:47",""
"1575611","10.5208","0.0001","16.6818","0.0002","17.4957","0.0002","103.302","0.001","95.898","0.001","98.207","0.001","2928.16","0.06","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H112 Li4 Mg2 N12 -","- C44 H112 Li4 Mg2 N12 -","- C88 H224 Li8 Mg4 N24 -","2","1","","Jones, Rebecca S.; Krämer, Tobias; Nichol, Gary S.; Mahon, Mary F.; Kragskow, Jon G. C.; Uzelac, Marina","A direct comparison of lithium tetra(<i>n</i>-butyl) manganate(II) and magnesiate: structural insights and catalytic hydroamination of styrenes.","Chemical communications (Cambridge, England)","2025","61","81","15834","15837","10.1039/d5cc04144a","","x-ray","1.54184","CuKα","","0.0509","0.0421","","","0.1275","0.1339","","","","","","1.122","","","","has coordinates,has disorder","303523","2025-11-29","17:37:47",""
"1575612","11.1613","0.0002","20.2074","0.0004","8.883","0.0002","90","","106.633","0.001","90","","1919.65","0.07","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 F N O2 -","- C24 H20 F N O2 -","- C96 H80 F4 N4 O8 -","4","1","","Li, Guiling; Guo, Mengshuang; Zhang, Yijia; Zhang, Xiubin; Dong, Xiaowei; Deng, Xiaotong; Liang, Zijuan; Su, Zongyuan; Zhang, Zhen","Fe(III)/NaBD<sub>4</sub>-mediated regioselective deuteration/cyclization of 1,7-enynes and 1,7-dienes.","Chemical communications (Cambridge, England)","2025","61","83","16266","16269","10.1039/d5cc04107d","","","1.54184","CuKα","","0.0468","0.0424","","","0.1156","0.1201","","","","","","1.045","","","","has coordinates","303517","2025-11-29","17:36:07",""
"1575613","26.8654","0.0006","8.4545","0.0002","20.4183","0.0005","90","","107.279","0.002","90","","4428.38","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 N O4 S -","- C25 H23 N O4 S -","- C200 H184 N8 O32 S8 -","8","1","","Li, Guiling; Guo, Mengshuang; Zhang, Yijia; Zhang, Xiubin; Dong, Xiaowei; Deng, Xiaotong; Liang, Zijuan; Su, Zongyuan; Zhang, Zhen","Fe(III)/NaBD<sub>4</sub>-mediated regioselective deuteration/cyclization of 1,7-enynes and 1,7-dienes.","Chemical communications (Cambridge, England)","2025","61","83","16266","16269","10.1039/d5cc04107d","","x-ray","1.54184","CuKα","","0.0627","0.0576","","","0.1628","0.1685","","","","","","1.046","","","","has coordinates","303517","2025-11-29","17:36:08",""
"1575614","8.96038","0.00018","9.96982","0.00017","11.70333","0.00014","104.966","0.0012","102.014","0.0015","111.377","0.0018","885.86","0.03","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O -","- C24 H21 N O -","- C48 H42 N2 O2 -","2","1","","Yang, Zi-Feng; Meng, Yuan-Jie; Liu, Xin-Xing; Wei, Jiaohang; Wu, Wen-Rong; Liu, Xiang; Zhang, Shang-Shi; Feng, Pengju","Ir(III)-catalyzed selective C-H acylmethylation and dicarbonylation of indolizines with β-ketosulfoxonium ylides.","Chemical communications (Cambridge, England)","2025","61","79","15441","15444","10.1039/d5cc04380h","","x-ray","1.54184","CuKα","","0.0366","0.036","","","0.0913","0.0917","","","","","","1.024","","","","has coordinates","302435","2025-10-06","07:05:25",""
"1575615","6.4543","0.0002","9.7225","0.0004","28.3302","0.0009","90","","90.856","0.003","90","","1777.58","0.11","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C92 H68 N4 O8 -","4","1","","Yang, Zi-Feng; Meng, Yuan-Jie; Liu, Xin-Xing; Wei, Jiaohang; Wu, Wen-Rong; Liu, Xiang; Zhang, Shang-Shi; Feng, Pengju","Ir(III)-catalyzed selective C-H acylmethylation and dicarbonylation of indolizines with β-ketosulfoxonium ylides.","Chemical communications (Cambridge, England)","2025","61","79","15441","15444","10.1039/d5cc04380h","","x-ray","1.54184","CuKα","","0.0749","0.0669","","","0.1914","0.2002","","","","","","1.049","","","","has coordinates","302435","2025-10-06","07:05:27",""
"1575616","8.1581","0.0002","27.6045","0.0005","8.6565","0.0002","90","","91.188","0.002","90","","1949.03","0.07","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Br2 O4 -","- C20 H26 Br2 O4 -","- C80 H104 Br8 O16 -","4","1","","Yoshitani, Akihiro; Sasage, Tomonari; Kato, Ranmaru; Suzuki, Takahiro; Ikeuchi, Kazutada; Tanino, Keiji","Remodelling of tricyclic carbon frameworks with a norbornene scaffold.","Chemical communications (Cambridge, England)","2025","61","84","16372","16375","10.1039/d5cc04790k","","x-ray","1.54184","CuKα","","0.0476","0.0467","","","0.1276","0.1292","","","","","","1.094","","","","has coordinates","303576","2025-11-29","17:54:59",""
"1575617","9.8852","0.0003","12.712","0.0004","12.5984","0.0003","90","","99.531","0.003","90","","1561.27","0.08","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Br O3 -","- C17 H19 Br O3 -","- C68 H76 Br4 O12 -","4","1","","Yoshitani, Akihiro; Sasage, Tomonari; Kato, Ranmaru; Suzuki, Takahiro; Ikeuchi, Kazutada; Tanino, Keiji","Remodelling of tricyclic carbon frameworks with a norbornene scaffold.","Chemical communications (Cambridge, England)","2025","61","84","16372","16375","10.1039/d5cc04790k","","x-ray","1.54184","CuKα","","0.0771","0.0752","","","0.2192","0.2225","","","","","","1.076","","","","has coordinates","303576","2025-11-29","17:54:59",""
"1575618","12.289","0.0003","6.6058","0.0002","15.8019","0.0005","90","","94.587","0.003","90","","1278.67","0.06","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","1","","Yoshitani, Akihiro; Sasage, Tomonari; Kato, Ranmaru; Suzuki, Takahiro; Ikeuchi, Kazutada; Tanino, Keiji","Remodelling of tricyclic carbon frameworks with a norbornene scaffold.","Chemical communications (Cambridge, England)","2025","61","84","16372","16375","10.1039/d5cc04790k","","x-ray","1.54184","CuKα","","0.0488","0.045","","","0.1203","0.124","","","","","","1.042","","","","has coordinates","303576","2025-11-29","17:54:59",""
"1575619","9.883","0.0002","12.5168","0.0002","12.4548","0.0002","90","","108.752","0.002","90","","1458.92","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 Br O2 Si -","- C13 H21 Br O2 Si -","- C52 H84 Br4 O8 Si4 -","4","1","","Yoshitani, Akihiro; Sasage, Tomonari; Kato, Ranmaru; Suzuki, Takahiro; Ikeuchi, Kazutada; Tanino, Keiji","Remodelling of tricyclic carbon frameworks with a norbornene scaffold.","Chemical communications (Cambridge, England)","2025","61","84","16372","16375","10.1039/d5cc04790k","","x-ray","1.54184","CuKα","","0.0425","0.0408","","","0.1095","0.111","","","","","","1.069","","","","has coordinates","303576","2025-11-29","17:54:59",""
"1575620","6.6129","0.0003","8.1963","0.0009","9.6111","0.0009","84.407","0.008","88.851","0.006","84.949","0.006","516.41","0.08","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C24 H32 O4 -","2","1","","Yoshitani, Akihiro; Sasage, Tomonari; Kato, Ranmaru; Suzuki, Takahiro; Ikeuchi, Kazutada; Tanino, Keiji","Remodelling of tricyclic carbon frameworks with a norbornene scaffold.","Chemical communications (Cambridge, England)","2025","61","84","16372","16375","10.1039/d5cc04790k","","x-ray","1.54184","CuKα","","0.0777","0.0705","","","0.1935","0.2025","","","","","","1.066","","","","has coordinates","303576","2025-11-29","17:54:59",""
"1575621","15.539","0.0004","9.5032","0.0002","18.1818","0.0004","90","","97.433","0.002","90","","2662.35","0.11","100","0.1","100","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C31 H29 Br Co0.5 O1.5 P2 -","- C31 H29 Br Co0.5 O1.5 P2 -","- C124 H116 Br4 Co2 O6 P8 -","4","1","","Xu, Chao; Bao, Zhi-Peng; Shao, Sufang; Wu, Xiao-Feng","Cobalt-catalyzed direct carbonylative 3-acylation of (N-H)Indoles with alkyl halides.","Chemical science","2025","16","40","18838","18843","10.1039/d5sc05810d","","x-ray","1.54184","CuKα","","0.0794","0.0735","","","0.1979","0.2035","","","","","","1.049","","","","has coordinates","303658","2025-11-29","18:37:08",""
"1575622","11.6044","0.0003","10.6205","0.0003","17.1687","0.0005","90","","92.03","0.001","90","","2114.62","0.1","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 N4 O10 Zn -","- C46 H48 N4 O10 Zn -","- C92 H96 N8 O20 Zn2 -","2","0.5","","Hossain, Ersad; Sk, Ramjan; Layek, Animesh; Pramanik, Samit; Frontera, Antonio; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata","Effect of π⋯π interactions on the conductivity of two 1D coordination polymers through one-pot crystallization","CrystEngComm","2025","27","40","6630","6638","10.1039/D5CE00825E","","","0.71073","MoKα","","0.0419","0.0343","","","0.094","0.0985","","","","","","1.04","","","","has coordinates","303707","2025-11-29","19:15:40",""
"1575623","15.6121","0.0006","7.9358","0.0003","17.1539","0.0006","90","","96.681","0.001","90","","2110.84","0.14","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 N4 O8 Zn -","- C46 H44 N4 O8 Zn -","- C92 H88 N8 O16 Zn2 -","2","0.5","","Hossain, Ersad; Sk, Ramjan; Layek, Animesh; Pramanik, Samit; Frontera, Antonio; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata","Effect of π⋯π interactions on the conductivity of two 1D coordination polymers through one-pot crystallization","CrystEngComm","2025","27","40","6630","6638","10.1039/D5CE00825E","","","0.71073","MoKα","","0.0818","0.0548","","","0.1447","0.161","","","","","","1.051","","","","has coordinates","303707","2025-11-29","19:15:41",""
"1575624","11.63","0.003","15.246","0.004","15.743","0.005","112.326","0.008","98.243","0.008","91.295","0.008","2546.4","1.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","4,4',6,6'-Tetrakis(diphenylphosphino)-2,2'-bis(1,3,5-triazine)","","- C55 H44 N6 O P4 -","- C55 H44 N6 O P4 -","- C110 H88 N12 O2 P8 -","2","1","","Artem'ev, Alexander V.; Davydova, Maria P.; Kuzmin, Anton V.; Rakhmanova, Mariana I.; Bagryanskaya, Irina Yu","A tetraphosphino-bis(<i>s</i>-triazine) from cyanuric chloride and Ph<sub>2</sub>PH: new unexpected tandem C-C/C-P coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14440","14447","10.1039/d5dt01861g","","","0.71073","MoKα","","0.1375","0.0647","","","0.1584","0.1966","","","","","","1.048","","","","has coordinates","302688","2025-10-06","09:48:14",""
"1575625","17.6368","0.001","21.8612","0.001","18.3488","0.0009","90","","92.894","0.003","90","","7065.6","0.6","296","2","299","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","complex of gold(I) chloride with 4,4',6,6'-Tetrakis(diphenylphosphino)- 2,2'-bis(1,3,5-triazine)","","- C62 H60 Au4 Cl4 N6 O2 P4 -","- C58 H50 Au4 Cl4 N6 O P4 -","- C232 H200 Au16 Cl16 N24 O4 P16 -","4","0.5","","Artem'ev, Alexander V.; Davydova, Maria P.; Kuzmin, Anton V.; Rakhmanova, Mariana I.; Bagryanskaya, Irina Yu","A tetraphosphino-bis(<i>s</i>-triazine) from cyanuric chloride and Ph<sub>2</sub>PH: new unexpected tandem C-C/C-P coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14440","14447","10.1039/d5dt01861g","","","0.71073","MoKα","","0.1161","0.0539","","","0.112","0.1404","","","","","","1.021","","","","has coordinates","302688","2025-10-06","09:48:15",""
"1575626","14.5542","0.0013","16.5391","0.0013","12.5469","0.001","90","","113.137","0.004","90","","2777.3","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2,2'-Bi(1,3,5-triazine)]-4,4',6,6'- tetrayltetrakis(diphenylphosphine selenide)","","- C58 H46 N8 P4 Se4 -","- C58 H46 N8 P4 Se4 -","- C116 H92 N16 P8 Se8 -","2","0.5","","Artem'ev, Alexander V.; Davydova, Maria P.; Kuzmin, Anton V.; Rakhmanova, Mariana I.; Bagryanskaya, Irina Yu","A tetraphosphino-bis(<i>s</i>-triazine) from cyanuric chloride and Ph<sub>2</sub>PH: new unexpected tandem C-C/C-P coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14440","14447","10.1039/d5dt01861g","","","0.71073","MoKα","","0.0926","0.0681","","","0.172","0.1842","","","","","","1.048","","","","has coordinates","302688","2025-10-06","09:48:15",""
"1575627","12.4309","0.0003","10.196","0.0003","14.4797","0.0004","90","","93.648","0.002","90","","1831.52","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Li2 O4 P2 -","- C40 H48 Li2 O4 P2 -","- C80 H96 Li4 O8 P4 -","2","0.5","","Mitchell, Aaron A.; Heine, Paul A.; Chang, Joseph; De Paolis, Adam; Patrick, Brian O.; Gates, Derek P.","Phospha-Peterson reactions with esters and thioesters: isolation of phosphaalkenes bearing C-heteroatom substituents.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14277","14285","10.1039/d5dt01781e","","","1.54178","CuKα","","0.0399","0.0322","","","0.0796","0.0839","","","","","","1.039","","","","has coordinates,has disorder","302698","2025-10-06","09:54:16",""
"1575628","22.5639","0.0014","7.9075","0.0005","14.7859","0.0009","90","","94.28","0.002","90","","2630.8","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 P S -","- C14 H19 P S -","- C112 H152 P8 S8 -","8","1","","Mitchell, Aaron A.; Heine, Paul A.; Chang, Joseph; De Paolis, Adam; Patrick, Brian O.; Gates, Derek P.","Phospha-Peterson reactions with esters and thioesters: isolation of phosphaalkenes bearing C-heteroatom substituents.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14277","14285","10.1039/d5dt01781e","","","0.71073","MoKα","","0.0467","0.0385","","","0.1011","0.1077","","","","","","1.139","","","","has coordinates","302698","2025-10-06","09:54:17",""
"1575629","12.1404","0.0003","11.3809","0.0003","13.9132","0.0003","90","","103.833","0.001","90","","1866.61","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Na2 O4 P2 -","- C40 H48 Na2 O4 P2 -","- C80 H96 Na4 O8 P4 -","2","0.5","","Mitchell, Aaron A.; Heine, Paul A.; Chang, Joseph; De Paolis, Adam; Patrick, Brian O.; Gates, Derek P.","Phospha-Peterson reactions with esters and thioesters: isolation of phosphaalkenes bearing C-heteroatom substituents.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14277","14285","10.1039/d5dt01781e","","","1.54178","CuKα","","0.0313","0.031","","","0.0797","0.0799","","","","","","1.054","","","","has coordinates","302698","2025-10-06","09:54:17",""
"1575630","24.439","0.014","8.332","0.005","15.055","0.009","90","","110.283","0.014","90","","2875","3","100.15","","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H21 P S -","- C15 H21 P S -","- C120 H168 P8 S8 -","8","1","","Mitchell, Aaron A.; Heine, Paul A.; Chang, Joseph; De Paolis, Adam; Patrick, Brian O.; Gates, Derek P.","Phospha-Peterson reactions with esters and thioesters: isolation of phosphaalkenes bearing C-heteroatom substituents.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14277","14285","10.1039/d5dt01781e","","","0.71073","MoKα","","0.0397","0.0326","","","0.0837","0.0885","","","","","","1.041","","","","has coordinates","302698","2025-10-06","09:54:17",""
"1575631","12.6018","0.0004","29.0289","0.0011","12.3545","0.0004","90","","113.08","0.002","90","","4157.7","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 P S -","- C21 H33 P S -","- C168 H264 P8 S8 -","8","2","","Mitchell, Aaron A.; Heine, Paul A.; Chang, Joseph; De Paolis, Adam; Patrick, Brian O.; Gates, Derek P.","Phospha-Peterson reactions with esters and thioesters: isolation of phosphaalkenes bearing C-heteroatom substituents.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14277","14285","10.1039/d5dt01781e","","","1.54178","CuKα","","0.0499","0.0432","","","0.1117","0.1166","","","","","","1.044","","","","has coordinates","302698","2025-10-06","09:54:17",""
"1575632","19.774","0.004","18.507","0.004","26.959","0.007","90","","107.836","0.007","90","","9392","4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Co N4 O8 P2 -","- C40 H64 Co N4 O8 P2 -","- C320 H512 Co8 N32 O64 P16 -","8","2","","Patwal, Ananta; Rana, Rajanikanta; Rajaraman, Gopalan; Murugavel, Ramaswamy","Modulating axial anisotropy in tetrahedral Co(II) phosphonate single-ion magnets through N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15259","15270","10.1039/d5dt01461a","","","0.71073","MoKα","","0.0757","0.0483","","","0.1135","0.1326","","","","","","1.024","","","","has coordinates","303802","2025-11-29","20:57:32",""
"1575633","20.665","0.005","10.1074","0.0015","22.703","0.005","90","","97.138","0.01","90","","4705.2","1.7","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","RM_ANN_158","","- C44 H60 Co N4 O8 P2 -","- C44 H60 Co N4 O8 P2 -","- C176 H240 Co4 N16 O32 P8 -","4","1","","Patwal, Ananta; Rana, Rajanikanta; Rajaraman, Gopalan; Murugavel, Ramaswamy","Modulating axial anisotropy in tetrahedral Co(II) phosphonate single-ion magnets through N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15259","15270","10.1039/d5dt01461a","","","0.71073","MoKα","","0.0803","0.0681","","","0.1732","0.1829","","","","","","1.033","","","","has coordinates","303802","2025-11-29","20:57:33",""
"1575634","14.7475","0.001","10.6615","0.0006","26.4474","0.0018","90","","93.672","0.002","90","","4149.8","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 Co N4 O8 P2 -","- C36 H56 Co N4 O8 P2 -","- C144 H224 Co4 N16 O32 P8 -","4","1","","Patwal, Ananta; Rana, Rajanikanta; Rajaraman, Gopalan; Murugavel, Ramaswamy","Modulating axial anisotropy in tetrahedral Co(II) phosphonate single-ion magnets through N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15259","15270","10.1039/d5dt01461a","","","0.71073","MoKα","","0.0413","0.0294","","","0.0661","0.0731","","","","","","1.039","","","","has coordinates","303802","2025-11-29","20:57:33",""
"1575635","24.281","0.018","23.137","0.015","32.47","0.02","90","","106.79","0.02","90","","17464","2","223","","223","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","QX-Cl","","- C86 H91 Cl F4 N8 O2 S4 -","- C86 H91 Cl F4 N8 O2 S4 -","- C688 H728 Cl8 F32 N64 O16 S32 -","8","1","","Hu, Kewei; Ge, Yu; Yang, Hang; Xu, Yue; Qian, Jiahao; Zhu, Xuncheng; Wu, Yue; Cui, Chaohua; Li, Yongfang","Dispersion effect of chlorination-induced intermolecular stacking optimization of small-molecule acceptors for high-performance organic solar cells","Energy & Environmental Science","2025","18","20","9194","9204","10.1039/D5EE04322K","","x-ray","0.71073","MoKα","","0.2365","0.1459","","","0.3053","0.3449","","","","","","1.148","","","","has coordinates,has disorder","303831","2025-11-29","21:24:49",""
"1575636","25.308","0.015","22.928","0.014","33.61","0.02","90","","108.86","0.017","90","","18456","19","223","","223","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","QX","","- C86 H92 F4 N8 O2 S4 -","- C86 H92 F4 N8 O2 S4 -","- C688 H736 F32 N64 O16 S32 -","8","1","","Hu, Kewei; Ge, Yu; Yang, Hang; Xu, Yue; Qian, Jiahao; Zhu, Xuncheng; Wu, Yue; Cui, Chaohua; Li, Yongfang","Dispersion effect of chlorination-induced intermolecular stacking optimization of small-molecule acceptors for high-performance organic solar cells","Energy & Environmental Science","2025","18","20","9194","9204","10.1039/D5EE04322K","","x-ray","0.71073","MoKα","","0.2259","0.1428","","","0.3081","0.3475","","","","","","1.091","","","","has coordinates","303831","2025-11-29","21:24:50",""
"1575637","24.133","0.002","23.5227","0.0019","32.585","0.003","90","","106.033","0.002","90","","17778","3","193","","193","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","QX-2Cl","","- C86 H90 Cl2 F4 N8 O2 S4 -","- C86 H90 Cl2 F4 N8 O2 S4 -","- C688 H720 Cl16 F32 N64 O16 S32 -","8","1","","Hu, Kewei; Ge, Yu; Yang, Hang; Xu, Yue; Qian, Jiahao; Zhu, Xuncheng; Wu, Yue; Cui, Chaohua; Li, Yongfang","Dispersion effect of chlorination-induced intermolecular stacking optimization of small-molecule acceptors for high-performance organic solar cells","Energy & Environmental Science","2025","18","20","9194","9204","10.1039/D5EE04322K","","x-ray","0.71073","MoKα","","0.2128","0.1475","","","0.3221","0.3527","","","","","","1.192","","","","has coordinates","303831","2025-11-29","21:24:50",""
"1575638","13.557","0.005","11.79","0.004","13.592","0.005","90","","110.637","0.01","90","","2033.1","1.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 N4 O2 -","- C21 H28 N4 O2 -","- C84 H112 N16 O8 -","4","1","","Gajendhiran, Ramalingam; Raees Ahmed, Abbas Khaja; Mithra, Sivaraj; Majeed, Seepoo Abdul; Sahul Hameed, Azeez Sait; Jegadeeshwari, Saravanan; Muthu, Kesavan; NizamMohideen, MohamedHanifa; Rahiman, Aziz Kalilur","Dual-responsive colorimetric and 'turn on' fluorometric probes for the rapid detection of Cu<sup>2+</sup> and F<sup>-</sup> ions: crystal structure, spectral elucidation, smartphone-based colorimetric readout, and applications in the bio-imaging of zebrafish larvae.","Analytical methods : advancing methods and applications","2025","17","39","7920","7935","10.1039/d5ay01091h","","","0.71073","MoKα","","0.1349","0.0843","","","0.1981","0.2269","","","","","","1.033","","","","has coordinates","303498","2025-11-29","17:05:36",""
"1575639","23.51","0.07","42.59","0.1","104.3","0.3","90","","90","","90","","104435","5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","metal–peptide helical β-sheet tape (Abu, Val)","","- C34.67 H49 Ag F5 N7.83 O12.33 S1.67 -","- C34.6667 H47 Ag F5 N7.83333 O12.3333 S1.66667 -","- C1664 H2256 Ag48 F240 N376 O592 S80 -","48","12","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","0.7","synchrotron","","0.2237","0.1581","","","0.3613","0.4099","","","","","","1.288","","","","has coordinates","303660","2025-11-29","18:40:14",""
"1575640","22.89","0.03","22.89","0.03","51.99","0.05","90","","90","","90","","27240","6","100","2","100","2","","","","","","","","7","P 43 2 2","P 4cw 2c","95","","metal–peptide helical β-sheet tape (Thr, Tle)","","- C35 H50 Ag F3 N7.5 O11.5 S -","- C35 H49 Ag F3 N7.5 O11.5 S -","- C560 H784 Ag16 F48 N120 O184 S16 -","16","2","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","1","synchrotron","","0.3066","0.1939","","","0.4502","0.5295","","","","","","1.298","","","","has coordinates","303660","2025-11-29","18:40:14",""
"1575641","14.238","0.003","16.076","0.003","18.83","0.004","83.96","0.03","73.23","0.03","83.06","0.03","4085.2","1.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","pentapeptide ligand (Val, Val)","","- C34.75 H52.25 N7.25 O9 -","- C34.75 H50.75 N7.25 O9 -","- C139 H203 N29 O36 -","4","4","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","1","synchrotron","","0.1348","0.1307","","","0.3378","0.3514","","","","","","1.337","","","","has coordinates","303660","2025-11-29","18:40:14",""
"1575642","32.1","0.02","32.1","0.02","90.47","0.07","90","","90","","120","","80732","9","100","2","100","2","","","","","","","","7","P 61 2 2","P 61 2 (0 0 5)","178","","metal–peptide double helical β-sheet tape (Val, Tle)","","- C36.35 H53 Ag F4.05 N7.67 O11.7 S1.35 -","- C36.35 H51 Ag F4.05 N7.675 O11.7 S1.35 -","- C1744.8 H2448 Ag48 F194.4 N368.4 O561.6 S64.8 -","48","4","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","0.7","synchrotron","","0.2392","0.1848","","","0.4253","0.4788","","","","","","1.272","","","","has coordinates,has disorder","303660","2025-11-29","18:40:14",""
"1575643","20.786","0.011","35.384","0.01","51.125","0.016","90","","90","","90","","37602","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","metal–peptide β-bulge structure (Tle, Tle)","","- C36 H53.75 Ag F4.72 N7 O8.38 Sb0.79 -","- C36 H53 Ag F4.725 N7 O8.375 Sb0.7875 -","- C1152 H1696 Ag32 F151.2 N224 O268 Sb25.2 -","32","8","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","1","synchrotron","","0.1985","0.1545","","","0.4034","0.4455","","","","","","1.281","","","","has coordinates","303660","2025-11-29","18:40:14",""
"1575644","25.8746","0.0005","25.8746","0.0005","50.6017","0.0008","90","","90","","120","","29338.8","0.9","100","2","100","2","","","","","","","","7","P 32 1 2","P 32 2 (0 0 2)","153","","metal–peptide double helical β-sheet tape (Ile, Val)","","- C36.25 H51 Ag F3.75 N7.62 O10.5 S1.25 -","- C36.25 H51 Ag F3.75 N7.625 O10.5 S1.25 -","- C870 H1224 Ag24 F90 N183 O252 S30 -","24","4","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","1.54184","CuKα","","0.228","0.11","","","0.2631","0.2966","","","","","","1.077","","","","has coordinates,has disorder","303660","2025-11-29","18:40:14",""
"1575645","25.794","0.004","25.794","0.004","50.545","0.01","90","","90","","120","","29124","9","100","2","100","2","","","","","","","","7","P 32","P 32","145","","metal–peptide double helical β-sheet tape (Val, Val)","","- C35.58 H51 Ag F4.72 N7.79 O11.65 S1.57 -","- C35.575 H49 Ag F4.725 N7.7875 O11.65 S1.575 -","- C853.8 H1176 Ag24 F113.4 N186.9 O279.6 S37.8 -","24","8","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","1.54184","CuKα","","0.0755","0.0736","","","0.1946","0.1992","","","","","","1.035","","","","has coordinates,has disorder","303660","2025-11-29","18:40:14",""
"1575646","24.635","0.007","44.065","0.012","103.3","0.02","90","","90","","90","","112136","5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","metal–peptide helical β-sheet tape (Val, Val) with C12","","- C46.63 H71.33 Ag0.92 F4.9 N7.82 O11.43 S1.63 -","- C46.6333 H71 Ag0.916667 F4.9 N7.81667 O11.4333 S1.63333 -","- C2238.4 H3408 Ag44 F235.2 N375.2 O548.8 S78.4 -","48","12","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","1","synchrotron","","0.3468","0.1885","","","0.4201","0.511","","","","","","1.285","","","","has coordinates","303660","2025-11-29","18:40:14",""
"1575647","8.3257","0.0003","9.4769","0.0003","17.6231","0.0006","90","","90","","90","","1390.49","0.08","150","2","150.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 Br4 N Pb -","- C7 H18 Br4 N Pb -","- C28 H72 Br16 N4 Pb4 -","4","0.5","","Yang, Gang; Ye, Wei; Shen, Yueqi; Shao, Dong-Sheng; Liu, Jian-Lan; Tian, Zheng-Fang; Ning, Weihua; Ren, Xiao-Ming","Thermally responsive multistate fluorescence coupled with uniaxial negative thermal expansion in 1D lead halide hybrids.","Chemical science","2025","16","40","18766","18774","10.1039/d5sc05322f","","","0.71073","MoKα","","0.0311","0.0284","","","0.0761","0.0776","","","","","","1.063","","","","has coordinates,has disorder","303651","2025-11-29","18:34:51",""
"1575648","8.2813","0.0006","9.5881","0.0007","18.1544","0.0018","90","","90","","90","","1441.5","0.2","321","2","321.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","BR-HTP","","- C7 H15 Br4 N Pb -","- C7 H15 Br4 N Pb -","- C28 H60 Br16 N4 Pb4 -","4","0.5","","Yang, Gang; Ye, Wei; Shen, Yueqi; Shao, Dong-Sheng; Liu, Jian-Lan; Tian, Zheng-Fang; Ning, Weihua; Ren, Xiao-Ming","Thermally responsive multistate fluorescence coupled with uniaxial negative thermal expansion in 1D lead halide hybrids.","Chemical science","2025","16","40","18766","18774","10.1039/d5sc05322f","","","0.71073","MoKα","","0.0554","0.0431","","","0.1128","0.119","","","","","","1.063","","","","has coordinates","303651","2025-11-29","18:34:52",""
"1575649","8.0114","0.0004","9.1767","0.0004","17.0882","0.0007","90","","90","","90","","1256.29","0.1","150","2","150.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Cl-150K","","- C7 H15 Cl4 N Pb -","- C7 H15 Cl4 N Pb -","- C28 H60 Cl16 N4 Pb4 -","4","0.5","","Yang, Gang; Ye, Wei; Shen, Yueqi; Shao, Dong-Sheng; Liu, Jian-Lan; Tian, Zheng-Fang; Ning, Weihua; Ren, Xiao-Ming","Thermally responsive multistate fluorescence coupled with uniaxial negative thermal expansion in 1D lead halide hybrids.","Chemical science","2025","16","40","18766","18774","10.1039/d5sc05322f","","","0.71073","MoKα","","0.0408","0.0371","","","0.1155","0.1219","","","","","","0.731","","","","has coordinates,has disorder","303651","2025-11-29","18:34:52",""
"1575650","7.9422","0.0004","9.3809","0.0005","17.8601","0.0011","90","","90","","90","","1330.67","0.13","390","2","390.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 Cl4 N Pb -","- C7 H15 Cl4 N Pb -","- C28 H60 Cl16 N4 Pb4 -","4","0.5","","Yang, Gang; Ye, Wei; Shen, Yueqi; Shao, Dong-Sheng; Liu, Jian-Lan; Tian, Zheng-Fang; Ning, Weihua; Ren, Xiao-Ming","Thermally responsive multistate fluorescence coupled with uniaxial negative thermal expansion in 1D lead halide hybrids.","Chemical science","2025","16","40","18766","18774","10.1039/d5sc05322f","","","0.71073","MoKα","","0.0611","0.0501","","","0.1342","0.1404","","","","","","1.065","","","","has coordinates","303651","2025-11-29","18:34:52",""
"1575651","12.9423","0.0002","19.0119","0.0004","20.27","0.0003","109.672","0.002","93.581","0.001","105.223","0.002","4468.8","0.16","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C80 H56 B4 F16 N12 Pd2 -","- C80 H56 B4 F16 N12 Pd2 -","- C160 H112 B8 F32 N24 Pd4 -","2","1","","Molinska, Paulina; Male, Louise; Lewis, James E. M.","Coordination sphere interactions drive isomer selection in heteroleptic Pd(ii) cages with low-symmetry ligands.","Chemical science","2025","16","38","17939","17947","10.1039/d5sc04881h","","x-ray","1.54184","CuKα","","0.0701","0.0613","","","0.1758","0.1862","","","","","","1.045","","","","has coordinates,has disorder","302563","2025-10-06","08:06:54",""
"1575652","12.5045","0.0004","42.5947","0.0013","15.1704","0.0005","90","","100.318","0.003","90","","7949.5","0.4","100","0.1","100","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C74 H59 B4 F16 N9 O Pd2 -","- C74 H59 B4 F16 N9 O Pd2 -","- C296 H236 B16 F64 N36 O4 Pd8 -","4","0.5","","Molinska, Paulina; Male, Louise; Lewis, James E. M.","Coordination sphere interactions drive isomer selection in heteroleptic Pd(ii) cages with low-symmetry ligands.","Chemical science","2025","16","38","17939","17947","10.1039/d5sc04881h","","x-ray","1.54184","CuKα","","0.0776","0.0658","","","0.1868","0.2019","","","","","","1.024","","","","has coordinates,has disorder","302563","2025-10-06","08:06:54",""
"1575653","11.4465","0.0002","18.8695","0.0004","20.7359","0.0004","63.129","0.002","85.66","0.002","82.854","0.002","3963.17","0.15","99.99","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H54 B4 F16 N14 Pd2 -","- C72 H54 B4 F16 N14 Pd2 -","- C144 H108 B8 F32 N28 Pd4 -","2","1","","Molinska, Paulina; Male, Louise; Lewis, James E. M.","Coordination sphere interactions drive isomer selection in heteroleptic Pd(ii) cages with low-symmetry ligands.","Chemical science","2025","16","38","17939","17947","10.1039/d5sc04881h","","","1.54184","CuKα","","0.0973","0.0789","","","0.218","0.2323","","","","","","1.028","","","","has coordinates,has disorder","302563","2025-10-06","08:06:54",""
"1575654","25.5025","0.0004","23.9957","0.0002","25.7921","0.0004","90","","118.148","0.002","90","","13916.8","0.4","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H78 Cl2 N4 P2 -","- C57 H78 Cl2 N4 P2 -","- C456 H624 Cl16 N32 P16 -","8","1","","Liu, Shihua; Zheng, Shunlin; Lin, Jieli; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Büchner-type ring expansion of aromatic main-group biradicaloids toward phosphorus radical-derived NIR-II photothermal materials.","Chemical science","2025","16","40","18775","18782","10.1039/d5sc06158j","","x-ray","1.54184","CuKα","","0.0737","0.0673","","","0.2229","0.2286","","","","","","1.075","","","","has coordinates,has disorder","303659","2025-11-29","18:38:34",""
"1575655","15.6986","0.0003","24.4943","0.0004","16.1351","0.0003","90","","112.034","0.002","90","","5751.2","0.2","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H77 Cl N4 P2 -","- C57 H77 Cl N4 P2 -","- C228 H308 Cl4 N16 P8 -","4","0.5","","Liu, Shihua; Zheng, Shunlin; Lin, Jieli; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Büchner-type ring expansion of aromatic main-group biradicaloids toward phosphorus radical-derived NIR-II photothermal materials.","Chemical science","2025","16","40","18775","18782","10.1039/d5sc06158j","","x-ray","1.54184","CuKα","","0.0484","0.0448","","","0.114","0.1164","","","","","","1.041","","","","has coordinates,has disorder","303659","2025-11-29","18:38:34",""
"1575656","16.5434","0.0014","12.843","0.0011","25.526","0.002","90","","102.619","0.004","90","","5292.4","0.8","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C57 H77 N4 P2 -","- C57 H77 N4 P2 -","- C228 H308 N16 P8 -","4","1","","Liu, Shihua; Zheng, Shunlin; Lin, Jieli; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Büchner-type ring expansion of aromatic main-group biradicaloids toward phosphorus radical-derived NIR-II photothermal materials.","Chemical science","2025","16","40","18775","18782","10.1039/d5sc06158j","","","0.71073","MoKα","","0.1132","0.0992","","","0.2766","0.2879","","","","","","1.069","","","","has coordinates,has disorder","303659","2025-11-29","18:38:34",""
"1575657","13.0129","0.0001","24.5134","0.0001","24.1033","0.0001","90","","102.906","0.001","90","","7494.49","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H94 Cl2 F4 N4 P2 -","- C81 H94 Cl2 F4 N4 P2 -","- C324 H376 Cl8 F16 N16 P8 -","4","1","","Liu, Shihua; Zheng, Shunlin; Lin, Jieli; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Büchner-type ring expansion of aromatic main-group biradicaloids toward phosphorus radical-derived NIR-II photothermal materials.","Chemical science","2025","16","40","18775","18782","10.1039/d5sc06158j","","x-ray","1.54184","CuKα","","0.0615","0.0573","","","0.1605","0.1642","","","","","","1.031","","","","has coordinates,has disorder","303659","2025-11-29","18:38:34",""
"1575658","11.1708","0.0003","12.7473","0.0003","30.2636","0.0008","90","","90.188","0.002","90","","4309.44","0.19","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 N2 O10 -","- C50 H50 N2 O10 -","- C200 H200 N8 O40 -","4","1","","Gentilini, Emilie; Bouschon, Anaïs; Davenel, Vincent; Fontaine-Vive, Fabien; Fourquez, Jean-Marie; Michelet, Véronique","Silver- and gold-catalyzed divergent cascade cycloisomerization/[3 + 2] <i>versus</i> [2 + 2 + 1] cycloaddition towards a stereoselective access to heterohexacyclic derivatives.","Chemical science","2025","16","38","17611","17620","10.1039/d5sc05338b","","x-ray","0.71073","MoKα","","0.1266","0.0768","","","0.1938","0.2273","","","","","","1.034","","","","has coordinates,has disorder","302558","2025-10-06","08:05:35",""
"1575659","11.5471","0.0004","16.4155","0.0007","11.7506","0.0005","90","","105.849","0.004","90","","2142.67","0.15","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","1","","Gentilini, Emilie; Bouschon, Anaïs; Davenel, Vincent; Fontaine-Vive, Fabien; Fourquez, Jean-Marie; Michelet, Véronique","Silver- and gold-catalyzed divergent cascade cycloisomerization/[3 + 2] <i>versus</i> [2 + 2 + 1] cycloaddition towards a stereoselective access to heterohexacyclic derivatives.","Chemical science","2025","16","38","17611","17620","10.1039/d5sc05338b","","x-ray","0.71073","MoKα","","0.0812","0.0618","","","0.1676","0.1849","","","","","","1.043","","","","has coordinates","302558","2025-10-06","08:05:35",""
"1575660","9.9369","0.0003","10.2194","0.0002","17.2209","0.0004","90.8586","0.0018","95.7957","0.0019","106.056","0.002","1670.28","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 B I5 N2 Si -","- C27 H36 B I5 N2 Si -","- C54 H72 B2 I10 N4 Si2 -","2","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0305","0.0297","","","0.083","0.0837","","","","","","1.048","","","","has coordinates","303611","2025-11-29","18:19:53",""
"1575661","16.2424","0.0002","21.4873","0.0003","14.3571","0.0002","90","","96.933","0.001","90","","4974.07","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 B I5 P Si -","- C18 H15 B I5 P Si -","- C144 H120 B8 I40 P8 Si8 -","8","2","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0367","0.0245","","","0.0507","0.0516","","","","","","0.795","","","","has coordinates","303611","2025-11-29","18:19:55",""
"1575662","10.3063","0.0007","13.1717","0.001","17.006","0.0013","102.565","0.006","106.946","0.006","96.664","0.006","2115.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 B Cl5 P Si -","- C18 H15 B Cl5 P Si -","- C72 H60 B4 Cl20 P4 Si4 -","4","2","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0693","0.047","","","0.1071","0.1198","","","","","","1.023","","","","has coordinates","303611","2025-11-29","18:19:56",""
"1575663","13.9353","0.0003","8.42736","0.00019","13.3513","0.0002","90","","90","","90","","1567.95","0.05","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H5 B I5 N Si -","- C5 H5 B I5 N Si -","- C20 H20 B4 I20 N4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0332","0.032","","","0.0774","0.0782","","","","","","1.038","","","","has coordinates,has disorder","303611","2025-11-29","18:19:56",""
"1575664","9.4185","0.0004","10.7141","0.0005","12.9896","0.0004","75.377","0.003","78.132","0.003","84.148","0.003","1239.48","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 B I5 P Si -","- C18 H15 B I5 P Si -","- C36 H30 B2 I10 P2 Si2 -","2","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0398","0.0359","","","0.0909","0.094","","","","","","1.037","","","","has coordinates","303611","2025-11-29","18:19:56",""
"1575665","8.79053","0.00014","14.6868","0.0002","24.6134","0.0004","90","","90","","90","","3177.71","0.08","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 B I5 Si -","- C6 H10 B I5 Si -","- C48 H80 B8 I40 Si8 -","8","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0276","0.0253","","","0.0606","0.0616","","","","","","1.099","","","","has coordinates","303611","2025-11-29","18:19:56",""
"1575666","7.1191","0.0003","16.0988","0.0007","9.7847","0.0003","90","","95.647","0.003","90","","1115.97","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 B Cl5 S Si -","- C2 H6 B Cl5 S Si -","- C8 H24 B4 Cl20 S4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0383","0.0319","","","0.0779","0.0819","","","","","","1.048","","","","has coordinates","303611","2025-11-29","18:19:56",""
"1575667","8.53823","0.00016","9.89175","0.00018","13.7811","0.0003","90","","97.3526","0.0019","90","","1154.35","0.04","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 B Cl5 N Si -","- C5 H5 B Cl5 N Si -","- C20 H20 B4 Cl20 N4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0307","0.0285","","","0.0752","0.0772","","","","","","1.051","","","","has coordinates","303611","2025-11-29","18:19:56",""
"1575668","7.6585","0.0004","14.3673","0.0006","12.0598","0.0007","90","","107.507","0.006","90","","1265.5","0.12","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- B2 I12 Si3 -","- B2 I12 Si3 -","- B4 I24 Si6 -","2","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0501","0.0378","","","0.0746","0.0796","","","","","","1.02","","","","has coordinates,has disorder","303611","2025-11-29","18:19:56",""
"1575669","8.438","0.00017","26.5897","0.0005","12.7476","0.0003","90","","96.835","0.002","90","","2839.77","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 B I5 S Si -","- C2 H6 B I5 S Si -","- C16 H48 B8 I40 S8 Si8 -","8","2","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0388","0.0336","","","0.0901","0.0944","","","","","","1.05","","","","has coordinates","303611","2025-11-29","18:19:56",""
"1575670","14.68163","0.00019","14.68163","0.00019","15.7976","0.0003","90","","90","","120","","2948.97","0.08","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H15 B I3 P -","- C18 H15 B I3 P -","- C108 H90 B6 I18 P6 -","6","0.333333","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0184","0.0172","","","0.0434","0.0439","","","","","","1.093","","","","has coordinates","303611","2025-11-29","18:19:56",""
"1575671","16.819","0.0009","12.8372","0.0005","16.3668","0.0007","90","","118.691","0.006","90","","3099.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 B I3 N2 -","- C27 H36 B I3 N2 -","- C108 H144 B4 I12 N8 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.044","0.0394","","","0.0904","0.0923","","","","","","1.182","","","","has coordinates","303611","2025-11-29","18:19:56",""
"1575672","12.877","0.0009","9.8069","0.0006","13.5196","0.001","90","","102.896","0.007","90","","1664.2","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 B Cl5 S Si -","- C10 H12 B Cl5 S Si -","- C40 H48 B4 Cl20 S4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0688","0.0366","","","0.0647","0.0682","","","","","","0.718","","","","has coordinates,has disorder","303611","2025-11-29","18:19:57",""
"1575673","6.88451","0.00012","10.11785","0.00018","24.8575","0.0004","90","","96.7665","0.0017","90","","1719.42","0.05","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 B I5 N Si -","- C7 H9 B I5 N Si -","- C28 H36 B4 I20 N4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.025","0.0231","","","0.0573","0.0586","","","","","","1.116","","","","has coordinates","303611","2025-11-29","18:19:57",""
"1575674","7.2014","0.0004","10.4366","0.0005","10.9255","0.0005","90","","91.266","0.005","90","","820.94","0.07","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C4 H10 B I5 S Si -","- C4 H10 B I5 S Si -","- C8 H20 B2 I10 S2 Si2 -","2","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0559","0.0427","","","0.1199","0.1325","","","","","","1.056","","","","has coordinates","303611","2025-11-29","18:19:57",""
"1575675","7.2744","0.0004","8.7817","0.0004","8.9556","0.0005","85.843","0.004","85.31","0.004","85.904","0.004","567.45","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 B I3 S -","- C4 H10 B I3 S -","- C8 H20 B2 I6 S2 -","2","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0248","0.0241","","","0.0627","0.0636","","","","","","1.089","","","","has coordinates","303611","2025-11-29","18:19:57",""
"1575676","17.5229","0.0002","17.5229","0.0002","26.2872","0.0005","90","","90","","120","","6990.16","0.17","173","2","173","2","","","","","","","","6","P 32","P 32","145","","","","- C27 H36 B Cl5 N2 Si -","- C27 H36 B Cl5 N2 Si -","- C243 H324 B9 Cl45 N18 Si9 -","9","3","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0423","0.036","","","0.0802","0.0837","","","","","","1.03","","","","has coordinates","303611","2025-11-29","18:19:57",""
"1575677","15.8306","0.0004","7.30808","0.00016","13.7822","0.0004","90","","90","","90","","1594.48","0.07","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H10 B I5 Si -","- C6 H10 B I5 Si -","- C24 H40 B4 I20 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0265","0.0254","","","0.0564","0.0569","","","","","","1.066","","","","has coordinates","303611","2025-11-29","18:19:58",""
"1575678","8.41865","0.00016","13.8073","0.0003","12.3034","0.0002","90","","91.499","0.0018","90","","1429.64","0.05","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 B I5 S Si -","- C2 H6 B I5 S Si -","- C8 H24 B4 I20 S4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0352","0.0329","","","0.0836","0.0851","","","","","","1.086","","","","has coordinates","303611","2025-11-29","18:19:59",""
"1575679","12.2698","0.0004","12.935","0.0005","13.0533","0.0005","90","","90","","90","","2071.69","0.13","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 B Cl0.97 I5.03 N Si -","- C8 H20 B Cl0.9725 I5.0275 N Si -","- C32 H80 B4 Cl3.89 I20.11 N4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0326","0.0305","","","0.0722","0.0741","","","","","","1.046","","","","has coordinates","303611","2025-11-29","18:20:00",""
"1575680","11.4943","0.0004","12.1239","0.0004","12.3124","0.0005","90","","90","","90","","1715.8","0.11","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C8 H20 B Cl6 N Si -","- C8 H20 B Cl6 N Si -","- C32 H80 B4 Cl24 N4 Si4 -","4","0.5","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0371","0.0286","","","0.0692","0.0742","","","","","","1.059","","","","has coordinates","303611","2025-11-29","18:20:01",""
"1575681","45.752","0.009","8.828","0.0018","8.837","0.0018","90","","99.73","0.03","90","","3517.9","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 I6 N2 O2 Pb2 -","- C12 H24 I6 N2 O2 Pb2 -","- C48 H96 I24 N8 O8 Pb8 -","4","0.5","","Jung, Mi-Hee","Near-infrared light emitting diodes based on an oxygen moiety containing 2D Ruddlesden–Popper perovskites","CrystEngComm","2025","27","40","6660","6671","10.1039/D5CE00805K","","","0.7","","","0.3128","0.2897","","","0.6612","0.677","","","","","","4.982","","","","has coordinates","303704","2025-11-29","19:15:12",""
"1575682","21.235","0.004","54","0.011","8.744","0.0018","90","","90","","90","","10027","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H78 I21 N6 O6 Pb6 -","- C30 H78 I21 N6 O6 Pb6 -","- C120 H312 I84 N24 O24 Pb24 -","4","0.5","","Jung, Mi-Hee","Near-infrared light emitting diodes based on an oxygen moiety containing 2D Ruddlesden–Popper perovskites","CrystEngComm","2025","27","40","6660","6671","10.1039/D5CE00805K","","","0.7","","","0.1401","0.0984","","","0.294","0.3315","","","","","","1.047","","","","has coordinates","303704","2025-11-29","19:15:12",""
"1575683","3.7362","0.0001","5.8097","0.0002","28.4932","0.001","93.959","0.001","93.171","0.001","90.101","0.001","616.05","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 Au Cl N3 -","- C13 H9 Au Cl N3 -","- C26 H18 Au2 Cl2 N6 -","2","1","","Raïch Panisello, Ot; Jover, Jesús; Puigjaner, Cristina; Ferrer, Montserrat; Martínez, Manuel","Kinetico-mechanistic insights into the photodynamic process of Au<sup>I</sup> complexes with the CNC<sub>6</sub>H<sub>4</sub>NNC<sub>6</sub>H<sub>5</sub> (iso-Ph) azobenzene ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15134","15143","10.1039/d5dt01292a","","","0.71073","MoKα","","0.0328","0.0291","","","0.082","0.0852","","","","","","1.071","","","","has coordinates,has disorder","303808","2025-11-29","20:59:46",""
"1575684","6.6995","0.0006","28.236","0.003","7.0129","0.0007","90","","102.061","0.004","90","","1297.3","0.2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C27 H18 Au F3 N6 O3 S -","- C27 H18 Au F3 N6 O3 S -","- C54 H36 Au2 F6 N12 O6 S2 -","2","0.25","","Raïch Panisello, Ot; Jover, Jesús; Puigjaner, Cristina; Ferrer, Montserrat; Martínez, Manuel","Kinetico-mechanistic insights into the photodynamic process of Au<sup>I</sup> complexes with the CNC<sub>6</sub>H<sub>4</sub>NNC<sub>6</sub>H<sub>5</sub> (iso-Ph) azobenzene ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15134","15143","10.1039/d5dt01292a","","","0.71073","MoKα","","0.0638","0.0626","","","0.1646","0.1653","","","","","","1.055","","","","has coordinates,has disorder","303808","2025-11-29","20:59:46",""
"1575685","6.7936","0.0001","16.7585","0.0003","19.3514","0.0003","90","","90","","90","","2203.17","0.06","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- H2 K2 O S5 Sn2 -","- H2 K2 O S5 Sn2 -","- H16 K16 O8 S40 Sn16 -","8","1","","Ren, Yu-Wei; Luo, Jia-Hua; Chen, Zhi-Hua; Liu, Shu-Zhen; Guo, Xin-Ping; Chen, Guo-Yang; Feng, Mei-Ling; Huang, Xiao-Ying","The efficient removal of Sr<sup>2+</sup> using two thiostannates <i>via</i> ion exchange.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15055","15061","10.1039/d5dt01904d","","","0.71073","MoKα","","0.0241","0.0194","","","0.0469","0.0487","","","","","","1.063","","","","has coordinates","303809","2025-11-29","21:00:05",""
"1575686","6.812","0.0003","17.0588","0.0007","19.458","0.0008","90","","90","","90","","2261.11","0.16","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- H2 K1.1 O Rb0.9 S5 Sn2 -","- H2 K1.102 O Rb0.898 S5 Sn2 -","- H16 K8.816 O8 Rb7.184 S40 Sn16 -","8","1","","Ren, Yu-Wei; Luo, Jia-Hua; Chen, Zhi-Hua; Liu, Shu-Zhen; Guo, Xin-Ping; Chen, Guo-Yang; Feng, Mei-Ling; Huang, Xiao-Ying","The efficient removal of Sr<sup>2+</sup> using two thiostannates <i>via</i> ion exchange.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15055","15061","10.1039/d5dt01904d","","","0.71073","MoKα","","0.041","0.0265","","","0.0543","0.0594","","","","","","1.055","","","","has coordinates,has disorder","303809","2025-11-29","21:00:07",""
"1575687","13.1992","0.0008","13.8549","0.0009","15.7166","0.0009","77.997","0.002","88.205","0.002","70.621","0.002","2649.8","0.3","101","","101","","","","","","","","","8","P -1","-P 1","2","","","","- C49.93 H41.77 Cu D17.8 F6 O6 P3 S3.97 -","- C47.9264 H35.773 Cu D17.8032 F6 O4.9992 P3 S2.9672 -","- C95.8528 H71.546 Cu2 D35.6064 F12 O9.9984 P6 S5.9344 -","2","1","","Chandima, A. M. Buddhika; Sgro, Griffyn; Hilditch, Sierra M.; Kaluarachchige Don, Umesh I.; Ward, Cassandra L.; Anderson, Dennis P.; Herman, Limor; Gelman, Dmitri; Lord, Richard L.; Groysman, Stanislav","Heterodinuclear Cu(I)/Mo(VI) chemistry with bifunctional dibenzobarrelene ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14716","14727","10.1039/d5dt01337b","","","0.71073","MoKα","","0.0614","0.0465","","","0.125","0.1344","","","","","","1.025","","","","has coordinates,has disorder","303776","2025-11-29","20:45:49",""
"1575688","12.7377","0.0016","14.6834","0.0018","15.876","0.002","74.36","0.004","84.718","0.004","74.392","0.004","2753.3","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H61.51 Cu F6 N O7.26 P3 -","- C56 H61.508 Cu F6 N O7.254 P3 -","- C112 H123.016 Cu2 F12 N2 O14.508 P6 -","2","1","","Chandima, A. M. Buddhika; Sgro, Griffyn; Hilditch, Sierra M.; Kaluarachchige Don, Umesh I.; Ward, Cassandra L.; Anderson, Dennis P.; Herman, Limor; Gelman, Dmitri; Lord, Richard L.; Groysman, Stanislav","Heterodinuclear Cu(I)/Mo(VI) chemistry with bifunctional dibenzobarrelene ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14716","14727","10.1039/d5dt01337b","","","0.71073","MoKα","","0.1122","0.081","","","0.2198","0.2401","","","","","","1.044","","","","has coordinates,has disorder","303776","2025-11-29","20:45:50",""
"1575689","16.0253","0.0014","17.1157","0.0014","18.2784","0.0015","87.912","0.003","76.933","0.003","75.879","0.003","4735.2","0.7","101","","101","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H103.62 Cu2 Mo O13.81 P4 S5 -","- C89 H88.618 Cu2 Mo O11.309 P4 S2.5 -","- C178 H177.236 Cu4 Mo2 O22.618 P8 S5 -","2","1","","Chandima, A. M. Buddhika; Sgro, Griffyn; Hilditch, Sierra M.; Kaluarachchige Don, Umesh I.; Ward, Cassandra L.; Anderson, Dennis P.; Herman, Limor; Gelman, Dmitri; Lord, Richard L.; Groysman, Stanislav","Heterodinuclear Cu(I)/Mo(VI) chemistry with bifunctional dibenzobarrelene ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14716","14727","10.1039/d5dt01337b","","","0.71073","MoKα","","0.1717","0.111","","","0.2781","0.3127","","","","","","0.998","","","","has coordinates,has disorder","303776","2025-11-29","20:45:50",""
"1575690","10.142","0.0006","13.4472","0.0009","15.6399","0.0009","90","","107.874","0.003","90","","2030","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 O6 Ti -","- C24 H20 O6 Ti -","- C96 H80 O24 Ti4 -","4","1","","Mouriki, Olympia; Passeri, Ginevra; Singh, Karampal; Lamorte, Sarah D.; Singh, Kuldip; Suntharalingam, Kogularamanan; Kilpatrick, Alexander F. R.","Anti-breast cancer stem cell activity of titanocene complexes of non-steroidal anti-inflammatory drugs.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15389","15394","10.1039/d5dt01491c","","","1.54178","CuKα","","0.0917","0.0475","","","0.1237","0.1395","","","","","","1.031","","","","has coordinates","303734","2025-11-29","20:13:52",""
"1575691","7.6103","0.0006","15.0673","0.0011","28.67","0.002","90","","90","","90","","3287.5","0.4","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 N2 O4 Ti -","- C40 H38 N2 O4 Ti -","- C160 H152 N8 O16 Ti4 -","4","1","","Mouriki, Olympia; Passeri, Ginevra; Singh, Karampal; Lamorte, Sarah D.; Singh, Kuldip; Suntharalingam, Kogularamanan; Kilpatrick, Alexander F. R.","Anti-breast cancer stem cell activity of titanocene complexes of non-steroidal anti-inflammatory drugs.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15389","15394","10.1039/d5dt01491c","","","1.54178","CuKα","","0.0787","0.0616","","","0.1606","0.1671","","","","","","1.105","","","","has coordinates","303734","2025-11-29","20:13:52",""
"1575692","11.0169","0.0006","21.8914","0.0012","13.9563","0.0007","90","","95.792","0.002","90","","3348.7","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 F6 N2 O4 Ti -","- C38 H28 F6 N2 O4 Ti -","- C152 H112 F24 N8 O16 Ti4 -","4","1","","Mouriki, Olympia; Passeri, Ginevra; Singh, Karampal; Lamorte, Sarah D.; Singh, Kuldip; Suntharalingam, Kogularamanan; Kilpatrick, Alexander F. R.","Anti-breast cancer stem cell activity of titanocene complexes of non-steroidal anti-inflammatory drugs.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15389","15394","10.1039/d5dt01491c","","","1.54178","CuKα","","0.0355","0.0352","","","0.0942","0.0945","","","","","","1.041","","","","has coordinates,has disorder","303734","2025-11-29","20:13:52",""
"1575693","5.1398","0.0001","9.2922","0.0002","34.4165","0.0009","90","","90","","90","","1643.73","0.06","299.06","","299.06","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O5 S -","- C18 H15 N O5 S -","- C72 H60 N4 O20 S4 -","4","1","","Naskar, Paushali; Sau, Somratan; Sahoo, Akhila K.","Asymmetric C-H hydroarylation and annulation cascade for the skeletal diversification of dihydrofuran-fused-phthalimides.","Chemical communications (Cambridge, England)","2025","61","82","16098","16101","10.1039/d5cc03717d","","x-ray","0.71073","MoKα","","0.0533","0.0397","","","0.0912","0.0994","","","","","","1.053","","","","has coordinates","303588","2025-11-29","17:58:55",""
"1575694","23.9328","0.001","7.6621","0.0003","19.9111","0.0008","90","","90","","90","","3651.2","0.3","123","2","123","2","","","","","","","","2","C m c 21","C 2c -2","36","","","","- C24 H24 -","- C24 H24 -","- C192 H192 -","8","1","","Kato, Tomoki; Imoto, Daiki; Yagi, Akiko; Itami, Kenichiro","Making non-emissive [6]cycloparaphenylene fluorescent by simple multiple methyl substitution.","Chemical science","2025","16","40","18952","18958","10.1039/d5sc04694g","","x-ray","0.71073","MoKα","","0.0418","0.0395","","","0.1055","0.107","","","","","","1.056","","","","has coordinates","303657","2025-11-29","18:36:55",""
"1575695","23.0613","0.0011","40.0796","0.0019","47.019","0.003","107.602","0.003","97.397","0.003","90.05","0.003","41043","4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C600 H180 Ag71 Au74 Cl18 F360 -","- C600 H180 Ag71 Au74 Cl18 F360 -","- C1200 H360 Ag142 Au148 Cl36 F720 -","2","1","","Gu, Yuming; Gu, Yating; Yang, Maochen; Tang, Shisi; Chen, Jiawei; Liang, Xinyi; Zheng, Dong; Li, Zekun; Song, Fengqi; Gao, Yang; Zhu, Yan; Shi, Yinghuan; Ma, Jing","High-throughput design of bimetallic materials <i>via</i> multimodal machine learning and the accessibility index.","Chemical science","2025","16","42","19644","19657","10.1039/d5sc04386g","","x-ray","1.54178","CuKα","","0.1882","0.1375","","","0.3209","0.3418","","","","","","1.478","","","","has coordinates","303632","2025-11-29","18:28:08",""
"1575696","22.774","0.003","18.278","0.003","34.488","0.004","90","","95.28","0.004","90","","14295","3","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C144 H120 Au10.03 Cl2 P8 Rh0.97 -","- C144 H120 Au10.03 Cl2 P8 Rh0.97 -","- C576 H480 Au40.12 Cl8 P32 Rh3.88 -","4","1","","Gu, Yuming; Gu, Yating; Yang, Maochen; Tang, Shisi; Chen, Jiawei; Liang, Xinyi; Zheng, Dong; Li, Zekun; Song, Fengqi; Gao, Yang; Zhu, Yan; Shi, Yinghuan; Ma, Jing","High-throughput design of bimetallic materials <i>via</i> multimodal machine learning and the accessibility index.","Chemical science","2025","16","42","19644","19657","10.1039/d5sc04386g","","","0.71073","MoKα","","0.0602","0.0415","","","0.0965","0.1044","","","","","","0.996","","","","has coordinates,has disorder","303632","2025-11-29","18:28:08",""
"1575697","9.232","0.0007","9.3771","0.0006","23.9503","0.0017","90","","90","","90","","2073.4","0.3","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 N2 O S -","- C26 H18 N2 O S -","- C104 H72 N8 O4 S4 -","4","1","","Koner, Mainak; Ballav, Nityananda; Varma, Anirudh J.; Ghosh, Suman; Mondal, Tuhin; Kuniyil, Rositha; Baidya, Mahiuddin","Multifaceted photocatalysis enables cobalt catalyzed enantioselective C-H activation and APEX reaction for C-N axially chiral molecules.","Chemical science","2025","16","41","19296","19303","10.1039/d5sc05287d","","","0.71073","MoKα","","0.0422","0.0396","","","0.1087","0.111","","","","","","1.097","","","","has coordinates","303603","2025-11-29","18:16:29",""
"1575698","6.1608","0.0015","13.731","0.003","17.545","0.004","90.119","0.008","90.084","0.01","94.565","0.009","1479.5","0.6","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","hq","","- C26 H34 B2 Br2 N6 O2 -","- C26 H34 B2 Br2 N6 O2 -","- C52 H68 B4 Br4 N12 O4 -","2","1","","Huang, Qiang; Li, Na; Zhang, Panke; Li, Hongji","Photoinduced boryl-oximation of alkenes <i>via</i> NHC-boryl radical generation.","Chemical science","2025","16","41","19263","19270","10.1039/d5sc03708e","","","0.71073","MoKα","","0.0474","0.0354","","","0.0822","0.0881","","","","","","1.024","","","","has coordinates","303605","2025-11-29","18:17:03",""
"1575699","7.124","0.0002","8.1604","0.0003","22.74","0.0006","90","","90","","90","","1321.98","0.07","300","0.1","300","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H12 Cl6 N2 Sn -","- C4 H12 Cl6 N2 Sn -","- C16 H48 Cl24 N8 Sn4 -","4","1","","Jiang, Ting; Zou, Mingjun; Wu, Yaozhen; Zhou, Jie; Yin, Xin; Guo, Wenjing; Wei, Zhenhong; Cai, Hu","A pair of chiral organic-inorganic hybrid tin compounds showing reversible phase transition and enhanced SHG properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14559","14565","10.1039/d5dt01839k","","x-ray","0.71073","MoKα","","0.0285","0.0227","","","0.0456","0.0475","","","","","","1.059","","","","has coordinates,has disorder","302690","2025-10-06","09:50:02",""
"1575700","8.2249","0.0003","7.2137","0.0002","11.5197","0.0004","90","","94.339","0.003","90","","681.53","0.04","469.99","0.1","469.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H12 Cl6 N2 Sn -","- C4 H12 Cl6 N2 Sn -","- C8 H24 Cl12 N4 Sn2 -","2","1","","Jiang, Ting; Zou, Mingjun; Wu, Yaozhen; Zhou, Jie; Yin, Xin; Guo, Wenjing; Wei, Zhenhong; Cai, Hu","A pair of chiral organic-inorganic hybrid tin compounds showing reversible phase transition and enhanced SHG properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14559","14565","10.1039/d5dt01839k","","x-ray","0.71073","MoKα","","0.0464","0.0396","","","0.1056","0.1108","","","","","","1.132","","","","has coordinates","302690","2025-10-06","09:50:03",""
"1575701","8.2181","0.0005","7.2079","0.0004","11.5107","0.0006","90","","94.45","0.005","90","","679.78","0.07","470.02","0.1","470.02","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","1","","- C4 H12 Cl6 N2 Sn -","- C4 H12 Cl6 N2 Sn -","- C8 H24 Cl12 N4 Sn2 -","2","1","","Jiang, Ting; Zou, Mingjun; Wu, Yaozhen; Zhou, Jie; Yin, Xin; Guo, Wenjing; Wei, Zhenhong; Cai, Hu","A pair of chiral organic-inorganic hybrid tin compounds showing reversible phase transition and enhanced SHG properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14559","14565","10.1039/d5dt01839k","","x-ray","0.71073","MoKα","","0.0462","0.0441","","","0.131","0.1342","","","","","","1.086","","","","has coordinates","302690","2025-10-06","09:50:03",""
"1575702","7.1196","0.0002","8.1492","0.0002","22.7386","0.0007","90","","90","","90","","1319.27","0.06","304.3","0.5","304.3","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H12 Cl6 N2 Sn -","- C4 H12 Cl6 N2 Sn -","- C16 H48 Cl24 N8 Sn4 -","4","1","","Jiang, Ting; Zou, Mingjun; Wu, Yaozhen; Zhou, Jie; Yin, Xin; Guo, Wenjing; Wei, Zhenhong; Cai, Hu","A pair of chiral organic-inorganic hybrid tin compounds showing reversible phase transition and enhanced SHG properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14559","14565","10.1039/d5dt01839k","","x-ray","0.71073","MoKα","","0.0338","0.0315","","","0.0806","0.0818","","","","","","1.084","","","","has coordinates,has disorder","302690","2025-10-06","09:50:03",""
"1575703","19.7879","0.0005","16.6941","0.0004","15.3562","0.0004","90","","119.384","0.0016","90","","4420.2","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cu2 F24 N3 O10 -","- C32 H20 Cu2 F24 N3 O10 -","- C128 H80 Cu8 F96 N12 O40 -","4","0.5","","Maryunina, Kseniya; Yamaguchi, Koyo; Inoue, Katsuya; Samsonenko, Arkady; Veber, Sergey; Smirnova, Kristina; Bogomyakov, Artem; Letyagin, Gleb; Romanenko, Galina; Morozov, Vitaly","Magnetic superexchange switching by the transformation of a trigonal bipyramid into a square pyramid in a Cu(II)-nitroxide complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15176","15187","10.1039/d5dt01274k","","","0.71073","MoKα","","0.103","0.0362","","","0.0627","0.0748","","","","","","0.776","","","","has coordinates,has disorder","303804","2025-11-29","20:58:10",""
"1575704","18.9957","0.0004","17.037","0.0004","15.4227","0.0004","90","","120.53","0.0007","90","","4299.26","0.18","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cu2 F24 N3 O9 -","- C32 H20 Cu2 F24 N3 O9 -","- C128 H80 Cu8 F96 N12 O36 -","4","0.5","","Maryunina, Kseniya; Yamaguchi, Koyo; Inoue, Katsuya; Samsonenko, Arkady; Veber, Sergey; Smirnova, Kristina; Bogomyakov, Artem; Letyagin, Gleb; Romanenko, Galina; Morozov, Vitaly","Magnetic superexchange switching by the transformation of a trigonal bipyramid into a square pyramid in a Cu(II)-nitroxide complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15176","15187","10.1039/d5dt01274k","","","1.54178","CuKα","","0.0494","0.049","","","0.1267","0.1269","","","","","","1.147","","","","has coordinates,has disorder","303804","2025-11-29","20:58:12",""
"1575705","19.1815","0.0004","16.9784","0.0003","15.3474","0.0003","90","","120.066","0.001","90","","4325.69","0.15","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cu2 F24 N3 O9 -","- C32 H20 Cu2 F24 N3 O9 -","- C128 H80 Cu8 F96 N12 O36 -","4","0.5","","Maryunina, Kseniya; Yamaguchi, Koyo; Inoue, Katsuya; Samsonenko, Arkady; Veber, Sergey; Smirnova, Kristina; Bogomyakov, Artem; Letyagin, Gleb; Romanenko, Galina; Morozov, Vitaly","Magnetic superexchange switching by the transformation of a trigonal bipyramid into a square pyramid in a Cu(II)-nitroxide complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15176","15187","10.1039/d5dt01274k","","","1.54178","CuKα","","0.0502","0.0495","","","0.1225","0.123","","","","","","1.06","","","","has coordinates,has disorder","303804","2025-11-29","20:58:12",""
"1575706","19.043","0.002","16.793","0.002","15.884","0.003","90","","122.61","0.014","90","","4278.8","1.2","98","2","98","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cu2 F24 N3 O9 -","- C32 H20 Cu2 F24 N3 O9 -","- C128 H80 Cu8 F96 N12 O36 -","4","0.5","","Maryunina, Kseniya; Yamaguchi, Koyo; Inoue, Katsuya; Samsonenko, Arkady; Veber, Sergey; Smirnova, Kristina; Bogomyakov, Artem; Letyagin, Gleb; Romanenko, Galina; Morozov, Vitaly","Magnetic superexchange switching by the transformation of a trigonal bipyramid into a square pyramid in a Cu(II)-nitroxide complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15176","15187","10.1039/d5dt01274k","","","0.71073","MoKα","","0.2134","0.1383","","","0.3772","0.421","","","","","","1.036","","","","has coordinates,has disorder","303804","2025-11-29","20:58:12",""
"1575707","19.007","0.002","16.733","0.002","15.1788","0.0018","90","","119.646","0.007","90","","4195.6","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cu2 F24 N3 O10 -","- C32 H20 Cu2 F24 N3 O10 -","- C128 H80 Cu8 F96 N12 O40 -","4","0.5","","Maryunina, Kseniya; Yamaguchi, Koyo; Inoue, Katsuya; Samsonenko, Arkady; Veber, Sergey; Smirnova, Kristina; Bogomyakov, Artem; Letyagin, Gleb; Romanenko, Galina; Morozov, Vitaly","Magnetic superexchange switching by the transformation of a trigonal bipyramid into a square pyramid in a Cu(II)-nitroxide complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15176","15187","10.1039/d5dt01274k","","","0.71073","MoKα","","0.1155","0.0484","","","0.1013","0.125","","","","","","0.766","","","","has coordinates,has disorder","303804","2025-11-29","20:58:12",""
"1575708","18.9168","0.0014","17.0188","0.0014","15.4769","0.0012","90","","120.661","0.004","90","","4286.1","0.6","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cu2 F24 N3 O9 -","- C32 H20 Cu2 F24 N3 O9 -","- C128 H80 Cu8 F96 N12 O36 -","4","0.5","","Maryunina, Kseniya; Yamaguchi, Koyo; Inoue, Katsuya; Samsonenko, Arkady; Veber, Sergey; Smirnova, Kristina; Bogomyakov, Artem; Letyagin, Gleb; Romanenko, Galina; Morozov, Vitaly","Magnetic superexchange switching by the transformation of a trigonal bipyramid into a square pyramid in a Cu(II)-nitroxide complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15176","15187","10.1039/d5dt01274k","","","0.71073","MoKα","","0.0765","0.0436","","","0.0974","0.1097","","","","","","0.818","","","","has coordinates,has disorder","303804","2025-11-29","20:58:12",""
"1575709","19.6218","0.0005","16.8892","0.0004","15.401","0.0004","90","","119.583","0.001","90","","4438.5","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cu2 F24 N3 O9 -","- C32 H20 Cu2 F24 N3 O9 -","- C128 H80 Cu8 F96 N12 O36 -","4","0.5","","Maryunina, Kseniya; Yamaguchi, Koyo; Inoue, Katsuya; Samsonenko, Arkady; Veber, Sergey; Smirnova, Kristina; Bogomyakov, Artem; Letyagin, Gleb; Romanenko, Galina; Morozov, Vitaly","Magnetic superexchange switching by the transformation of a trigonal bipyramid into a square pyramid in a Cu(II)-nitroxide complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15176","15187","10.1039/d5dt01274k","","","0.71073","MoKα","","0.1315","0.0622","","","0.1845","0.2126","","","","","","0.923","","","","has coordinates,has disorder","303804","2025-11-29","20:58:12",""
"1575710","6.736","0.0006","8.2286","0.0008","11.389","0.0011","90","","90","","90","","631.27","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 O3 -","- C7 H6 O3 -","- C28 H24 O12 -","4","1","","Katkar, Ashwini Vishwasrao; Charpe, Vaibhav Pramod; Hwang, Kuo Chu","Synthesis of hydroxyl functionalized aryl/alkyl ketones via visible-light-driven cross-coupling of benzoquinones and alcohols at room temperature","Catalysis Science & Technology","2025","15","20","5980","5985","10.1039/D5CY00925A","","","0.71073","MoKα","","0.0293","0.0277","","","0.0746","0.0757","","","","","","1.091","","","","has coordinates","303504","2025-11-29","17:11:18",""
"1575711","9.3362","0.0003","8.1868","0.0002","17.6318","0.0004","90","","100.416","0.003","90","","1325.45","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","1","","Katkar, Ashwini Vishwasrao; Charpe, Vaibhav Pramod; Hwang, Kuo Chu","Synthesis of hydroxyl functionalized aryl/alkyl ketones via visible-light-driven cross-coupling of benzoquinones and alcohols at room temperature","Catalysis Science & Technology","2025","15","20","5980","5985","10.1039/D5CY00925A","","x-ray","1.54184","CuKα","","0.0394","0.0342","","","0.09","0.094","","","","","","1.052","","","","has coordinates","303504","2025-11-29","17:11:19",""
"1575712","4.4623","0.00007","11.6506","0.0002","19.6409","0.0003","90","","90","","90","","1021.1","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F O3 -","- C13 H9 F O3 -","- C52 H36 F4 O12 -","4","1","","Katkar, Ashwini Vishwasrao; Charpe, Vaibhav Pramod; Hwang, Kuo Chu","Synthesis of hydroxyl functionalized aryl/alkyl ketones via visible-light-driven cross-coupling of benzoquinones and alcohols at room temperature","Catalysis Science & Technology","2025","15","20","5980","5985","10.1039/D5CY00925A","","x-ray","1.54184","CuKα","","0.0229","0.0226","","","0.0595","0.0597","","","","","","1.057","","","","has coordinates","303504","2025-11-29","17:11:19",""
"1575713","12.8443","0.0004","10.8782","0.0003","8.8986","0.0003","90","","90","","90","","1243.34","0.07","99.99","0.1","99.99","0.1","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C8 H7 O -","- C8 H6.75 O -","- C64 H54 O8 -","8","1","","Katkar, Ashwini Vishwasrao; Charpe, Vaibhav Pramod; Hwang, Kuo Chu","Synthesis of hydroxyl functionalized aryl/alkyl ketones via visible-light-driven cross-coupling of benzoquinones and alcohols at room temperature","Catalysis Science & Technology","2025","15","20","5980","5985","10.1039/D5CY00925A","","x-ray","1.54184","CuKα","","0.0317","0.0304","","","0.0771","0.078","","","","","","1.077","","","","has coordinates,has disorder","303504","2025-11-29","17:11:19",""
"1575714","7.82007","0.00019","23.6447","0.0006","12.4839","0.0003","90","","107.187","0.003","90","","2205.24","0.1","99.98","0.1","99.98","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C112 H96 O24 -","8","2","","Katkar, Ashwini Vishwasrao; Charpe, Vaibhav Pramod; Hwang, Kuo Chu","Synthesis of hydroxyl functionalized aryl/alkyl ketones via visible-light-driven cross-coupling of benzoquinones and alcohols at room temperature","Catalysis Science & Technology","2025","15","20","5980","5985","10.1039/D5CY00925A","","x-ray","1.54184","CuKα","","0.0455","0.0385","","","0.1011","0.1059","","","","","","1.058","","","","has coordinates","303504","2025-11-29","17:11:19",""
"1575715","12.6342","0.0008","10.2128","0.0005","15.7401","0.001","90","","108.483","0.002","90","","1926.2","0.2","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 F2 N2 O2 -","- C21 H20 F2 N2 O2 -","- C84 H80 F8 N8 O8 -","4","1","","Chen, Zhen; Lan, Jin-Xin; Zhang, Shu-Peng; Lu, Shuai-Xiao; Zhang, Yicheng; Yang, Wen-Chao","An EDA complex-driven multicomponent reaction of Br-R<sub>f</sub> with alkenes <i>via</i> radical-polar crossover.","Chemical communications (Cambridge, England)","2025","61","83","16286","16289","10.1039/d5cc03971a","","","0.71073","MoKα","","0.0734","0.0515","","","0.1139","0.1288","","","","","","1.059","","","","has coordinates,has disorder","303521","2025-11-29","17:36:56",""
"1575716","10.9189","0.0004","11.144","0.0003","14.1536","0.0005","90","","105.594","0.004","90","","1658.82","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 B10 S -","- C14 H18 B10 S -","- C56 H72 B40 S4 -","4","1","","Marsh, Adam V.; White, Andrew J. P.; Heeney, Martin","The photoluminescence behaviour of monosubstituted non-benzenoid polycyclic-aromatic-substituted <i>ortho</i>-carboranes.","Chemical communications (Cambridge, England)","2025","61","83","16222","16225","10.1039/d5cc02672e","","","0.71073","MoKα","","0.0521","0.0429","","","0.1131","0.1209","","","","","","1.062","","","","has coordinates,has disorder","303520","2025-11-29","17:36:45",""
"1575717","7.0366","0.0002","9.8201","0.0004","23.1446","0.0009","90","","96.026","0.003","90","","1590.46","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 B10 S2 -","- C12 H16 B10 S2 -","- C48 H64 B40 S8 -","4","1","","Marsh, Adam V.; White, Andrew J. P.; Heeney, Martin","The photoluminescence behaviour of monosubstituted non-benzenoid polycyclic-aromatic-substituted <i>ortho</i>-carboranes.","Chemical communications (Cambridge, England)","2025","61","83","16222","16225","10.1039/d5cc02672e","","","1.54184","CuKα","","0.0745","0.0545","","","0.1363","0.1505","","","","","","1.068","","","","has coordinates,has disorder","303520","2025-11-29","17:36:45",""
"1575718","11.7283","0.0009","7.7153","0.0006","31.448","0.002","90","","90","","90","","2845.6","0.4","200.41","","200.41","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H14 O2 -","- C19 H14 O2 -","- C152 H112 O16 -","8","1","","Mori, Alessia; Premoli, Lucia; Oble, Julie; Petit, Marc","Complementary pathways in C-H functionalization of furfural derivatives with cobalt-hydride catalysis.","Chemical communications (Cambridge, England)","2025","61","84","16464","16467","10.1039/d5cc03163j","","","1.54178","CuKα","","0.0549","0.0384","","","0.086","0.0946","","","","","","1.032","","","","has coordinates","303572","2025-11-29","17:54:08",""
"1575719","10.0034","0.0002","12.4144","0.0003","15.9012","0.0003","92.556","0.001","92.311","0.001","90.2","0.001","1971.11","0.07","303","2","303","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 F6 N4 O6 -","- C36 H46 F6 N4 O6 -","- C72 H92 F12 N8 O12 -","2","1","","Wan, Qinhui; Wu, Xia-Die; Xu, Fei-Fei; Hou, Zhong-Wei; Wang, Lei","Photoelectrocatalytic XAT strategy for the generation of alkyl radicals to synthesize alkylated 3-CF<sub>3</sub>-2-oxindoles.","Chemical communications (Cambridge, England)","2025","61","83","16270","16273","10.1039/d5cc03812j","","","1.54178","CuKα","","0.0756","0.0592","","","0.1795","0.1895","","","","","","1.059","","","","has coordinates","303519","2025-11-29","17:36:34",""
"1575720","28.669","0.0014","7.6686","0.0004","24.2067","0.001","90","","114.842","0.002","90","","4829.4","0.4","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H37 B11 N2 O -","- C16 H37 B11 N2 O -","- C128 H296 B88 N16 O8 -","8","2","","Jin, Yujie; Chen, Lianyu; Jiang, Chennuo; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon","Microwave-assisted Pd-catalyzed B-N cross-coupling for efficient functionalization of the carbaborate [CB<sub>11</sub>H<sub>12</sub>]<sup/>.","Chemical communications (Cambridge, England)","2025","61","83","16262","16265","10.1039/d5cc04753f","","","0.71073","MoKα","","0.0716","0.0615","","","0.1557","0.1636","","","","","","1.071","","","","has coordinates","303522","2025-11-29","17:37:13",""
"1575721","13.018","0.004","14.127","0.004","26.513","0.008","90","","90","","90","","4876","3","170","","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H38 B11 N3 O -","- C16 H38 B11 N3 O -","- C128 H304 B88 N24 O8 -","8","1","","Jin, Yujie; Chen, Lianyu; Jiang, Chennuo; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon","Microwave-assisted Pd-catalyzed B-N cross-coupling for efficient functionalization of the carbaborate [CB<sub>11</sub>H<sub>12</sub>]<sup/>.","Chemical communications (Cambridge, England)","2025","61","83","16262","16265","10.1039/d5cc04753f","","","1.34139","GaKα","","0.0991","0.0666","","","0.187","0.2144","","","","","","1.084","","","","has coordinates","303522","2025-11-29","17:37:13",""
"1575722","10.6892","0.0007","16.9696","0.0011","25.4052","0.0018","90","","90","","90","","4608.3","0.5","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H37 B11 N2 -","- C15 H37 B11 N2 -","- C120 H296 B88 N16 -","8","1","","Jin, Yujie; Chen, Lianyu; Jiang, Chennuo; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon","Microwave-assisted Pd-catalyzed B-N cross-coupling for efficient functionalization of the carbaborate [CB<sub>11</sub>H<sub>12</sub>]<sup/>.","Chemical communications (Cambridge, England)","2025","61","83","16262","16265","10.1039/d5cc04753f","","","1.34139","GaKα","","0.094","0.067","","","0.1785","0.2012","","","","","","1.056","","","","has coordinates","303522","2025-11-29","17:37:13",""
"1575723","9.8245","0.0004","32.4522","0.001","16.2721","0.0006","90","","90","","90","","5188","0.3","170","2","170","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C42 H76 B22 N4 -","- C42 H76 B22 N4 -","- C168 H304 B88 N16 -","4","0.5","","Jin, Yujie; Chen, Lianyu; Jiang, Chennuo; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon","Microwave-assisted Pd-catalyzed B-N cross-coupling for efficient functionalization of the carbaborate [CB<sub>11</sub>H<sub>12</sub>]<sup/>.","Chemical communications (Cambridge, England)","2025","61","83","16262","16265","10.1039/d5cc04753f","","","0.71073","MoKα","","0.1008","0.0798","","","0.2469","0.2724","","","","","","1.046","","","","has coordinates","303522","2025-11-29","17:37:13",""
"1575724","15.6274","0.0004","11.9127","0.0002","22.8375","0.0006","90","","108.83","0.003","90","","4023.99","0.18","293","2","293.2","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H51 Cl O4 -","- C48 H51 Cl O4 -","- C192 H204 Cl4 O16 -","4","2","","Goudarzi, Mehri; Alagiyawanna, Anuruddha; Serafino, Andrea; Rizzato, Silvia; Bertocchi, Francesco; Terenziani, Francesca; Santoro, Stefano; Qin, Wenling; Cera, Gianpiero; Pirovano, Valentina","Enantioselective gold(I)-catalysed alkyne hydroarylations for inherently chiral calix[4]arenes.","Chemical communications (Cambridge, England)","2025","61","84","16380","16383","10.1039/d5cc04405g","","x-ray","1.54184","CuKα","","0.073","0.0614","","","0.1661","0.1757","","","","","","1.031","","","","has coordinates,has disorder","303573","2025-11-29","17:54:22",""
"1575725","9.349","0.0001","9.5621","0.0001","44.4373","0.0005","90","","90","","90","","3972.52","0.07","293","2","293.2","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H51 Cl O4 -","- C48 H51 Cl O4 -","- C192 H204 Cl4 O16 -","4","1","","Goudarzi, Mehri; Alagiyawanna, Anuruddha; Serafino, Andrea; Rizzato, Silvia; Bertocchi, Francesco; Terenziani, Francesca; Santoro, Stefano; Qin, Wenling; Cera, Gianpiero; Pirovano, Valentina","Enantioselective gold(I)-catalysed alkyne hydroarylations for inherently chiral calix[4]arenes.","Chemical communications (Cambridge, England)","2025","61","84","16380","16383","10.1039/d5cc04405g","","x-ray","1.54184","CuKα","","0.0518","0.0502","","","0.1151","0.116","","","","","","1.072","","","","has coordinates","303573","2025-11-29","17:54:22",""
"1575726","7.6538","0.0003","8.5766","0.0004","9.757","0.0004","107.303","0.002","93.087","0.002","110.668","0.002","563.03","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 N2 O4 Re -","- C10 H9 N2 O4 Re -","- C20 H18 N4 O8 Re2 -","2","1","","Semyonov, Oleg; Antonkin, Nikita S.; Radzhabov, Amirbek D.; Pizzi, Andrea; Lo Iacono, Cristina; Guselnikova, Olga; Burguera, Sergi; Frontera, Antonio; Resnati, Giuseppe; Postnikov, Pavel S.","Matere bond identification in non-crystalline materials by using X-ray photoelectron spectroscopy.","Chemical science","2025","16","40","18928","18935","10.1039/d5sc04587h","","","0.71073","MoKα","","0.0224","0.0203","","","0.0511","0.0522","","","","","","1.062","","","","has coordinates","303653","2025-11-29","18:35:37",""
"1575727","12.9973","0.0014","14.0051","0.0016","4.881","0.0005","90","","90","","90","","888.48","0.17","296","2","296","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C13 H16 N2 O8 Re2 -","- C13 H16 N2 O8 Re2 -","- C26 H32 N4 O16 Re4 -","2","0.25","","Semyonov, Oleg; Antonkin, Nikita S.; Radzhabov, Amirbek D.; Pizzi, Andrea; Lo Iacono, Cristina; Guselnikova, Olga; Burguera, Sergi; Frontera, Antonio; Resnati, Giuseppe; Postnikov, Pavel S.","Matere bond identification in non-crystalline materials by using X-ray photoelectron spectroscopy.","Chemical science","2025","16","40","18928","18935","10.1039/d5sc04587h","","","0.71073","MoKα","","0.0438","0.034","","","0.0918","0.101","","","","","","1.012","","","","has coordinates","303653","2025-11-29","18:35:50",""
"1575728","5.3101","0.0013","8.97","0.002","19.831","0.005","90","","91.42","0.01","90","","944.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 I N O4 Re -","- C5 H5 I N O4 Re -","- C20 H20 I4 N4 O16 Re4 -","4","1","","Semyonov, Oleg; Antonkin, Nikita S.; Radzhabov, Amirbek D.; Pizzi, Andrea; Lo Iacono, Cristina; Guselnikova, Olga; Burguera, Sergi; Frontera, Antonio; Resnati, Giuseppe; Postnikov, Pavel S.","Matere bond identification in non-crystalline materials by using X-ray photoelectron spectroscopy.","Chemical science","2025","16","40","18928","18935","10.1039/d5sc04587h","","","0.71073","MoKα","","0.0479","0.0261","","","0.0717","0.108","","","","","","1.024","","","","has coordinates","303653","2025-11-29","18:35:50",""
"1575729","7.8636","0.001","7.4532","0.001","26.182","0.003","90","","90","","90","","1534.5","0.3","173","","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H12 N2 O4 Se2 -","- C14 H12 N2 O4 Se2 -","- C56 H48 N8 O16 Se8 -","4","0.5","","Roy, Biswajit; Das, Eshani; Shieh, Meg; Ogata, Seiryo; Jung, Minkyung; Fujita, Hiroaki; Zhang, Sen; Robinson, Jerome R.; Akaike, Takaaki; Xian, Ming","Light responsive hydrogen selenide (H<sub>2</sub>Se)/hydrogen diselenide (H<sub>2</sub>Se<sub>2</sub>) donors: applied for protein <i>S</i>-selenylation on PRDX6.","Chemical science","2025","16","41","19178","19186","10.1039/d5sc05141j","","","0.71073","MoKα","","0.0671","0.0585","","","0.1481","0.1522","","","","","","1.286","","","","has coordinates","303608","2025-11-29","18:18:15",""
"1575730","23.838","0.004","4.4908","0.0007","13.269","0.002","90","","90","","90","","1420.5","0.4","173","","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H12 N2 O4 Se -","- C14 H12 N2 O4 Se -","- C56 H48 N8 O16 Se4 -","4","1","","Roy, Biswajit; Das, Eshani; Shieh, Meg; Ogata, Seiryo; Jung, Minkyung; Fujita, Hiroaki; Zhang, Sen; Robinson, Jerome R.; Akaike, Takaaki; Xian, Ming","Light responsive hydrogen selenide (H<sub>2</sub>Se)/hydrogen diselenide (H<sub>2</sub>Se<sub>2</sub>) donors: applied for protein <i>S</i>-selenylation on PRDX6.","Chemical science","2025","16","41","19178","19186","10.1039/d5sc05141j","","","0.71073","MoKα","","0.0369","0.0299","","","0.0684","0.0714","","","","","","1.081","","","","has coordinates,has disorder","303608","2025-11-29","18:18:17",""
"1575731","28.028","0.005","6.0222","0.0012","15.257","0.003","90","","107.449","0.006","90","","2456.7","0.8","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 O4 Se -","- C30 H30 O4 Se -","- C120 H120 O16 Se4 -","4","0.5","","Roy, Biswajit; Das, Eshani; Shieh, Meg; Ogata, Seiryo; Jung, Minkyung; Fujita, Hiroaki; Zhang, Sen; Robinson, Jerome R.; Akaike, Takaaki; Xian, Ming","Light responsive hydrogen selenide (H<sub>2</sub>Se)/hydrogen diselenide (H<sub>2</sub>Se<sub>2</sub>) donors: applied for protein <i>S</i>-selenylation on PRDX6.","Chemical science","2025","16","41","19178","19186","10.1039/d5sc05141j","","","0.71073","MoKα","","0.0942","0.0883","","","0.2316","0.2341","","","","","","1.267","","","","has coordinates","303608","2025-11-29","18:18:28",""
"1575732","16.8219","0.0015","31.443","0.003","33.812","0.003","90","","98.172","0.002","90","","17703","3","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Au10(DPPF)4PPh3","","- C162 H143 Au10 Cl17 Fe4 P9 -","- C155 H129 Au10 Cl3 Fe4 P9 -","- C620 H516 Au40 Cl12 Fe16 P36 -","4","1","","Li, Guangjun; Li, Guoao; Liang, Xinyi; Tian, Yiqi; Lu, Jinzhi; Xu, Xinyi; Liu, Xu; Ma, Jing; Li, Shuhua; Zhu, Yan","An atomically precise Au<sub>10</sub>(DPPF)<sub>4</sub>PPh<sub>3</sub> cluster catalyst for N-hydroformylation of amines.","Chemical science","2025","16","40","18642","18651","10.1039/d5sc06255a","","","0.71073","MoKα","","0.0963","0.0621","","","0.1354","0.1526","","","","","","1.03","","","","has coordinates","303654","2025-11-29","18:36:07",""
"1575733","9.3425","0.0001","12.0825","0.0002","12.1874","0.0002","109.651","0.001","99.347","0.001","100.868","0.001","1233.85","0.03","297.12","0.1","297.12","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C52.67 H45 Cu2 I2 N2 O0.67 P2 -","- C52.6666 H44.6664 Cu2 I2 N2 O0.6666 P2 -","- C52.6666 H44.6664 Cu2 I2 N2 O0.6666 P2 -","1","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Chen, Wan-Tao; Ye, Jia-Wen; Chen, Ling","Tailoring luminescent oxygen sensitivity <i>via</i> structural design and its application in pressure-induced emission enhancement.","Chemical science","2025","16","40","18799","18805","10.1039/d5sc05999b","","x-ray","1.54184","CuKα","","0.0319","0.0308","","","0.0836","0.0845","","","","","","1.078","","","","has coordinates","303655","2025-11-29","18:36:19",""
"1575734","9.2949","0.0003","11.8875","0.0005","11.9565","0.0004","108.23","0.003","100.23","0.003","100.811","0.003","1192.35","0.08","296.93","0.1","296.93","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H42 Br2 Cu2 N2 P2 -","- C52 H42 Br2 Cu2 N2 P2 -","- C52 H42 Br2 Cu2 N2 P2 -","1","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Chen, Wan-Tao; Ye, Jia-Wen; Chen, Ling","Tailoring luminescent oxygen sensitivity <i>via</i> structural design and its application in pressure-induced emission enhancement.","Chemical science","2025","16","40","18799","18805","10.1039/d5sc05999b","","x-ray","1.54184","CuKα","","0.0358","0.033","","","0.0955","0.0973","","","","","","1.052","","","","has coordinates","303655","2025-11-29","18:36:19",""
"1575735","9.2912","0.0002","11.7601","0.0002","11.7999","0.0002","107.136","0.002","100.739","0.001","100.697","0.002","1170.11","0.04","297.38","0.1","297.38","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H42 Cl2 Cu2 N2 P2 -","- C52 H42 Cl2 Cu2 N2 P2 -","- C52 H42 Cl2 Cu2 N2 P2 -","1","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Chen, Wan-Tao; Ye, Jia-Wen; Chen, Ling","Tailoring luminescent oxygen sensitivity <i>via</i> structural design and its application in pressure-induced emission enhancement.","Chemical science","2025","16","40","18799","18805","10.1039/d5sc05999b","","x-ray","1.54184","CuKα","","0.0335","0.0324","","","0.0992","0.1003","","","","","","1.059","","","","has coordinates","303655","2025-11-29","18:36:19",""
"1575736","9.3779","0.0001","12.037","0.0002","12.1052","0.0002","108.854","0.002","99.325","0.001","101.378","0.001","1229.61","0.04","293.8","0.2","293.8","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H42 Cu2 I2 N2 P2 -","- C52 H42 Cu2 I2 N2 P2 -","- C52 H42 Cu2 I2 N2 P2 -","1","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Chen, Wan-Tao; Ye, Jia-Wen; Chen, Ling","Tailoring luminescent oxygen sensitivity <i>via</i> structural design and its application in pressure-induced emission enhancement.","Chemical science","2025","16","40","18799","18805","10.1039/d5sc05999b","","x-ray","1.54184","CuKα","","0.0245","0.0218","","","0.0499","0.0508","","","","","","1.04","","","","has coordinates","303655","2025-11-29","18:36:19",""
"1575737","9.2424","0.0001","11.8969","0.0002","11.9954","0.0002","108.728","0.001","100.85","0.001","100.625","0.001","1183.54","0.03","296.9","0.2","296.9","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C52.67 H44.67 Cl2 Cu2 N2 O0.67 P2 -","- C52.6666 H44.6664 Cl2 Cu2 N2 O0.6666 P2 -","- C52.6666 H44.6664 Cl2 Cu2 N2 O0.6666 P2 -","1","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Chen, Wan-Tao; Ye, Jia-Wen; Chen, Ling","Tailoring luminescent oxygen sensitivity <i>via</i> structural design and its application in pressure-induced emission enhancement.","Chemical science","2025","16","40","18799","18805","10.1039/d5sc05999b","","x-ray","1.54184","CuKα","","0.0384","0.0356","","","0.1099","0.1128","","","","","","1.086","","","","has coordinates","303655","2025-11-29","18:36:19",""
"1575738","9.2653","0.0003","12.0008","0.0004","12.0094","0.0004","109.053","0.003","100.228","0.003","100.638","0.003","1199.15","0.08","294.5","0.3","294.5","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C52.67 H44.67 Br2 Cu2 N2 O0.67 P2 -","- C52.6666 H44.6664 Br2 Cu2 N2 O0.6666 P2 -","- C52.6666 H44.6664 Br2 Cu2 N2 O0.6666 P2 -","1","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Chen, Wan-Tao; Ye, Jia-Wen; Chen, Ling","Tailoring luminescent oxygen sensitivity <i>via</i> structural design and its application in pressure-induced emission enhancement.","Chemical science","2025","16","40","18799","18805","10.1039/d5sc05999b","","x-ray","1.54184","CuKα","","0.035","0.0312","","","0.0929","0.0961","","","","","","1.035","","","","has coordinates","303655","2025-11-29","18:36:19",""
"1575739","10.87","0.003","8.037","0.003","14.993","0.004","90","","104.871","0.01","90","","1266","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 Cl Ir N4 O P2 -","- C21 H38 Cl Ir N4 O P2 -","- C42 H76 Cl2 Ir2 N8 O2 P4 -","2","0.5","","Abdolrahimi, Amin; Woite, Philipp; Kretschmar, Konrad; Roemelt, Michael; Braun, Thomas; He, Ouchan","Sequential one-pot <i>N</i>-alkylation and aminocarbonylation of primary amines catalyzed by heterobimetallic Ir/Pd complexes.","Chemical science","2025","16","41","19414","19422","10.1039/d5sc03892h","","","0.71073","MoKα","","0.0131","0.0125","","","0.0307","0.031","","","","","","1.101","","","","has coordinates,has disorder","303610","2025-11-29","18:19:00",""
"1575740","8.7278","0.0008","10.1403","0.0008","20.1959","0.0017","104.039","0.003","92.766","0.003","92.412","0.003","1729.3","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C23 H46 Cl3 Ir N4 O3 P2 Pd S2 -","- C23 H46 Cl3 Ir N4 O3 P2 Pd S2 -","- C46 H92 Cl6 Ir2 N8 O6 P4 Pd2 S4 -","2","1","","Abdolrahimi, Amin; Woite, Philipp; Kretschmar, Konrad; Roemelt, Michael; Braun, Thomas; He, Ouchan","Sequential one-pot <i>N</i>-alkylation and aminocarbonylation of primary amines catalyzed by heterobimetallic Ir/Pd complexes.","Chemical science","2025","16","41","19414","19422","10.1039/d5sc03892h","","","0.71073","MoKα","","0.0172","0.0165","","","0.0408","0.0412","","","","","","1.054","","","","has coordinates,has disorder","303610","2025-11-29","18:19:01",""
"1575741","17.4799","0.0009","16.3925","0.0009","21.6284","0.0013","90","","90","","90","","6197.4","0.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34.93 H30 Cl1.07 Ir N2 O0.93 P2 -","- C34.933 H30 Cl1.067 Ir N2 O0.933 P2 -","- C279.464 H240 Cl8.536 Ir8 N16 O7.464 P16 -","8","1","","Abdolrahimi, Amin; Woite, Philipp; Kretschmar, Konrad; Roemelt, Michael; Braun, Thomas; He, Ouchan","Sequential one-pot <i>N</i>-alkylation and aminocarbonylation of primary amines catalyzed by heterobimetallic Ir/Pd complexes.","Chemical science","2025","16","41","19414","19422","10.1039/d5sc03892h","","","0.71073","MoKα","","0.051","0.0316","","","0.0657","0.0756","","","","","","1.028","","","","has coordinates,has disorder","303610","2025-11-29","18:19:02",""
"1575742","12.3629","0.0005","16.5072","0.0007","28.5794","0.0017","85.914","0.004","85.67","0.004","74.715","0.004","5602","0.5","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","p-sulfonatocalix[6]arene / pentamidine / methanol host-guest complex","","","- C101 H132.56 N12 O40.28 S6 -","- C101 H115.737 N12 O40.277 S6 -","- C202 H231.474 N24 O80.554 S12 -","2","1","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.1725","0.1165","","","0.3104","0.35","","","","","","1.069","","","","has coordinates,has disorder","303703","2025-11-29","19:14:52",""
"1575743","25.024","0.003","13.519","0.002","24.37","0.004","90","","108.954","0.017","90","","7797","2","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","p-sulfonatocalix[4]arene / pentamidine / acetone host-guest complex","","","- C72 H96 N8 O28 S4 -","- C72 H84 N8 O28 S4 -","- C288 H336 N32 O112 S16 -","4","0.5","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.1574","0.1234","","","0.3545","0.3988","","","","","","1.116","","","","has coordinates,has disorder","303703","2025-11-29","19:14:53",""
"1575744","34.1908","0.0018","41.4283","0.0012","46.991","0.0018","90","","95.325","0.005","90","","66274","5","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","p-sulfonato-calix[8]arene/ pentamidine / isopropanol host-guest complex","","","- C270 H412 N32 O136 S16 -","- C270 H304 N32 O83 S16 -","- C2160 H2432 N256 O664 S128 -","8","1","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.2894","0.1193","","","0.2802","0.4152","","","","","","0.919","","","","has coordinates,has disorder","303703","2025-11-29","19:14:53",""
"1575745","23.6106","0.0001","30.3731","0.0002","31.5092","0.0002","90","","91.424","0.001","90","","22589.1","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-sulfonatocalix[4]arene / pentamidine / isopropanol host-guest complex","","","- C216 H286 N24 O77 S12 -","- C216 H282 N24 O77 S12 -","- C864 H1128 N96 O308 S48 -","4","1","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.0749","0.0601","","","0.162","0.1735","","","","","","1.027","","","","has coordinates","303703","2025-11-29","19:14:53",""
"1575746","34.1908","0.0018","41.4283","0.0012","46.991","0.0018","90","","95.325","0.005","90","","66274","5","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","p-sulfonato-calix[8]arene/ pentamidine / isopropanol host-guest complex","","","- C270 H380.48 N32 O120.24 S16 -","- C270 H304 N32 O119.972 S16 -","- C2160 H2432 N256 O959.776 S128 -","8","1","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.323","0.1333","","","0.3328","0.496","","","","","","0.931","","","","has coordinates,has disorder","303703","2025-11-29","19:14:53",""
"1575747","33.9061","0.0005","41.7359","0.0005","46.4819","0.0007","90","","94.332","0.002","90","","65588.7","1.6","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","p-sulfonato-calix[8]arene/ pentamidine / ethanol host-guest complex","","","- C269 H376.42 N32 O119.22 S16 -","- C269 H303 N32 O119.214 S16 -","- C2152 H2424 N256 O953.712 S128 -","8","1","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.1914","0.1269","","","0.3247","0.3935","","","","","","1.182","","","","has coordinates,has disorder","303703","2025-11-29","19:14:53",""
"1575748","33.9061","0.0005","41.7359","0.0005","46.4819","0.0007","90","","94.332","0.002","90","","65588.7","1.6","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","p-sulfonato-calix[8]arene/ pentamidine / ethanol host-guest complex","","","- C268 H396.58 N32 O130.29 S16 -","- C268 H300 N32 O84.939 S16 -","- C2144 H2400 N256 O679.512 S128 -","8","1","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.1742","0.1141","","","0.3092","0.3796","","","","","","1.138","","","","has coordinates,has disorder","303703","2025-11-29","19:14:53",""
"1575749","10.873","0.009","9.425","0.007","34.44","0.03","90","","90.06","0.02","90","","3529","5","298","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C66 H58 Cd2 N9 O18 P3 -","- C66 H51 Cd2 N9 O18 P3 -","- C132 H102 Cd4 N18 O36 P6 -","2","1","","Özcan, Elif; Zorlu, Yunus","Bipyridine-functionalized Cd(ii) coordination frameworks based on robust cyclophosphazenes: structural engineering toward enhanced photocatalytic activity","CrystEngComm","2025","27","42","6913","6925","10.1039/D5CE00433K","","x-ray","0.71073","MoKα","","0.0875","0.0681","","","0.1489","0.1639","","","","","","1.031","","","","has coordinates,has disorder","303691","2025-11-29","19:10:08",""
"1575750","19.246","0.003","15.706","0.002","19.572","0.003","90","","90.189","0.002","90","","5916.1","1.5","173","","173","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H44 N3 O22 P3 -","- C52 H44 N3 O22 P3 -","- C208 H176 N12 O88 P12 -","4","1","","Özcan, Elif; Zorlu, Yunus","Bipyridine-functionalized Cd(ii) coordination frameworks based on robust cyclophosphazenes: structural engineering toward enhanced photocatalytic activity","CrystEngComm","2025","27","42","6913","6925","10.1039/D5CE00433K","","","0.71073","MoKα","","0.0676","0.0527","","","0.1212","0.1276","","","","","","0.953","","","","has coordinates","303691","2025-11-29","19:10:08",""
"1575751","12.229","0.008","17.228","0.011","19.403","0.012","75.499","0.011","78.521","0.012","84.495","0.013","3874","4","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H71 Cd2 N10 O20 P3 -","- C68 H50 Cd2 N7 O17 P3 -","- C136 H100 Cd4 N14 O34 P6 -","2","1","","Özcan, Elif; Zorlu, Yunus","Bipyridine-functionalized Cd(ii) coordination frameworks based on robust cyclophosphazenes: structural engineering toward enhanced photocatalytic activity","CrystEngComm","2025","27","42","6913","6925","10.1039/D5CE00433K","","x-ray","0.71073","MoKα","","0.1254","0.0722","","","0.1607","0.1777","","","","","","0.988","","","","has coordinates","303691","2025-11-29","19:10:08",""
"1575752","12.6939","0.0003","13.0267","0.0003","18.5039","0.0005","84.192","0.001","76.836","0.001","61.861","0.001","2627.18","0.12","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H74 Cl2 N4 O2 -","- C51 H74 Cl2 N4 O2 -","- C102 H148 Cl4 N8 O4 -","2","1","","Juma, David O.; Zamisa, Sizwe J.; Sharma, Anamika; Bongoza, Unathi; Njogu, Eric M.; Albericio, Fernando; Omondi, Bernard","Computational and structural insights into the zwitterionic and neutral forms of N-substituted hydroxyformamidines in the solid state","CrystEngComm","2025","27","39","6508","6522","10.1039/D5CE00521C","","","0.71073","MoKα","","0.1136","0.0782","","","0.228","0.2677","","","","","","1.0554","","","","has coordinates","303692","2025-11-29","19:10:27",""
"1575753","7.576","0.0003","23.9624","0.0008","13.8352","0.0004","90","","100.932","0.002","90","","2466.05","0.15","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 F4 N2 O -","- C13 H8 F4 N2 O -","- C104 H64 F32 N16 O8 -","8","2","","Juma, David O.; Zamisa, Sizwe J.; Sharma, Anamika; Bongoza, Unathi; Njogu, Eric M.; Albericio, Fernando; Omondi, Bernard","Computational and structural insights into the zwitterionic and neutral forms of N-substituted hydroxyformamidines in the solid state","CrystEngComm","2025","27","39","6508","6522","10.1039/D5CE00521C","","x-ray","0.71073","MoKα","","0.0505","0.0416","","","0.1062","0.1146","","","","","","1.053","","","","has coordinates","303692","2025-11-29","19:10:28",""
"1575754","8.8344","0.0009","16.8673","0.0012","14.2106","0.001","90","","106.59","0.005","90","","2029.4","0.3","298","","298.15","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C15 H25 Cl3 Mo S3 -","- C15 H25 Cl3 Mo S3 -","- C60 H100 Cl12 Mo4 S12 -","4","0.5","","Xu, Xiang; Du, Ronghuan; Sun, Luyang; Yang, Dawei; Wang, Baomin; Qu, Jingping","A bioinspired hetero-binuclear iron-molybdenum complex supported by tridentate sulfur donors and its catalytic activity toward hydrazine disproportionation.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14862","14867","10.1039/d5dt01575h","","","0.71073","MoKα","","0.0241","0.0214","","","0.0525","0.0543","","","","","","1.081","","","","has coordinates","303775","2025-11-29","20:45:26",""
"1575755","14.5318","0.0016","16.8683","0.0016","8.8897","0.0009","90","","108.8","0.006","90","","2062.8","0.4","300","","300","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C15 H25 Br Cl2 Mo S3 -","- C15 H25 Br Cl2 Mo S3 -","- C60 H100 Br4 Cl8 Mo4 S12 -","4","0.5","","Xu, Xiang; Du, Ronghuan; Sun, Luyang; Yang, Dawei; Wang, Baomin; Qu, Jingping","A bioinspired hetero-binuclear iron-molybdenum complex supported by tridentate sulfur donors and its catalytic activity toward hydrazine disproportionation.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14862","14867","10.1039/d5dt01575h","","","0.71073","MoKα","","0.0676","0.0361","","","0.0656","0.0755","","","","","","1.035","","","","has coordinates,has disorder","303775","2025-11-29","20:45:27",""
"1575756","12.2296","0.0008","14.7115","0.0009","16.6597","0.0011","90","","91.766","0.002","90","","2995.9","0.3","299","","299","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Cl F6 Fe Mo P S3 -","- C24 H38 Cl F6 Fe Mo P S3 -","- C96 H152 Cl4 F24 Fe4 Mo4 P4 S12 -","4","1","","Xu, Xiang; Du, Ronghuan; Sun, Luyang; Yang, Dawei; Wang, Baomin; Qu, Jingping","A bioinspired hetero-binuclear iron-molybdenum complex supported by tridentate sulfur donors and its catalytic activity toward hydrazine disproportionation.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14862","14867","10.1039/d5dt01575h","","","0.71073","MoKα","","0.0758","0.0618","","","0.1486","0.1558","","","","","","1.113","","","","has coordinates,has disorder","303775","2025-11-29","20:45:27",""
"1575757","11.5965","0.0009","11.742","0.0009","32.531","0.003","84.038","0.003","85.377","0.003","82.441","0.003","4357.3","0.6","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H58 B Br Fe Mo S3 -","- C48 H58 B Br Fe Mo S3 -","- C192 H232 B4 Br4 Fe4 Mo4 S12 -","4","2","","Xu, Xiang; Du, Ronghuan; Sun, Luyang; Yang, Dawei; Wang, Baomin; Qu, Jingping","A bioinspired hetero-binuclear iron-molybdenum complex supported by tridentate sulfur donors and its catalytic activity toward hydrazine disproportionation.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14862","14867","10.1039/d5dt01575h","","","0.71073","MoKα","","0.0689","0.0475","","","0.1011","0.1103","","","","","","1.019","","","","has coordinates,has disorder","303775","2025-11-29","20:45:27",""
"1575758","18.0784","0.0002","17.9614","0.0002","18.422","0.0002","90","","90","","90","","5981.87","0.11","297.06","0.1","297.06","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C56 H44 Cu3 I3 O2 P4 -","- C56 H44 Cu3 I3 O2 P4 -","- C224 H176 Cu12 I12 O8 P16 -","4","0.5","","Chen, Xiang; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Cong, Heng-Jiang; Li, Feng-Yan; Zhao, Yi","Trinuclear copper(I) furanyl <i>ortho</i>-diphosphine halide clusters: structure, photophysical and photocatalytic hydrogen production properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15223","15234","10.1039/d5dt01864a","","x-ray","1.54184","CuKα","","0.0587","0.0579","","","0.1793","0.18","","","","","","1.045","","","","has coordinates","303799","2025-11-29","20:56:25",""
"1575759","13.87931","0.00005","25.12831","0.00008","18.02014","0.00007","90","","111.48","0.0004","90","","5848.27","0.04","200","0.1","200","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H48 Br3 Cl4 Cu3 O2 P4 -","- C58 H48 Br3 Cl4 Cu3 O2 P4 -","- C232 H192 Br12 Cl16 Cu12 O8 P16 -","4","1","","Chen, Xiang; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Cong, Heng-Jiang; Li, Feng-Yan; Zhao, Yi","Trinuclear copper(I) furanyl <i>ortho</i>-diphosphine halide clusters: structure, photophysical and photocatalytic hydrogen production properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15223","15234","10.1039/d5dt01864a","","x-ray","1.54184","CuKα","","0.0553","0.0544","","","0.1659","0.1667","","","","","","1.048","","","","has coordinates","303799","2025-11-29","20:56:26",""
"1575760","12.7851","0.0001","13.4486","0.0002","18.4148","0.0002","107.813","0.001","106.568","0.001","97.195","0.001","2809.91","0.06","199.99","0.1","199.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C57 H46 Cl5 Cu3 O2 P4 -","- C57 H46 Cl5 Cu3 O2 P4 -","- C114 H92 Cl10 Cu6 O4 P8 -","2","1","","Chen, Xiang; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Cong, Heng-Jiang; Li, Feng-Yan; Zhao, Yi","Trinuclear copper(I) furanyl <i>ortho</i>-diphosphine halide clusters: structure, photophysical and photocatalytic hydrogen production properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15223","15234","10.1039/d5dt01864a","","x-ray","1.54184","CuKα","","0.0559","0.0552","","","0.1653","0.1659","","","","","","1.05","","","","has coordinates","303799","2025-11-29","20:56:26",""
"1575761","17.1548","0.0002","14.9696","0.0002","16.7695","0.0002","90","","92.093","0.001","90","","4303.54","0.09","100","2","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 N4 Ni Si2 -","- C48 H60 N4 Ni Si2 -","- C192 H240 N16 Ni4 Si8 -","4","0.5","","Glok, Eduard; Werner, Luis; Radius, Udo","N-Heterocyclic silylene complexes of nickel(0).","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14846","14861","10.1039/d5dt01887k","","","1.54184","CuKα","","0.0422","0.0395","","","0.112","0.1141","","","","","","1.124","","","","has coordinates","303773","2025-11-29","20:44:28",""
"1575762","14.5695","0.0002","16.0623","0.0002","16.5794","0.0002","90","","90","","90","","3879.91","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H25 Cl N2 Si -","- C20 H25 Cl N2 Si -","- C160 H200 Cl8 N16 Si8 -","8","1","","Glok, Eduard; Werner, Luis; Radius, Udo","N-Heterocyclic silylene complexes of nickel(0).","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14846","14861","10.1039/d5dt01887k","","","1.54184","CuKα","","0.0492","0.0395","","","0.1025","0.108","","","","","","1.026","","","","has coordinates,has disorder","303773","2025-11-29","20:44:29",""
"1575763","12.7926","0.0001","16.3317","0.0002","19.1874","0.0002","90","","91.412","0.001","90","","4007.51","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 N4 Ni O2 Si2 -","- C42 H48 N4 Ni O2 Si2 -","- C168 H192 N16 Ni4 O8 Si8 -","4","1","","Glok, Eduard; Werner, Luis; Radius, Udo","N-Heterocyclic silylene complexes of nickel(0).","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14846","14861","10.1039/d5dt01887k","","","1.54184","CuKα","","0.05","0.0396","","","0.1025","0.1074","","","","","","1.069","","","","has coordinates,has disorder","303773","2025-11-29","20:44:29",""
"1575764","17.107","0.0003","7.2738","0.0001","15.6926","0.0004","90","","90","","90","","1952.68","0.07","100","2","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H24 Cl2 N2 Si -","- C20 H24 Cl2 N2 Si -","- C80 H96 Cl8 N8 Si4 -","4","0.5","","Glok, Eduard; Werner, Luis; Radius, Udo","N-Heterocyclic silylene complexes of nickel(0).","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14846","14861","10.1039/d5dt01887k","","","1.54184","CuKα","","0.0398","0.0341","","","0.0937","0.097","","","","","","1.071","","","","has coordinates","303773","2025-11-29","20:44:29",""
"1575765","11.1416","0.0001","13.8795","0.0001","15.605","0.0001","94.939","0.001","97.136","0.001","94.385","0.001","2376.28","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H66 N4 Ni P2 Si2 -","- C46 H66 N4 Ni P2 Si2 -","- C92 H132 N8 Ni2 P4 Si4 -","2","1","","Glok, Eduard; Werner, Luis; Radius, Udo","N-Heterocyclic silylene complexes of nickel(0).","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14846","14861","10.1039/d5dt01887k","","","1.54184","CuKα","","0.0279","0.0274","","","0.0712","0.0715","","","","","","1.061","","","","has coordinates","303773","2025-11-29","20:44:29",""
"1575766","11.481","0.0002","13.253","0.0002","15.913","0.0003","92.719","0.001","109.784","0.001","108.3","0.001","2130.88","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H48 N4 Ni2 O4 Si2 -","- C44 H48 N4 Ni2 O4 Si2 -","- C88 H96 N8 Ni4 O8 Si4 -","2","1","","Glok, Eduard; Werner, Luis; Radius, Udo","N-Heterocyclic silylene complexes of nickel(0).","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14846","14861","10.1039/d5dt01887k","","","1.54184","CuKα","","0.0625","0.0569","","","0.1492","0.1536","","","","","","1.035","","","","has coordinates","303773","2025-11-29","20:44:29",""
"1575767","11.3997","0.0003","13.6548","0.0003","16.3338","0.0004","91.846","0.002","108.99","0.002","110.077","0.002","2228.21","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H48 N4 Ni3 O5 Si2 -","- C45 H48 N4 Ni3 O5 Si2 -","- C90 H96 N8 Ni6 O10 Si4 -","2","1","","Glok, Eduard; Werner, Luis; Radius, Udo","N-Heterocyclic silylene complexes of nickel(0).","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14846","14861","10.1039/d5dt01887k","","","1.54184","CuKα","","0.0845","0.0688","","","0.1891","0.2018","","","","","","1.033","","","","has coordinates","303773","2025-11-29","20:44:29",""
"1575768","12.7131","0.0002","12.8467","0.0002","17.0996","0.0003","77.687","0.001","83.468","0.001","64.135","0.001","2454.48","0.07","100","0.3","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H68 N6 Ni Si2 -","- C51 H68 N6 Ni Si2 -","- C102 H136 N12 Ni2 Si4 -","2","1","","Glok, Eduard; Werner, Luis; Radius, Udo","N-Heterocyclic silylene complexes of nickel(0).","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14846","14861","10.1039/d5dt01887k","","","1.54184","CuKα","","0.0409","0.0376","","","0.0999","0.102","","","","","","1.05","","","","has coordinates","303773","2025-11-29","20:44:29",""
"1575769","17.2144","0.0002","17.2144","0.0002","40.8854","0.0006","90","","90","","90","","12115.8","0.3","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C126 H186 N16 Ni2 Si4 -","- C126 H186 N16 Ni2 Si4 -","- C504 H744 N64 Ni8 Si16 -","4","0.25","","Glok, Eduard; Werner, Luis; Radius, Udo","N-Heterocyclic silylene complexes of nickel(0).","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14846","14861","10.1039/d5dt01887k","","","1.54184","CuKα","","0.0666","0.0538","","","0.1571","0.168","","","","","","1.049","","","","has coordinates,has disorder","303773","2025-11-29","20:44:29",""
"1575770","11.4597","0.0001","15.0762","0.0001","15.4869","0.0002","77.317","0.001","89.323","0.001","77.777","0.001","2549.5","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H78 N4 Ni P2 Si2 -","- C52 H78 N4 Ni P2 Si2 -","- C104 H156 N8 Ni2 P4 Si4 -","2","1","","Glok, Eduard; Werner, Luis; Radius, Udo","N-Heterocyclic silylene complexes of nickel(0).","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14846","14861","10.1039/d5dt01887k","","","1.54184","CuKα","","0.0289","0.0274","","","0.0723","0.0731","","","","","","1.041","","","","has coordinates","303773","2025-11-29","20:44:29",""
"1575771","11.2093","0.0003","12.1335","0.0004","18.197","0.0004","93.144","0.002","92.095","0.002","115.347","0.003","2228.37","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H71 N6 Ni Si -","- C45 H71 N6 Ni Si -","- C90 H142 N12 Ni2 Si2 -","2","1","","Glok, Eduard; Werner, Luis; Radius, Udo","N-Heterocyclic silylene complexes of nickel(0).","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14846","14861","10.1039/d5dt01887k","","","1.54184","CuKα","","0.0777","0.0663","","","0.1773","0.1873","","","","","","1.03","","","","has coordinates","303773","2025-11-29","20:44:29",""
"1575772","10.8816","0.0001","12.6476","0.0002","26.5569","0.0003","81.486","0.001","85","0.001","67.083","0.001","3327.59","0.08","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C67 H109 N4 Ni P2 Si2 -","- C67 H109 N4 Ni P2 Si2 -","- C134 H218 N8 Ni2 P4 Si4 -","2","1","","Glok, Eduard; Werner, Luis; Radius, Udo","N-Heterocyclic silylene complexes of nickel(0).","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14846","14861","10.1039/d5dt01887k","","x-ray","1.54184","CuKα","","0.0701","0.0645","","","0.1783","0.1825","","","","","","1.063","","","","has coordinates","303773","2025-11-29","20:44:29",""
"1575773","9.1816","0.0003","9.6057","0.0002","14.076","0.0003","90","","97.815","0.002","90","","1229.91","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H17 F6 N2 O -","- C28 H17 F6 N2 O -","- C56 H34 F12 N4 O2 -","2","1","","Ahmed, Imtiaz; Gupta, Nikita; Sarma, Plaban Jyoti; Neog, Shilpa; Das, Vijay Kumar","Visible light-driven modular synthesis of aza-β-lactams via a dual photochemical cascade","Green Chemistry","2025","27","39","12472","12482","10.1039/D5GC03481G","","x-ray","1.54184","CuKα","","0.0746","0.0611","","","0.1728","0.1862","","","","","","1.058","","","","has coordinates,has disorder","303839","2025-11-29","21:27:08",""
"1575774","14.6236","0.0002","10.0403","0.0001","15.0628","0.0002","90","","92.403","0.001","90","","2209.66","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 O -","- C28 H24 N2 O -","- C112 H96 N8 O4 -","4","1","","Ahmed, Imtiaz; Gupta, Nikita; Sarma, Plaban Jyoti; Neog, Shilpa; Das, Vijay Kumar","Visible light-driven modular synthesis of aza-β-lactams via a dual photochemical cascade","Green Chemistry","2025","27","39","12472","12482","10.1039/D5GC03481G","","x-ray","1.54184","CuKα","","0.0555","0.046","","","0.1312","0.1355","","","","","","1.172","","","","has coordinates","303839","2025-11-29","21:27:09",""
"1575775","7.5098","0.0006","12.5763","0.0011","8.5526","0.0007","90","","112.989","0.002","90","","743.6","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","indoline-1-carbonyl fluoride","indoline-1-carbonyl fluoride","","- C36 H32 F4 N4 O4 -","- C36 H32 F4 N4 O4 -","- C36 H32 F4 N4 O4 -","1","0.25","","Das, Subhodeep; Das, Supriyo; Rahaman, Sk Abdur; Mandal, Sourav; Jana, Ranjan","A visible-light-mediated decarboxylative umpolung strategy to access carbamoyl/acyl fluorides in a buffer medium: expedient access to unsymmetrical ureas/amides and lysine-selective bioconjugation","Green Chemistry","2025","27","42","13268","13280","10.1039/D5GC04556H","","x-ray","1.54178","CuKα","","0.0562","0.0458","","","0.1295","0.1319","","","","","","0.819","","","","has coordinates","303837","2025-11-29","21:26:34",""
"1575776","19.4243","0.0008","19.4243","0.0008","11.5952","0.0006","90","","90","","120","","3788.8","0.3","293.1","0.2","293.1","0.2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C71 H44 Fe3 N6 O13 -","- C71 H44 Fe3 N6 O13 -","- C71 H44 Fe3 N6 O13 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.1554","0.0946","","","0.2693","0.333","","","","","","1.05","","","","has coordinates,has disorder","303635","2025-11-29","18:29:12",""
"1575777","19.5213","0.0006","19.5213","0.0006","11.4015","0.0006","90","","90","","120","","3762.8","0.3","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C71.36 H36.03 Fe3 N4 O15 -","- C71.3589 H36.026 Fe3 N3.9981 O14.9998 -","- C71.3589 H36.026 Fe3 N3.9981 O14.9998 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.0911","0.0734","","","0.2085","0.2275","","","","","","1.002","","","","has coordinates,has disorder","303635","2025-11-29","18:29:24",""
"1575778","19.5208","0.0007","19.5208","0.0007","11.499","0.0007","90","","90","","120","","3794.8","0.3","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C74.49 H40 Fe3 N2 O13 -","- C74.493 H39.9998 Fe3 N2.0001 O13 -","- C74.493 H39.9998 Fe3 N2.0001 O13 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.0847","0.0761","","","0.2116","0.2216","","","","","","1.026","","","","has coordinates,has disorder","303635","2025-11-29","18:29:25",""
"1575779","19.7696","0.0007","19.7696","0.0007","11.1567","0.0004","90","","90","","120","","3776.3","0.2","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C89 H48 Fe3 N3 O13 -","- C89 H48 Fe3 N3 O13 -","- C89 H48 Fe3 N3 O13 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.0823","0.0738","","","0.2325","0.2428","","","","","","1.133","","","","has coordinates,has disorder","303635","2025-11-29","18:29:26",""
"1575780","19.4911","0.0012","19.4911","0.0012","11.4691","0.0011","90","","90","","120","","3773.4","0.5","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C77 H41 Fe3 N3 O16 -","- C77 H41 Fe3 N3 O16 -","- C77 H41 Fe3 N3 O16 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.0875","0.0779","","","0.2085","0.2179","","","","","","1.012","","","","has coordinates,has disorder","303635","2025-11-29","18:29:27",""
"1575781","19.1879","0.0007","19.1879","0.0007","11.9176","0.0005","90","","90","","120","","3799.9","0.3","150","0.13","150","0.13","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C99 H60 Fe3 N9 O13 -","- C99 H60 Fe3 N9 O13 -","- C99 H60 Fe3 N9 O13 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.1184","0.1041","","","0.2887","0.3106","","","","","","1.263","","","","has coordinates,has disorder","303635","2025-11-29","18:29:27",""
"1575782","19.2448","0.001","19.2448","0.001","11.8172","0.0011","90","","90","","120","","3790.3","0.4","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C84 H44 Fe3 N9 O13 -","- C84 H44 Fe3 N9 O13 -","- C84 H44 Fe3 N9 O13 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.0864","0.0721","","","0.212","0.2231","","","","","","1.13","","","","has coordinates,has disorder","303635","2025-11-29","18:29:27",""
"1575783","19.7386","0.0016","19.7386","0.0016","11.014","0.0012","90","","90","","120","","3716.3","0.6","150","10","150","10","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C82 H38 Fe3 N6 O19 -","- C81.998 H38 Fe3 N6 O19 -","- C81.998 H38 Fe3 N6 O19 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.126","0.0926","","","0.2589","0.2943","","","","","","1.037","","","","has coordinates,has disorder","303635","2025-11-29","18:29:27",""
"1575784","19.3746","0.0005","19.3746","0.0005","11.6627","0.0003","90","","90","","120","","3791.36","0.17","293","3","293","3","","","","","","","","6","P -6 m 2","P -6 2","187","","","","- C71 H41 B3 Fe3 N3 O16 -","- C71 H41 B3 Fe3 N3 O16 -","- C71 H41 B3 Fe3 N3 O16 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.0943","0.0835","","","0.2474","0.2654","","","","","","1.146","","","","has coordinates,has disorder","303635","2025-11-29","18:29:27",""
"1575785","14.2605","0.0018","15.815","0.002","21.051","0.003","72.144","0.005","88.711","0.005","68.682","0.004","4188.5","1","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","","","- C88 H84 N8 -","- C88 H84 N8 -","- C176 H168 N16 -","2","1","","Spergen, Aswini; Bal, Pranav V.; Khan Shameer Shameem, Asif; Joshy, Arun; Nambiar, Anjana P.; Andrews, Alex P.; Sabapathi, Gokulnath","Bis-subporphyrin-like boron(iii) complexes derived from indolo[2,3-<i>a</i>]carbazole-based cyclic bis-BODIPYs exhibiting persistent helical chirality.","Chemical science","2025","16","41","19164","19171","10.1039/d5sc04279h","","","0.71073","MoKα","","0.1057","0.0535","","","0.1223","0.1522","","","","","","1.027","","","","has coordinates,has disorder","303607","2025-11-29","18:17:55",""
"1575786","16.019","0.004","16.711","0.004","17.19","0.004","80.199","0.009","80.159","0.01","87.116","0.009","4466.7","1.9","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H90 B2 F4 N8 O2 -","- C92 H90 B2 F4 N8 O2 -","- C184 H180 B4 F8 N16 O4 -","2","1","","Spergen, Aswini; Bal, Pranav V.; Khan Shameer Shameem, Asif; Joshy, Arun; Nambiar, Anjana P.; Andrews, Alex P.; Sabapathi, Gokulnath","Bis-subporphyrin-like boron(iii) complexes derived from indolo[2,3-<i>a</i>]carbazole-based cyclic bis-BODIPYs exhibiting persistent helical chirality.","Chemical science","2025","16","41","19164","19171","10.1039/d5sc04279h","","","0.71073","MoKα","","0.21","0.0878","","","0.2381","0.3167","","","","","","1.008","","","","has coordinates","303607","2025-11-29","18:17:55",""
"1575787","32.653","0.004","16.997","0.002","30.332","0.004","90","","110.73","0.004","90","","15744","3","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H80 B2 F2 N8 -","- C88 H80 B2 F2 N8 -","- C704 H640 B16 F16 N64 -","8","1","","Spergen, Aswini; Bal, Pranav V.; Khan Shameer Shameem, Asif; Joshy, Arun; Nambiar, Anjana P.; Andrews, Alex P.; Sabapathi, Gokulnath","Bis-subporphyrin-like boron(iii) complexes derived from indolo[2,3-<i>a</i>]carbazole-based cyclic bis-BODIPYs exhibiting persistent helical chirality.","Chemical science","2025","16","41","19164","19171","10.1039/d5sc04279h","","","0.71073","MoKα","","0.2075","0.0887","","","0.2308","0.3226","","","","","","0.998","","","","has coordinates,has disorder","303607","2025-11-29","18:17:55",""
"1575788","15.5","0.003","9.04","0.0018","18.05","0.004","90","","99.3","0.03","90","","2495.9","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H76 Ge2 N2 P2 Si2 -","- C50 H76 Ge2 N2 P2 Si2 -","- C100 H152 Ge4 N4 P4 Si4 -","2","0.5","","Schulz, Annika; Heinz, Myron; Holthausen, Max C.; Hadlington, Terrance J.","The path to an open-shell metallo-germylene: direct ligation, or reduction and metathesis?","Chemical science","2025","16","43","20265","20274","10.1039/d5sc04265h","","","0.71073","MoKα","","0.0386","0.0295","","","0.0662","0.0696","","","","","","1.142","","","","has coordinates","303617","2025-11-29","18:22:25",""
"1575789","13.86","0.003","10.42","0.002","20.49","0.004","90","","93.4","0.03","90","","2954","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H86 Ge2 N2 P2 Si2 -","- C62 H86 Ge2 N2 P2 Si2 -","- C124 H172 Ge4 N4 P4 Si4 -","2","0.5","","Schulz, Annika; Heinz, Myron; Holthausen, Max C.; Hadlington, Terrance J.","The path to an open-shell metallo-germylene: direct ligation, or reduction and metathesis?","Chemical science","2025","16","43","20265","20274","10.1039/d5sc04265h","","","0.71073","MoKα","","0.1025","0.0576","","","0.13","0.1547","","","","","","0.981","","","","has coordinates","303617","2025-11-29","18:22:25",""
"1575790","13.12","0.003","13.45","0.003","21.66","0.004","88","0.03","76.1","0.03","72.3","0.03","3531.6","1.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H91 Co Ge2 N4 P2 Si2 -","- C63 H91 Co Ge2 N4 P2 Si2 -","- C126 H182 Co2 Ge4 N8 P4 Si4 -","2","1","","Schulz, Annika; Heinz, Myron; Holthausen, Max C.; Hadlington, Terrance J.","The path to an open-shell metallo-germylene: direct ligation, or reduction and metathesis?","Chemical science","2025","16","43","20265","20274","10.1039/d5sc04265h","","","0.71073","MoKα","","0.0809","0.0409","","","0.0849","0.0943","","","","","","0.898","","","","has coordinates","303617","2025-11-29","18:22:25",""
"1575791","11.8843","0.0013","13.7126","0.0013","19.676","0.002","107.207","0.004","96.78","0.004","107.081","0.003","2853.2","0.5","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C69 H58 O4 P2 S4 -","- C69 H58 O4 P2 S4 -","- C138 H116 O8 P4 S8 -","2","1","","Schulz, Annika; Heinz, Myron; Holthausen, Max C.; Hadlington, Terrance J.","The path to an open-shell metallo-germylene: direct ligation, or reduction and metathesis?","Chemical science","2025","16","43","20265","20274","10.1039/d5sc04265h","","x-ray","0.71073","MoKα","","0.0662","0.0554","","","0.1433","0.1512","","","","","","1.056","","","","has coordinates","303617","2025-11-29","18:22:25",""
"1575792","32.5","0.007","19.92","0.004","28.05","0.006","90","","90","","90","","18160","7","150","2","150","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C90 H91 B Co F24 Ge N3 P Si -","- C89.9999 H91 B Co F24 Ge N3 P Si -","- C719.999 H728 B8 Co8 F192 Ge8 N24 P8 Si8 -","8","2","","Schulz, Annika; Heinz, Myron; Holthausen, Max C.; Hadlington, Terrance J.","The path to an open-shell metallo-germylene: direct ligation, or reduction and metathesis?","Chemical science","2025","16","43","20265","20274","10.1039/d5sc04265h","","","0.71073","MoKα","","0.0812","0.0601","","","0.1544","0.1673","","","","","","1.062","","","","has coordinates,has disorder","303617","2025-11-29","18:22:25",""
"1575793","9.338","0.002","11.05","0.003","17.24","0.004","101.809","0.002","99.237","0.002","98.528","0.002","1688.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F12 Mn O10 Rh -","- C25 H23 F12 Mn O10 Rh -","- C50 H46 F24 Mn2 O20 Rh2 -","2","1","","Zulqarnain, Muhammad; Wei, Zheng; Hollo, Marcell; Dunn, Kathleen A.; Dikarev, Evgeny V.","Molecular precursor synthesis of the Rh<sub>2</sub>O<sub>3</sub>/Fe<sub>2</sub>O<sub>3</sub> spherical architecture for enhanced acidic HER activity and durability.","Chemical science","2025","16","40","18695","18704","10.1039/d5sc04912a","","","0.71073","MoKα","","0.0999","0.0715","","","0.1334","0.1464","","","","","","1.186","","","","has coordinates","303652","2025-11-29","18:35:06",""
"1575794","9.3721","0.0008","10.8813","0.0009","17.0276","0.0015","101.894","0.002","101.188","0.002","98.108","0.002","1637","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Co F12 O10 Rh -","- C25 H23 Co F12 O10 Rh -","- C50 H46 Co2 F24 O20 Rh2 -","2","1","","Zulqarnain, Muhammad; Wei, Zheng; Hollo, Marcell; Dunn, Kathleen A.; Dikarev, Evgeny V.","Molecular precursor synthesis of the Rh<sub>2</sub>O<sub>3</sub>/Fe<sub>2</sub>O<sub>3</sub> spherical architecture for enhanced acidic HER activity and durability.","Chemical science","2025","16","40","18695","18704","10.1039/d5sc04912a","","","0.71073","MoKα","","0.0703","0.0464","","","0.078","0.086","","","","","","1.062","","","","has coordinates,has disorder","303652","2025-11-29","18:35:10",""
"1575795","9.3525","0.0007","10.8615","0.0008","17.1401","0.0014","101.427","0.003","100.816","0.002","98.018","0.002","1647.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F12 Fe O10 Rh -","- C25 H23 F12 Fe O10 Rh -","- C50 H46 F24 Fe2 O20 Rh2 -","2","1","","Zulqarnain, Muhammad; Wei, Zheng; Hollo, Marcell; Dunn, Kathleen A.; Dikarev, Evgeny V.","Molecular precursor synthesis of the Rh<sub>2</sub>O<sub>3</sub>/Fe<sub>2</sub>O<sub>3</sub> spherical architecture for enhanced acidic HER activity and durability.","Chemical science","2025","16","40","18695","18704","10.1039/d5sc04912a","","","0.71073","MoKα","","0.0792","0.0508","","","0.0803","0.089","","","","","","1.049","","","","has coordinates,has disorder","303652","2025-11-29","18:35:21",""
"1575796","13.652","0.0003","7.41605","0.00015","16.2743","0.0004","90","","98.865","0.002","90","","1627.99","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 O6 Rh -","- C15 H21 O6 Rh -","- C60 H84 O24 Rh4 -","4","1","","Zulqarnain, Muhammad; Wei, Zheng; Hollo, Marcell; Dunn, Kathleen A.; Dikarev, Evgeny V.","Molecular precursor synthesis of the Rh<sub>2</sub>O<sub>3</sub>/Fe<sub>2</sub>O<sub>3</sub> spherical architecture for enhanced acidic HER activity and durability.","Chemical science","2025","16","40","18695","18704","10.1039/d5sc04912a","","x-ray","0.71073","MoKα","","0.0258","0.0214","","","0.0502","0.0523","","","","","","1.051","","","","has coordinates,has disorder","303652","2025-11-29","18:35:22",""
"1575797","11.1141","0.0002","12.0398","0.0003","12.4524","0.0003","90","","90","","90","","1666.27","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Br N2 -","- C19 H19 Br N2 -","- C76 H76 Br4 N8 -","4","1","","Walker, Joseph W.; Chowdhury, Tajrian; Rosair, Georgina M.; Farnaby, Joy H.; Mansell, Stephen M.; McIntosh, Ruaraidh D.","Heteroleptic tethered NHC rare earth initiators for the ring opening polymerisation of <i>rac</i>-lactide.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14937","14946","10.1039/d5dt01352f","","","1.54178","CuKα","","0.0197","0.0196","","","0.0479","0.048","","","","","","1.108","","","","has coordinates","303779","2025-11-29","20:47:10",""
"1575798","11.4996","0.0003","11.3835","0.0003","21.0457","0.0005","90","","95.486","0.001","90","","2742.38","0.12","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H70 Br2 Ce2 N6 Si4 -","- C50 H70 Br2 Ce2 N6 Si4 -","- C100 H140 Br4 Ce4 N12 Si8 -","2","0.5","","Walker, Joseph W.; Chowdhury, Tajrian; Rosair, Georgina M.; Farnaby, Joy H.; Mansell, Stephen M.; McIntosh, Ruaraidh D.","Heteroleptic tethered NHC rare earth initiators for the ring opening polymerisation of <i>rac</i>-lactide.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14937","14946","10.1039/d5dt01352f","","","1.54178","CuKα","","0.0194","0.0191","","","0.048","0.0481","","","","","","1.064","","","","has coordinates","303779","2025-11-29","20:47:11",""
"1575799","12.9276","0.0002","16.4136","0.0003","16.8458","0.0003","90","","90","","90","","3574.48","0.11","100","2","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C31 H53 N4 Nd Si4 -","- C31 H53 N4 Nd Si4 -","- C124 H212 N16 Nd4 Si16 -","4","1","","Walker, Joseph W.; Chowdhury, Tajrian; Rosair, Georgina M.; Farnaby, Joy H.; Mansell, Stephen M.; McIntosh, Ruaraidh D.","Heteroleptic tethered NHC rare earth initiators for the ring opening polymerisation of <i>rac</i>-lactide.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14937","14946","10.1039/d5dt01352f","","","1.54178","CuKα","","0.073","0.0698","","","0.1775","0.1819","","","","","","1.018","","","","has coordinates","303779","2025-11-29","20:47:11",""
"1575800","12.9434","0.0002","16.4994","0.0002","16.884","0.0002","90","","90","","90","","3605.72","0.08","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C31 H53 La N4 Si4 -","- C31 H53 La N4 Si4 -","- C124 H212 La4 N16 Si16 -","4","1","","Walker, Joseph W.; Chowdhury, Tajrian; Rosair, Georgina M.; Farnaby, Joy H.; Mansell, Stephen M.; McIntosh, Ruaraidh D.","Heteroleptic tethered NHC rare earth initiators for the ring opening polymerisation of <i>rac</i>-lactide.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14937","14946","10.1039/d5dt01352f","","","1.54178","CuKα","","0.0765","0.0704","","","0.1775","0.1833","","","","","","1.058","","","","has coordinates","303779","2025-11-29","20:47:11",""
"1575801","18.1504","0.0006","11.7451","0.0004","19.4041","0.0007","90","","116.065","0.002","90","","3715.8","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H53 Ce N4 Si4 -","- C31 H53 Ce N4 Si4 -","- C124 H212 Ce4 N16 Si16 -","4","1","","Walker, Joseph W.; Chowdhury, Tajrian; Rosair, Georgina M.; Farnaby, Joy H.; Mansell, Stephen M.; McIntosh, Ruaraidh D.","Heteroleptic tethered NHC rare earth initiators for the ring opening polymerisation of <i>rac</i>-lactide.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14937","14946","10.1039/d5dt01352f","","","1.54178","CuKα","","0.077","0.0724","","","0.2005","0.2037","","","","","","1.062","","","","has coordinates","303779","2025-11-29","20:47:11",""
"1575802","11.02153","0.00012","20.9515","0.0002","21.722","0.0003","90","","104.693","0.0012","90","","4851.96","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H73 N5 Zn -","- C51 H73 N5 Zn -","- C204 H292 N20 Zn4 -","4","1","","Sahoo, Rajata Kumar; Mukhopadhyay, Sayantan; Rajput, Sagrika; Jana, Achintya; Nembenna, Sharanappa","Bulky bis-guanidine ligand-based neutral and cationic zinc alkyl, halide, and hydride complexes: synthesis, characterization, and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15554","15560","10.1039/d4dt02907k","","x-ray","1.54184","CuKα","","0.0384","0.036","","","0.1022","0.104","","","","","","1.038","","","","has coordinates","303739","2025-11-29","20:17:08",""
"1575803","11.16","0.0001","21.0258","0.0002","21.742","0.0003","90","","104.485","0.001","90","","4939.55","0.1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H70 I N5 Zn -","- C50 H70 I N5 Zn -","- C200 H280 I4 N20 Zn4 -","4","0.5","","Sahoo, Rajata Kumar; Mukhopadhyay, Sayantan; Rajput, Sagrika; Jana, Achintya; Nembenna, Sharanappa","Bulky bis-guanidine ligand-based neutral and cationic zinc alkyl, halide, and hydride complexes: synthesis, characterization, and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15554","15560","10.1039/d4dt02907k","","","1.54184","CuKα","","0.051","0.0459","","","0.1166","0.1182","","","","","","1.048","","","","has coordinates","303739","2025-11-29","20:17:09",""
"1575804","17.2919","0.0003","24.0736","0.0007","19.9128","0.0004","90","","92.305","0.002","90","","8282.6","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H77 B F20 N5 Zn -","- C81 H77 B F20 N5 Zn -","- C324 H308 B4 F80 N20 Zn4 -","4","1","","Sahoo, Rajata Kumar; Mukhopadhyay, Sayantan; Rajput, Sagrika; Jana, Achintya; Nembenna, Sharanappa","Bulky bis-guanidine ligand-based neutral and cationic zinc alkyl, halide, and hydride complexes: synthesis, characterization, and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15554","15560","10.1039/d4dt02907k","","","1.54184","CuKα","","0.1695","0.141","","","0.3768","0.4033","","","","","","1.565","","","","has coordinates,has disorder","303739","2025-11-29","20:17:09",""
"1575805","12.4414","0.0002","17.3423","0.0002","38.667","0.0004","97.287","0.001","96.158","0.001","93.378","0.001","8205.47","0.19","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C153 H147 B2 Cl15 F40 I2 N10 Zn2 -","- C153 H147 B2 Cl15 F40 I2 N10 Zn2 -","- C306 H294 B4 Cl30 F80 I4 N20 Zn4 -","2","1","","Sahoo, Rajata Kumar; Mukhopadhyay, Sayantan; Rajput, Sagrika; Jana, Achintya; Nembenna, Sharanappa","Bulky bis-guanidine ligand-based neutral and cationic zinc alkyl, halide, and hydride complexes: synthesis, characterization, and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15554","15560","10.1039/d4dt02907k","","","1.54184","CuKα","","0.1553","0.148","","","0.3686","0.3736","","","","","","1.072","","","","has coordinates","303739","2025-11-29","20:17:09",""
"1575806","27.6965","0.0013","10.7068","0.0003","19.6795","0.0009","90","","127.917","0.007","90","","4603.9","0.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H71 N5 Zn -","- C50 H71 N5 Zn -","- C200 H284 N20 Zn4 -","4","0.5","","Sahoo, Rajata Kumar; Mukhopadhyay, Sayantan; Rajput, Sagrika; Jana, Achintya; Nembenna, Sharanappa","Bulky bis-guanidine ligand-based neutral and cationic zinc alkyl, halide, and hydride complexes: synthesis, characterization, and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15554","15560","10.1039/d4dt02907k","","x-ray","0.71073","MoKα","","0.0401","0.0373","","","0.0956","0.0974","","","","","","1.0302","","","","has coordinates","303739","2025-11-29","20:17:09",""
"1575807","16.1606","0.0004","17.0908","0.0003","17.4475","0.0003","76.126","0.002","73.337","0.002","78.115","0.002","4432.88","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H77 B Cl3 F20 N5 Zn -","- C77 H77 B Cl3 F20 N5 Zn -","- C154 H154 B2 Cl6 F40 N10 Zn2 -","2","1","","Sahoo, Rajata Kumar; Mukhopadhyay, Sayantan; Rajput, Sagrika; Jana, Achintya; Nembenna, Sharanappa","Bulky bis-guanidine ligand-based neutral and cationic zinc alkyl, halide, and hydride complexes: synthesis, characterization, and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15554","15560","10.1039/d4dt02907k","","","1.54184","CuKα","","0.1339","0.1232","","","0.3766","0.3906","","","","","","1.646","","","","has coordinates","303739","2025-11-29","20:17:09",""
"1575808","10.7771","0.0001","12.0104","0.0002","21.3556","0.0002","91.713","0.001","104.01","0.001","115.085","0.001","2401.24","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H75 N5 Zn -","- C52 H75 N5 Zn -","- C104 H150 N10 Zn2 -","2","1","","Sahoo, Rajata Kumar; Mukhopadhyay, Sayantan; Rajput, Sagrika; Jana, Achintya; Nembenna, Sharanappa","Bulky bis-guanidine ligand-based neutral and cationic zinc alkyl, halide, and hydride complexes: synthesis, characterization, and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15554","15560","10.1039/d4dt02907k","","","1.54184","CuKα","","0.0727","0.0666","","","0.1774","0.1805","","","","","","1.0385","","","","has coordinates","303739","2025-11-29","20:17:09",""
"1575809","14.4959","0.0003","12.8299","0.0003","16.1978","0.0003","90","","97.922","0.002","90","","2983.73","0.11","100","0.3","100","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 F24 N2 O5 Ti -","- C19 H19 F24 N2 O5 Ti -","- C76 H76 F96 N8 O20 Ti4 -","4","1","","Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank","Exploring untapped potential of the molecular precursor approach to control fluorine-doping in mesostructured titania for acid catalysis","Catalysis Science & Technology","2025","15","22","6744","6756","10.1039/D5CY00688K","","x-ray","0.71073","MoKα","","0.0679","0.046","","","0.1111","0.1206","","","","","","1.031","","","","has coordinates,has disorder","303502","2025-11-29","17:09:59",""
"1575810","12.1293","0.0001","12.741","0.0001","20.1157","0.0002","90","","92.442","0.001","90","","3105.85","0.05","100.04","0.18","100.04","0.18","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 F12 N4 O6 Ti2 -","- C20 H36 F12 N4 O6 Ti2 -","- C80 H144 F48 N16 O24 Ti8 -","4","1","","Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank","Exploring untapped potential of the molecular precursor approach to control fluorine-doping in mesostructured titania for acid catalysis","Catalysis Science & Technology","2025","15","22","6744","6756","10.1039/D5CY00688K","","x-ray","1.54184","CuKα","","0.0367","0.0322","","","0.0839","0.0874","","","","","","1.045","","","","has coordinates,has disorder","303502","2025-11-29","17:10:11",""
"1575811","9.5425","0.0002","9.6023","0.0002","9.937","0.0002","67.895","0.002","79.245","0.002","63.17","0.002","752.63","0.03","100","0.17","100","0.17","","","","","","","","6","P -1","-P 1","2","","","","- C20 H34 F12 N4 O6 Ti2 -","- C20 H34 F12 N4 O6 Ti2 -","- C20 H34 F12 N4 O6 Ti2 -","1","0.5","","Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank","Exploring untapped potential of the molecular precursor approach to control fluorine-doping in mesostructured titania for acid catalysis","Catalysis Science & Technology","2025","15","22","6744","6756","10.1039/D5CY00688K","","x-ray","1.54184","CuKα","","0.0332","0.033","","","0.0918","0.092","","","","","","1.063","","","","has coordinates,has disorder","303502","2025-11-29","17:10:15",""
"1575812","15.9682","0.0002","12.0478","0.0001","28.9061","0.0003","90","","90","","90","","5561","0.1","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 F24 N2 O4 Ti -","- C18 H18 F24 N2 O4 Ti -","- C144 H144 F192 N16 O32 Ti8 -","8","1","","Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank","Exploring untapped potential of the molecular precursor approach to control fluorine-doping in mesostructured titania for acid catalysis","Catalysis Science & Technology","2025","15","22","6744","6756","10.1039/D5CY00688K","","x-ray","0.71073","MoKα","","0.0347","0.0288","","","0.0719","0.0749","","","","","","1.028","","","","has coordinates","303502","2025-11-29","17:10:15",""
"1575813","19.5163","0.0002","17.4673","0.0002","19.7943","0.0003","90","","90","","90","","6747.82","0.15","100","0.3","100","0.3","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H30 F18 N2 O8 Ti2 -","- C21 H30 F18 N2 O8 Ti2 -","- C168 H240 F144 N16 O64 Ti16 -","8","1","","Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank","Exploring untapped potential of the molecular precursor approach to control fluorine-doping in mesostructured titania for acid catalysis","Catalysis Science & Technology","2025","15","22","6744","6756","10.1039/D5CY00688K","","x-ray","1.54184","CuKα","","0.0564","0.0482","","","0.1283","0.1337","","","","","","1.053","","","","has coordinates","303502","2025-11-29","17:10:27",""
"1575814","24.6382","0.0002","12.0552","0.0001","62.6466","0.0004","90","","90","","90","","18607.2","0.2","100","0.3","100","0.3","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H40 F24 N4 O6 Ti2 -","- C31 H40 F24 N4 O6 Ti2 -","- C496 H640 F384 N64 O96 Ti32 -","16","4","","Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank","Exploring untapped potential of the molecular precursor approach to control fluorine-doping in mesostructured titania for acid catalysis","Catalysis Science & Technology","2025","15","22","6744","6756","10.1039/D5CY00688K","","x-ray","1.54184","CuKα","","0.054","0.0513","","","0.1233","0.1253","","","","","","1.035","","","","has coordinates,has disorder","303502","2025-11-29","17:10:31",""
"1575815","15.4951","0.0001","13.2894","0.0001","32.9588","0.0002","90","","94.742","0.001","90","","6763.66","0.08","100","0.2","100","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H59.5 Cl1.5 F24 N5 O17 Ti5 -","- C37.5 H59.5 Cl1.5 F24 N5 O17 Ti5 -","- C150 H238 Cl6 F96 N20 O68 Ti20 -","4","1","","Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank","Exploring untapped potential of the molecular precursor approach to control fluorine-doping in mesostructured titania for acid catalysis","Catalysis Science & Technology","2025","15","22","6744","6756","10.1039/D5CY00688K","","x-ray","1.54184","CuKα","","0.0503","0.0488","","","0.139","0.1404","","","","","","1.044","","","","has coordinates","303502","2025-11-29","17:10:43",""
"1575816","24.66436","0.0001","12.04568","0.00005","62.6972","0.0003","90","","90","","90","","18627.3","0.14","100","0.3","100","0.3","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27.5 H36 F24 N4 O6 Ti2 -","- C27.5 H36 F24 N4 O6 Ti2 -","- C440 H576 F384 N64 O96 Ti32 -","16","4","","Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank","Exploring untapped potential of the molecular precursor approach to control fluorine-doping in mesostructured titania for acid catalysis","Catalysis Science & Technology","2025","15","22","6744","6756","10.1039/D5CY00688K","","x-ray","1.54184","CuKα","","0.059","0.0588","","","0.1529","0.153","","","","","","1.052","","","","has coordinates","303502","2025-11-29","17:10:43",""
"1575817","14.985","0.007","11.002","0.005","20.12","0.009","90","","102.416","0.011","90","","3240","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Br4 Fe2 N6 -","- C30 H26 Br4 Fe2 N6 -","- C120 H104 Br16 Fe8 N24 -","4","1","","Pradhan, Chandini; Dubey, Shivansh; Samal, Pragnya Paramita; Krishnamurty, Sailaja; Punji, Benudhar","syn-Selective hydrosilylation and hydroboration of alkynes at room temperature catalyzed by a phosphine-free (NNN)Fe(ii) complex","Catalysis Science & Technology","2025","15","22","6716","6725","10.1039/D5CY00766F","","","0.71073","MoKα","","0.2209","0.0896","","","0.1901","0.2476","","","","","","1.021","","","","has coordinates,has disorder","303500","2025-11-29","17:07:05",""
"1575818","6.7802","0.0001","9.4831","0.0001","22.5161","0.0003","90","","90.741","0.001","90","","1447.6","0.03","123.15","","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Kawanaka, Kazuki; Narita, Shusuke; Kiyokawa, Kensuke; Minakata, Satoshi","Versatile method for the synthesis of aminobenziodoxolones and its application to one-pot coupling of arylboronic acids with simple amines.","Chemical science","2025","16","41","19389","19396","10.1039/d5sc06301a","","x-ray","1.54184","CuKα","","0.043","0.0397","","","0.1116","0.1147","","","","","","1.072","","","","has coordinates","303609","2025-11-29","18:18:43",""
"1575819","11.684","0.005","11.772","0.006","15.675","0.007","79.612","0.016","88.653","0.014","72.481","0.017","2021.2","1.6","193","2","193.15","","","","","","","","","7","P -1","-P 1","2","","","","- C74 H98 Dy2 N4 O18 P4 S4 -","- C74 H98 Dy2 N4 O18 P4 S4 -","- C74 H98 Dy2 N4 O18 P4 S4 -","1","0.5","","Qin, Ye-Hui; Ma, Xiu-Fang; Hou, Xinlan; Huang, Xin-Da; Bao, Song-Song; Tian, Yuxi; Zhang, Yi-Quan; Zheng, Li-Min","Photoresponsive luminescent single-molecule magnets based on dysprosium-anthracene complexes: regulating the de-dimerization temperature of the photocycloaddition product by co-ligand.","Chemical science","2025","16","42","19806","19819","10.1039/d5sc04192a","","","0.71073","MoKα","","0.0913","0.0748","","","0.196","0.22","","","","","","1.037","","","","has coordinates","303629","2025-11-29","18:26:46",""
"1575820","11.51","0.003","12.095","0.004","15.978","0.008","75.029","0.011","77.563","0.011","74.378","0.009","2043.9","1.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H94 Dy2 N4 O18 P4 S4 -","- C72 H94 Dy2 N4 O18 P4 S4 -","- C72 H94 Dy2 N4 O18 P4 S4 -","1","0.5","","Qin, Ye-Hui; Ma, Xiu-Fang; Hou, Xinlan; Huang, Xin-Da; Bao, Song-Song; Tian, Yuxi; Zhang, Yi-Quan; Zheng, Li-Min","Photoresponsive luminescent single-molecule magnets based on dysprosium-anthracene complexes: regulating the de-dimerization temperature of the photocycloaddition product by co-ligand.","Chemical science","2025","16","42","19806","19819","10.1039/d5sc04192a","","","0.71073","MoKα","","0.0457","0.0408","","","0.1049","0.1094","","","","","","1.032","","","","has coordinates,has disorder","303629","2025-11-29","18:26:46",""
"1575821","11.7534","0.0006","11.9133","0.0006","15.7506","0.0008","77.928","0.001","87.062","0.001","73.664","0.001","2069.52","0.18","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H49 Dy N2 O9 P2 S2 -","- C37 H49 Dy N2 O9 P2 S2 -","- C74 H98 Dy2 N4 O18 P4 S4 -","2","1","","Qin, Ye-Hui; Ma, Xiu-Fang; Hou, Xinlan; Huang, Xin-Da; Bao, Song-Song; Tian, Yuxi; Zhang, Yi-Quan; Zheng, Li-Min","Photoresponsive luminescent single-molecule magnets based on dysprosium-anthracene complexes: regulating the de-dimerization temperature of the photocycloaddition product by co-ligand.","Chemical science","2025","16","42","19806","19819","10.1039/d5sc04192a","","","0.71073","MoKα","","0.0519","0.044","","","0.1177","0.1277","","","","","","1.043","","","","has coordinates","303629","2025-11-29","18:26:46",""
"1575822","11.5836","0.0007","12.16","0.0006","15.5974","0.0007","76.572","0.002","78.797","0.002","72.22","0.002","2016.73","0.18","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H94 Dy2 N4 O18 P4 S4 -","- C72 H94 Dy2 N4 O18 P4 S4 -","- C72 H94 Dy2 N4 O18 P4 S4 -","1","0.5","","Qin, Ye-Hui; Ma, Xiu-Fang; Hou, Xinlan; Huang, Xin-Da; Bao, Song-Song; Tian, Yuxi; Zhang, Yi-Quan; Zheng, Li-Min","Photoresponsive luminescent single-molecule magnets based on dysprosium-anthracene complexes: regulating the de-dimerization temperature of the photocycloaddition product by co-ligand.","Chemical science","2025","16","42","19806","19819","10.1039/d5sc04192a","","","0.71073","MoKα","","0.0552","0.0423","","","0.0841","0.0916","","","","","","1.078","","","","has coordinates,has disorder","303629","2025-11-29","18:26:46",""
"1575823","10.3899","0.0006","27.4979","0.0017","15.7602","0.001","90","","90","","90","","4502.7","0.5","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C39 H29 Cl4 Ir N6 S2 -","- C39 H29 Cl4 Ir N6 S2 -","- C156 H116 Cl16 Ir4 N24 S8 -","4","1","","Shum, Justin; Leung, Peter Kam-Keung; Huang, Lili; Lee, Lawrence Cho-Cheung; Yarshova, Maryana; Cheng, Lin; Pan, Yi; Chiang, Michael Wai-Lun; Yiu, Ken Shek-Man; Lau, Kai-Chung; Tang, Ben Zhong; Lo, Kenneth Kam-Wing","Unusual ""mesoionic"" N^S biscyclometallated iridium(iii) polypyridine complexes as photosensitisers for photodynamic therapy and type II immunogenic cell death inducers.","Chemical science","2025","16","44","20931","20941","10.1039/d5sc04772b","","","1.54178","CuKα","","0.0317","0.0301","","","0.0779","0.079","","","","","","1.095","","","","has coordinates,has disorder","303598","2025-11-29","18:14:48",""
"1575824","12.307","0.004","17.002","0.003","18.109","0.004","90","","96.713","0.011","90","","3763.2","1.6","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H28 Cl3 Ir N6 S2 -","- C42.5 H28 Cl3 Ir N6 S2 -","- C170 H112 Cl12 Ir4 N24 S8 -","4","1","","Shum, Justin; Leung, Peter Kam-Keung; Huang, Lili; Lee, Lawrence Cho-Cheung; Yarshova, Maryana; Cheng, Lin; Pan, Yi; Chiang, Michael Wai-Lun; Yiu, Ken Shek-Man; Lau, Kai-Chung; Tang, Ben Zhong; Lo, Kenneth Kam-Wing","Unusual ""mesoionic"" N^S biscyclometallated iridium(iii) polypyridine complexes as photosensitisers for photodynamic therapy and type II immunogenic cell death inducers.","Chemical science","2025","16","44","20931","20941","10.1039/d5sc04772b","","","0.71073","MoKα","","0.0745","0.0463","","","0.103","0.1187","","","","","","1.023","","","","has coordinates,has disorder","303598","2025-11-29","18:14:50",""
"1575825","13.7189","0.0002","17.4229","0.0003","19.5329","0.0004","90","","110.428","0.001","90","","4375.2","0.14","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H31 Cl2 Ir N6 S4 -","- C50 H31 Cl2 Ir N6 S4 -","- C200 H124 Cl8 Ir4 N24 S16 -","4","1","","Shum, Justin; Leung, Peter Kam-Keung; Huang, Lili; Lee, Lawrence Cho-Cheung; Yarshova, Maryana; Cheng, Lin; Pan, Yi; Chiang, Michael Wai-Lun; Yiu, Ken Shek-Man; Lau, Kai-Chung; Tang, Ben Zhong; Lo, Kenneth Kam-Wing","Unusual ""mesoionic"" N^S biscyclometallated iridium(iii) polypyridine complexes as photosensitisers for photodynamic therapy and type II immunogenic cell death inducers.","Chemical science","2025","16","44","20931","20941","10.1039/d5sc04772b","","","1.54178","CuKα","","0.0523","0.0467","","","0.1172","0.1215","","","","","","1.07","","","","has coordinates","303598","2025-11-29","18:14:50",""
"1575826","10.13513","0.00012","6.32967","0.00009","12.14214","0.00015","90","","105.726","0.0013","90","","749.788","0.017","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H16 O2 -","- C21 H16 O2 -","- C42 H32 O4 -","2","1","","Zhan, Shuming; Wang, Chengyu; Duan, Longhui; Gu, Zhenhua","Chiral benzo[2.2.1] α-hydroxyketones from a dirhodium(ii)/bisphosphine-catalyzed desymmetrization addition reaction.","Chemical science","2025","16","41","19397","19402","10.1039/d5sc03779d","","x-ray","1.54184","CuKα","","0.0318","0.0317","","","0.0864","0.0865","","","","","","1.05","","","","has coordinates","303601","2025-11-29","18:16:08",""
"1575827","8.1974","0.0004","13.1816","0.0005","15.5004","0.0006","90","","90","","90","","1674.89","0.12","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C84 H60 N12 O4 -","4","1","","Zhan, Shuming; Wang, Chengyu; Duan, Longhui; Gu, Zhenhua","Chiral benzo[2.2.1] α-hydroxyketones from a dirhodium(ii)/bisphosphine-catalyzed desymmetrization addition reaction.","Chemical science","2025","16","41","19397","19402","10.1039/d5sc03779d","","x-ray","1.54184","CuKα","","0.0725","0.0686","","","0.1942","0.1998","","","","","","1.052","","","","has coordinates","303601","2025-11-29","18:16:10",""
"1575828","5.5251","0.0001","5.5251","0.0001","5.5251","0.0001","90","","90","","90","","168.663","0.005","296","2","296","2","","","","","","","","4","P -4 3 m","P -4 2 3","215","","","","- Cu4 S2.08 Se1.919 Ti -","- Cu3.998 S2.08 Se1.92 Ti -","- Cu3.998 S2.08 Se1.92 Ti -","1","0.0416667","","Li, Qinzhen; Jiang, Tingting; Yang, Sha; Chai, Jinsong; Yu, Haizhu; Zhu, Manzhou","Construction of a homologous series of metal nanoclusters and implications for structure-activity correlations.","Chemical science","2025","16","42","19669","19676","10.1039/d5sc06282a","","x-ray","0.71073","MoKα","","0.0226","0.0192","","","0.0526","0.0542","","","","1.75","1.75","1.67","","","","has coordinates","303628","2025-11-29","18:26:31",""
"1575829","19.876","0.0002","36.5485","0.0004","33.0304","0.0003","90","","105.179","0.001","90","","23157.4","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C193.5 H258 Au24 O P2 S14 -","- C193.5 H258 Au24 O P2 S14 -","- C774 H1032 Au96 O4 P8 S56 -","4","1","","Li, Qinzhen; Jiang, Tingting; Yang, Sha; Chai, Jinsong; Yu, Haizhu; Zhu, Manzhou","Construction of a homologous series of metal nanoclusters and implications for structure-activity correlations.","Chemical science","2025","16","42","19669","19676","10.1039/d5sc06282a","","","1.54186","CuKα","","0.0856","0.0746","","","0.1975","0.2024","","","","","","1.067","","","","has coordinates","303628","2025-11-29","18:26:32",""
"1575830","17.6876","0.0005","21.7743","0.0006","30.2373","0.0007","96.568","0.002","92.621","0.002","91.671","0.002","11550","0.5","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C211 H278 Au22 Cd2 Cl2 O P2 S14 -","- C211 H278 Au22 Cd2 Cl2 O P2 S14 -","- C422 H556 Au44 Cd4 Cl4 O2 P4 S28 -","2","1","","Li, Qinzhen; Jiang, Tingting; Yang, Sha; Chai, Jinsong; Yu, Haizhu; Zhu, Manzhou","Construction of a homologous series of metal nanoclusters and implications for structure-activity correlations.","Chemical science","2025","16","42","19669","19676","10.1039/d5sc06282a","","","1.54186","CuKα","","0.0956","0.039","","","0.066","0.0748","","","","","","0.575","","","","has coordinates","303628","2025-11-29","18:26:33",""
"1575831","4.1319","0.0002","15.3888","0.0007","8.5819","0.0004","90","","101.967","0.002","90","","533.82","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N4 O2 -","- C10 H12 N4 O2 -","- C20 H24 N8 O4 -","2","0.5","","Seyfried, Maximilian D.; Gemen, Julius; Wyszynski, Leonard; Giard, Carl L.; Daniliuc, Constantin G.; Schönhoff, Monika; Doltsinis, Nikos L.; Glorius, Frank; Ravoo, Bart Jan","Azobisheteroarene photoswitches based on isoxazoles and pyrazoles: tunable photostationary states, thermal relaxation and sensitization under confinement.","Chemical science","2025","16","41","19448","19455","10.1039/d5sc04412j","","x-ray","1.54178","CuKα","","0.0342","0.0317","","","0.0865","0.0887","","","","","","1.095","","","","has coordinates","303602","2025-11-29","18:16:21",""
"1575832","20.9217","0.0013","4.4554","0.0002","10.4846","0.0006","90","","90","","90","","977.32","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C36 H40 N16 O8 -","4","1","","Seyfried, Maximilian D.; Gemen, Julius; Wyszynski, Leonard; Giard, Carl L.; Daniliuc, Constantin G.; Schönhoff, Monika; Doltsinis, Nikos L.; Glorius, Frank; Ravoo, Bart Jan","Azobisheteroarene photoswitches based on isoxazoles and pyrazoles: tunable photostationary states, thermal relaxation and sensitization under confinement.","Chemical science","2025","16","41","19448","19455","10.1039/d5sc04412j","","x-ray","0.71073","MoKα","","0.0332","0.0306","","","0.078","0.0801","","","","","","1.035","","","","has coordinates","303602","2025-11-29","18:16:21",""
"1575833","5.3862","0.0002","6.801","0.0003","24.9772","0.0013","90","","91.998","0.004","90","","914.4","0.07","109.95","0.1","109.95","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O2 S -","- C10 H12 O2 S -","- C40 H48 O8 S4 -","4","1","","Downes, Thomas D.; Jones, S. Paul; Firth, James D.; Darby, John F.; Gilio, Amelia K.; Klein, Hanna F.; Wang, Xinyu; Blakemore, David C.; De Fusco, Claudia; Roughley, Stephen D.; Vidler, Lewis R.; Whatton, Maria Ann; Woolford, Alison J.-A.; Wrigley, Gail L.; Hubbard, Roderick E.; Wu, Liang; Davies, Gideon J.; O'Brien, Peter","Design, modular synthesis and screening of 58 shape-diverse 3-D fragments.","Chemical science","2025","16","42","20030","20041","10.1039/d5sc05819h","","x-ray","1.54184","CuKα","","0.0361","0.0306","","","0.0731","0.0781","","","","","","1.032","","","","has coordinates,has disorder","303638","2025-11-29","18:30:12",""
"1575834","5.6368","0.0005","11.7599","0.0008","15.6467","0.0012","68.397","0.007","86.839","0.007","87.855","0.006","962.71","0.14","110","0.1","110","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 F O3 -","- C11 H11 F O3 -","- C44 H44 F4 O12 -","4","2","","Downes, Thomas D.; Jones, S. Paul; Firth, James D.; Darby, John F.; Gilio, Amelia K.; Klein, Hanna F.; Wang, Xinyu; Blakemore, David C.; De Fusco, Claudia; Roughley, Stephen D.; Vidler, Lewis R.; Whatton, Maria Ann; Woolford, Alison J.-A.; Wrigley, Gail L.; Hubbard, Roderick E.; Wu, Liang; Davies, Gideon J.; O'Brien, Peter","Design, modular synthesis and screening of 58 shape-diverse 3-D fragments.","Chemical science","2025","16","42","20030","20041","10.1039/d5sc05819h","","x-ray","1.54184","CuKα","","0.0517","0.04","","","0.0969","0.1047","","","","","","1.035","","","","has coordinates","303638","2025-11-29","18:30:13",""
"1575835","5.6964","0.0017","8.141","0.003","17.53","0.005","90","","95.008","0.009","90","","809.8","0.4","118.67","","118.67","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N S -","- C20 H19 N S -","- C40 H38 N2 S2 -","2","1","","Head, Joshua F.; Schubert, Tanner J.; Zhao, Biyu; Dong, Yuyang","Cu-catalyzed enantioconvergent deborylative alkynylation.","Chemical science","2025","16","43","20382","20388","10.1039/d5sc04733a","","","0.71073","MoKα","","0.1173","0.0666","","","0.1385","0.1619","","","","","","1.034","","","","has coordinates,has disorder","303612","2025-11-29","18:20:28",""
"1575836","30.1685","0.0017","4.6266","0.0003","16.5136","0.0009","90","","110.08","0.002","90","","2164.8","0.2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H15 F9 O -","- C25 H15 F9 O -","- C100 H60 F36 O4 -","4","1","","Head, Joshua F.; Schubert, Tanner J.; Zhao, Biyu; Dong, Yuyang","Cu-catalyzed enantioconvergent deborylative alkynylation.","Chemical science","2025","16","43","20382","20388","10.1039/d5sc04733a","","","1.54178","CuKα","","0.0623","0.0615","","","0.1649","0.166","","","","","","1.035","","","","has coordinates,has disorder","303612","2025-11-29","18:20:29",""
"1575837","22.8695","0.0006","9.7003","0.0002","30.5929","0.0009","90","","104.738","0.001","90","","6563.5","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C79 H70 B Cl3 N5 -","- C79 H70 B Cl3 N5 -","- C316 H280 B4 Cl12 N20 -","4","1","","Xu, Shipan; Liu, Wenping; Yan, An; Du, Xuyang; Sun, Yuanhui; Tao, Junfei; Zhou, Guijiang; Chen, Zhao; Yang, Xiaolong","Enhancing the reverse intersystem crossing (RISC) rates and efficiencies of MR-TADF emitters with a U-shaped molecular structure for solution-processed OLEDs.","Chemical science","2025","16","42","19956","19966","10.1039/d5sc04507j","","","0.71073","MoKα","","0.131","0.0875","","","0.2576","0.2927","","","","","","1.096","","","","has coordinates,has disorder","303625","2025-11-29","18:25:42",""
"1575838","16.5112","0.0009","18.8723","0.001","21.3924","0.0011","104.317","0.002","109.622","0.002","92.396","0.002","6026.7","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C75 H67 B Cl3 N3 -","- C75 H67 B Cl3 N3 -","- C300 H268 B4 Cl12 N12 -","4","2","","Xu, Shipan; Liu, Wenping; Yan, An; Du, Xuyang; Sun, Yuanhui; Tao, Junfei; Zhou, Guijiang; Chen, Zhao; Yang, Xiaolong","Enhancing the reverse intersystem crossing (RISC) rates and efficiencies of MR-TADF emitters with a U-shaped molecular structure for solution-processed OLEDs.","Chemical science","2025","16","42","19956","19966","10.1039/d5sc04507j","","","1.54178","CuKα","","0.0882","0.0678","","","0.1998","0.2206","","","","","","1.081","","","","has coordinates,has disorder","303625","2025-11-29","18:25:42",""
"1575839","19.1191","0.001","20.9455","0.0009","25.3986","0.0013","81.8176","0.0015","84.3596","0.0017","70.9076","0.0014","9499.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C474 H448 Au10 Cl8 O10 -","- C466 H430 Au10 Cl4 O10 -","- C466 H430 Au10 Cl4 O10 -","1","0.5","","Hsu, Ying-Feng; Cheng, Shih-Ying; Cheng, Che-An; Kang, Yu-Hsuan; Liu, Yi-Hung; Kong, Kien Voon; Yang, Jye-Shane","Assembly-dependent thermochromic and photochromic luminescence in pentiptycene-based homoleptic gold(I) alkynyl clusters [(AuCCR)<sub><i>n</i></sub>].","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15581","15587","10.1039/d5dt02075a","","","0.71073","MoKα","","0.0614","0.0486","","","0.158","0.1725","","","","","","1.253","","","","has coordinates","303737","2025-11-29","20:16:19",""
"1575840","19.0646","0.0013","21.1749","0.0014","30.677","0.002","81.7348","0.0018","79.7347","0.0016","72.6396","0.0016","11576.5","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C280 H258 Au6 Cl8 O6 -","- C276 H250 Au6 O6 -","- C552 H500 Au12 O12 -","2","1","","Hsu, Ying-Feng; Cheng, Shih-Ying; Cheng, Che-An; Kang, Yu-Hsuan; Liu, Yi-Hung; Kong, Kien Voon; Yang, Jye-Shane","Assembly-dependent thermochromic and photochromic luminescence in pentiptycene-based homoleptic gold(I) alkynyl clusters [(AuCCR)<sub><i>n</i></sub>].","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15581","15587","10.1039/d5dt02075a","","","0.71073","MoKα","","0.0567","0.0425","","","0.1426","0.1559","","","","","","1.157","","","","has coordinates,has disorder","303737","2025-11-29","20:16:20",""
"1575841","9.3612","0.0004","10.4559","0.0004","24.2055","0.001","79.16","0.002","85.944","0.002","80.855","0.002","2295.34","0.16","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H54 Br Mn O6 P2 -","- C49 H54 Br Mn O6 P2 -","- C98 H108 Br2 Mn2 O12 P4 -","2","1","","Jiménez, Verónica; González, Carmen; Serrano, Joaquín López; Fernández de Córdova, Francisco; Pizzano, Antonio","Non-bifunctional Mn catalysts based on phosphine–phosphites for the hydrogenation of carbonyl substrates","Catalysis Science & Technology","2025","15","22","6666","6677","10.1039/D5CY00906E","","x-ray","0.71073","MoKα","","0.0547","0.0343","","","0.0717","0.0816","","","","","","1.052","","","","has coordinates,has disorder","303501","2025-11-29","17:07:15",""
"1575842","10.2433","0.0006","11.4047","0.0007","16.4484","0.0009","89.432","0.002","81.031","0.002","69.392","0.002","1774.48","0.18","300","2","300.01","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 S -","- C22 H16 N2 S -","- C88 H64 N8 S4 -","4","2","","Wang, Yuhao; Li, Li; Zhao, Quansheng; Gao, Pengming; Guo, Kaiyue; Zhang, Jitan; Wu, Jiaping","Rh(III)-catalyzed oxidative C-H cross-coupling between indoles and thiophenes/furanes.","Chemical communications (Cambridge, England)","2025","61","88","17213","17216","10.1039/d5cc04882f","","","0.71073","MoKα","","0.0742","0.0544","","","0.1364","0.1553","","","","","","1.035","","","","has coordinates","303538","2025-11-29","17:43:38",""
"1575843","9.8643","0.0003","15.3347","0.0003","23.6263","0.0005","90","","90","","90","","3573.86","0.15","193","","193","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C37 H23 Br2 Cl3 N2 O8 -","- C37 H23 Br2 Cl3 N2 O8 -","- C148 H92 Br8 Cl12 N8 O32 -","4","0.5","","Yang, Yang; Bai, Guishun; Qin, Mengmeng; Wang, Juelian; Yang, Yihuan; Wang, Hong; Bonne, Damien; Rodriguez, Jean; Bao, Xiaoze","Atroposelective synthesis of sterically hindered stereochemically complex BINOL derivatives <i>via</i> central-to-axial chirality induction.","Chemical science","2025","16","41","19342","19349","10.1039/d5sc05212b","","x-ray","1.34139","GaKα","","0.052","0.0388","","","0.0839","0.0903","","","","","","1.036","","","","has coordinates,has disorder","303604","2025-11-29","18:16:46",""
"1575844","10.9974","0.0006","14.065","0.0008","18.8512","0.0011","90","","90","","90","","2915.9","0.3","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H22 N2 O8 -","- C36 H22 N2 O8 -","- C144 H88 N8 O32 -","4","1","","Yang, Yang; Bai, Guishun; Qin, Mengmeng; Wang, Juelian; Yang, Yihuan; Wang, Hong; Bonne, Damien; Rodriguez, Jean; Bao, Xiaoze","Atroposelective synthesis of sterically hindered stereochemically complex BINOL derivatives <i>via</i> central-to-axial chirality induction.","Chemical science","2025","16","41","19342","19349","10.1039/d5sc05212b","","x-ray","1.34139","GaKα","","0.0403","0.0338","","","0.0804","0.084","","","","","","1.071","","","","has coordinates","303604","2025-11-29","18:16:47",""
"1575845","9.8612","0.0009","34.138","0.003","9.8708","0.0009","90","","117.418","0.003","90","","2949.7","0.5","150.15","","150.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C73 H43 Cl3 N2 O12 -","- C73 H43 Cl3 N2 O12 -","- C146 H86 Cl6 N4 O24 -","2","1","","Yang, Yang; Bai, Guishun; Qin, Mengmeng; Wang, Juelian; Yang, Yihuan; Wang, Hong; Bonne, Damien; Rodriguez, Jean; Bao, Xiaoze","Atroposelective synthesis of sterically hindered stereochemically complex BINOL derivatives <i>via</i> central-to-axial chirality induction.","Chemical science","2025","16","41","19342","19349","10.1039/d5sc05212b","","","1.54178","CuKα","","0.0815","0.0721","","","0.2054","0.2149","","","","","","1.073","","","","has coordinates","303604","2025-11-29","18:16:47",""
"1575846","10.0767","0.0002","14.0462","0.0003","18.0179","0.0004","90","","90","","90","","2550.24","0.09","193","","193","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H22 O4 -","- C36 H22 O4 -","- C144 H88 O16 -","4","1","","Yang, Yang; Bai, Guishun; Qin, Mengmeng; Wang, Juelian; Yang, Yihuan; Wang, Hong; Bonne, Damien; Rodriguez, Jean; Bao, Xiaoze","Atroposelective synthesis of sterically hindered stereochemically complex BINOL derivatives <i>via</i> central-to-axial chirality induction.","Chemical science","2025","16","41","19342","19349","10.1039/d5sc05212b","","x-ray","1.54178","CuKα","","0.0385","0.0318","","","0.0828","0.0874","","","","","","1.05","","","","has coordinates","303604","2025-11-29","18:16:47",""
"1575847","8.7241","0.0003","12.3618","0.0004","13.4942","0.0005","87.065","0.003","81.11","0.003","88.302","0.003","1435.57","0.09","150.1","0.1","150.1","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C63 H56 B2 Cl2 Ir2 N10 O5 -","- C63 H56 B2 Cl2 Ir2 N10 O5 -","- C63 H56 B2 Cl2 Ir2 N10 O5 -","1","0.5","","Rahman, Rahad; Quazi, Nurul H.; White, Keith F.; Saker Neto, Nicolau; Hong, Yuning; Maeder, Marcel; Wilson, David J. D.; Barnard, Peter J.","Luminescent iridium(III) complexes bearing boronic acid groups: potential sensors for carbohydrates.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15609","15622","10.1039/d5dt01291k","","","1.54184","CuKα","","0.0307","0.027","","","0.0691","0.0709","","","","","","1.071","","","","has coordinates","303735","2025-11-29","20:14:45",""
"1575848","9.6676","0.0001","10.6981","0.0002","17.9209","0.0002","95.107","0.001","95.382","0.001","109.147","0.001","1729.02","0.04","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H35.5 B Cl Ir N7 O2.75 -","- C35 H28 B Cl Ir N7 O2 -","- C70 H56 B2 Cl2 Ir2 N14 O4 -","2","1","","Rahman, Rahad; Quazi, Nurul H.; White, Keith F.; Saker Neto, Nicolau; Hong, Yuning; Maeder, Marcel; Wilson, David J. D.; Barnard, Peter J.","Luminescent iridium(III) complexes bearing boronic acid groups: potential sensors for carbohydrates.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15609","15622","10.1039/d5dt01291k","","","1.54184","CuKα","","0.0339","0.033","","","0.0839","0.0844","","","","","","1.074","","","","has coordinates,has disorder","303735","2025-11-29","20:14:48",""
"1575849","10.7251","0.0004","12.7202","0.0004","14.1482","0.0005","83.623","0.003","83.148","0.003","87.278","0.003","1903.38","0.12","190","0.1","190","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C39 H38 B Cl Ir N7 O3 -","- C35 H28 B Cl Ir N7 O2 -","- C70 H56 B2 Cl2 Ir2 N14 O4 -","2","1","","Rahman, Rahad; Quazi, Nurul H.; White, Keith F.; Saker Neto, Nicolau; Hong, Yuning; Maeder, Marcel; Wilson, David J. D.; Barnard, Peter J.","Luminescent iridium(III) complexes bearing boronic acid groups: potential sensors for carbohydrates.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15609","15622","10.1039/d5dt01291k","","","1.54184","CuKα","","0.067","0.0598","","","0.16","0.1662","","","","","","1.042","","","","has coordinates","303735","2025-11-29","20:14:48",""
"1575850","20.8761","0.0001","20.8761","0.0001","12.9304","0.0003","90","","90","","90","","5635.22","0.14","149.99","0.1","149.99","0.1","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C27 H24 B Cl Ir N7 O2 -","- C27 H24 B Cl Ir N7 O2 -","- C216 H192 B8 Cl8 Ir8 N56 O16 -","8","0.5","","Rahman, Rahad; Quazi, Nurul H.; White, Keith F.; Saker Neto, Nicolau; Hong, Yuning; Maeder, Marcel; Wilson, David J. D.; Barnard, Peter J.","Luminescent iridium(III) complexes bearing boronic acid groups: potential sensors for carbohydrates.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15609","15622","10.1039/d5dt01291k","","x-ray","1.54184","CuKα","","0.0399","0.0381","","","0.0762","0.0773","","","","","","1.28","","","","has coordinates,has disorder","303735","2025-11-29","20:14:48",""
"1575851","32.56","0.005","6.5554","0.0006","25.584","0.005","90","","90","","90","","5460.7","1.4","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C36 H18 F2 S3 -","- C36 H18 F2 S3 -","- C288 H144 F16 S24 -","8","0.5","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","","0.71073","MoKα","","0.022","0.0214","","","0.0561","0.0567","","","","","","1.096","","","","has coordinates,has disorder","303606","2025-11-29","18:17:27",""
"1575852","6.1063","0.001","17.36","0.003","24.441","0.004","90","","90.808","0.004","90","","2590.6","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H18 F2 S3 -","- C36 H18 F2 S3 -","- C144 H72 F8 S12 -","4","1","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","0.71073","MoKα","","0.0464","0.0379","","","0.0916","0.0979","","","","","","1.06","","","","has coordinates","303606","2025-11-29","18:17:27",""
"1575853","16.6491","0.0005","7.9062","0.0002","24.9766","0.0008","90","","97.027","0.002","90","","3263","0.17","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C77 H38 Cl2 F12 S6 -","- C76.999 H37.998 Cl1.998 F12 S6 -","- C153.998 H75.996 Cl3.996 F24 S12 -","2","1","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","1.54178","CuKα","","0.041","0.0384","","","0.0994","0.1022","","","","","","1.032","","","","has coordinates,has disorder","303606","2025-11-29","18:17:27",""
"1575854","16.2789","0.0018","15.3827","0.0016","11.4782","0.0011","90","","101.692","0.004","90","","2814.7","0.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 O2 S3 -","- C38 H24 O2 S3 -","- C152 H96 O8 S12 -","4","0.5","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","0.71073","MoKα","","0.0378","0.0332","","","0.0836","0.0873","","","","","","1.045","","","","has coordinates","303606","2025-11-29","18:17:27",""
"1575855","8.9156","0.0004","25.971","0.0014","13.2783","0.0007","90","","100.978","0.001","90","","3018.3","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H22 Br2 O2 S3 -","- C38 H22.54 Br2.0391 O2 S3 -","- C152 H90.16 Br8.1564 O8 S12 -","4","1","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","0.71073","MoKα","","0.035","0.0293","","","0.0735","0.0762","","","","","","1.027","","","","has coordinates,has disorder","303606","2025-11-29","18:17:27",""
"1575856","11.8299","0.0007","12.3531","0.001","13.52","0.0011","101.759","0.002","107.913","0.002","105.919","0.002","1715.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 Br2.03 O2 S3 -","- C44 H28 Br2.0244 O2 S3 -","- C88 H56 Br4.0488 O4 S6 -","2","1","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","0.71073","MoKα","","0.0346","0.0287","","","0.0718","0.0753","","","","","","1.025","","","","has coordinates,has disorder","303606","2025-11-29","18:17:27",""
"1575857","13.2828","0.0015","14.2038","0.0009","18.067","0.002","67.511","0.002","73.705","0.002","86.208","0.003","3019.6","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H18 F6 S3 -","- C38 H18 F6 S3 -","- C152 H72 F24 S12 -","4","2","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","0.71073","MoKα","","0.0435","0.0347","","","0.0886","0.0953","","","","","","1.033","","","","has coordinates,has disorder","303606","2025-11-29","18:17:27",""
"1575858","13.864","0.0018","21.852","0.002","24.844","0.003","90","","103.597","0.004","90","","7315.7","1.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 Cl6 O2 S3 -","- C40 H26 Cl6 O2 S3 -","- C320 H208 Cl48 O16 S24 -","8","2","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","0.71073","MoKα","","0.0604","0.0438","","","0.0973","0.1063","","","","","","1.049","","","","has coordinates,has disorder","303606","2025-11-29","18:17:27",""
"1575859","9.7807","0.0002","12.8377","0.0002","20.0417","0.0004","90","","90","","90","","2516.47","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 N3 O2 -","- C32 H23 N3 O2 -","- C128 H92 N12 O8 -","4","1","","He, Jun; Yang, Zun; Lin, Lili; Feng, Xiaoming","Enantioselective synthesis of C-C and C-N axially chiral pyrazole-based heterobiaryls.","Chemical science","2025","16","42","20021","20029","10.1039/d5sc06841j","","","1.54178","CuKα","","0.0361","0.0337","","","0.0835","0.0855","","","","","","1.035","","","","has coordinates","303636","2025-11-29","18:29:46",""
"1575860","11.3478","0.0002","11.1173","0.0002","14.7905","0.0003","90","","100.988","0.001","90","","1831.72","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O3 S -","- C22 H16 N2 O3 S -","- C88 H64 N8 O12 S4 -","4","1","","He, Jun; Yang, Zun; Lin, Lili; Feng, Xiaoming","Enantioselective synthesis of C-C and C-N axially chiral pyrazole-based heterobiaryls.","Chemical science","2025","16","42","20021","20029","10.1039/d5sc06841j","","","0.71073","MoKα","","0.0466","0.037","","","0.0887","0.0958","","","","","","1.039","","","","has coordinates","303636","2025-11-29","18:29:46",""
"1575861","10.3004","0.0006","12.8214","0.0007","20.1111","0.0011","90","","90","","90","","2656","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H24 N4 O3 -","- C32 H24 N4 O3 -","- C128 H96 N16 O12 -","4","1","","He, Jun; Yang, Zun; Lin, Lili; Feng, Xiaoming","Enantioselective synthesis of C-C and C-N axially chiral pyrazole-based heterobiaryls.","Chemical science","2025","16","42","20021","20029","10.1039/d5sc06841j","","","1.54178","CuKα","","0.028","0.0272","","","0.0667","0.0674","","","","","","1.056","","","","has coordinates","303636","2025-11-29","18:29:46",""
"1575862","9.4969","0.0002","11.5694","0.0003","12.2031","0.0003","93.947","0.001","96.958","0.001","96.723","0.001","1317.08","0.05","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C64 H52 N8 O6 -","- C64 H52 N8 O6 -","- C64 H52 N8 O6 -","1","1","","He, Jun; Yang, Zun; Lin, Lili; Feng, Xiaoming","Enantioselective synthesis of C-C and C-N axially chiral pyrazole-based heterobiaryls.","Chemical science","2025","16","42","20021","20029","10.1039/d5sc06841j","","","1.54178","CuKα","","0.0291","0.0281","","","0.0707","0.0717","","","","","","1.03","","","","has coordinates,has disorder","303636","2025-11-29","18:29:46",""
"1575863","16.7306","0.0002","8.779","0.0001","24.8572","0.0003","90","","109.06","0.001","90","","3450.82","0.07","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 Cl2 N4 O4 -","- C42 H32 Cl2 N4 O4 -","- C168 H128 Cl8 N16 O16 -","4","1","","Lin, Yun-Hsien; Wang, Xiqu; Szczepanik, Dariusz W.; Wieczorkiewicz, Paweł A; Miljanić, Ognjen Š","Inverted azolophanes: alternant <i>o</i>-heteroarene/<i>p</i>-arene macrocycles.","Chemical science","2025","16","42","19967","19972","10.1039/d5sc05981j","","","1.54178","CuKα","","0.0429","0.0399","","","0.1171","0.1197","","","","","","1.08","","","","has coordinates,has disorder","303634","2025-11-29","18:28:41",""
"1575864","10.4421","0.0003","15.656","0.0004","21.4219","0.0005","74.348","0.002","75.957","0.002","78.119","0.002","3234.27","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H74 F4 N10 O6 -","- C74 H74 F4 N10 O6 -","- C148 H148 F8 N20 O12 -","2","1","","Lin, Yun-Hsien; Wang, Xiqu; Szczepanik, Dariusz W.; Wieczorkiewicz, Paweł A; Miljanić, Ognjen Š","Inverted azolophanes: alternant <i>o</i>-heteroarene/<i>p</i>-arene macrocycles.","Chemical science","2025","16","42","19967","19972","10.1039/d5sc05981j","","","1.54178","CuKα","","0.0875","0.0562","","","0.1494","0.1714","","","","","","1.045","","","","has coordinates,has disorder","303634","2025-11-29","18:28:43",""
"1575865","31.9415","0.0008","9.5284","0.0003","32.2718","0.0009","90","","117.757","0.002","90","","8691.8","0.5","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C79 H79.8 N11 O9 -","- C79 H79.798 N11 O9 -","- C316 H319.192 N44 O36 -","4","1","","Lin, Yun-Hsien; Wang, Xiqu; Szczepanik, Dariusz W.; Wieczorkiewicz, Paweł A; Miljanić, Ognjen Š","Inverted azolophanes: alternant <i>o</i>-heteroarene/<i>p</i>-arene macrocycles.","Chemical science","2025","16","42","19967","19972","10.1039/d5sc05981j","","","1.54178","CuKα","","0.1737","0.0899","","","0.193","0.229","","","","","","1.129","","","","has coordinates,has disorder","303634","2025-11-29","18:28:43",""
"1575866","15.6863","0.0004","19.4786","0.0005","21.1524","0.0004","62.946","0.001","78.805","0.002","86.651","0.002","5643","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C97.5 H67 N8 O2.75 -","- C97.5128 H67.0256 N8 O2.7564 -","- C195.026 H134.051 N16 O5.5128 -","2","1","","Lin, Yun-Hsien; Wang, Xiqu; Szczepanik, Dariusz W.; Wieczorkiewicz, Paweł A; Miljanić, Ognjen Š","Inverted azolophanes: alternant <i>o</i>-heteroarene/<i>p</i>-arene macrocycles.","Chemical science","2025","16","42","19967","19972","10.1039/d5sc05981j","","","1.54178","CuKα","","0.0851","0.0711","","","0.2284","0.2452","","","","","","1.063","","","","has coordinates,has disorder","303634","2025-11-29","18:28:43",""
"1575867","14.7923","0.0004","22.1907","0.0006","20.6091","0.0005","90","","95.371","0.002","90","","6735.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H68 N8 O9 -","- C69 H68 N8 O9 -","- C276 H272 N32 O36 -","4","1","","Lin, Yun-Hsien; Wang, Xiqu; Szczepanik, Dariusz W.; Wieczorkiewicz, Paweł A; Miljanić, Ognjen Š","Inverted azolophanes: alternant <i>o</i>-heteroarene/<i>p</i>-arene macrocycles.","Chemical science","2025","16","42","19967","19972","10.1039/d5sc05981j","","","1.54178","CuKα","","0.0595","0.0539","","","0.1507","0.1566","","","","","","1.041","","","","has coordinates","303634","2025-11-29","18:28:43",""
"1575868","10.5545","0.0005","13.9466","0.0008","14.0437","0.0008","61.106","0.006","83.437","0.004","84.556","0.004","1796.2","0.2","169.98","0.1","169.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C44 H24 N12 O2 -","- C44 H24 N12 O2 -","- C88 H48 N24 O4 -","2","1","","Zheng, Canze; Zhu, Liwei; Zhang, Jianyu; Deng, Xin; Zhong, Zhengyao; He, Xiang; Zhang, Qiaoyun; Liu, Junkai; Meng, Miao; Lam, Jacky W. Y.; Li, Ying; Chen, Ming; Tang, Ben Zhong","An acceptor motor-driven electronic donor-acceptor supramolecular scaffold towards imaging-guided tumor therapy.","Chemical science","2025","16","42","20048","20060","10.1039/d5sc05770a","","x-ray","1.54184","CuKα","","0.0621","0.054","","","0.1442","0.1578","","","","","","1.046","","","","has coordinates","303631","2025-11-29","18:27:23",""
"1575869","7.2462","0.0003","10.5982","0.0005","21.3799","0.001","91.983","0.004","91.45","0.004","92.672","0.004","1638.54","0.13","169.99","0.1","169.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C38 H12 N12 -","- C38 H12 N12 -","- C76 H24 N24 -","2","1","","Zheng, Canze; Zhu, Liwei; Zhang, Jianyu; Deng, Xin; Zhong, Zhengyao; He, Xiang; Zhang, Qiaoyun; Liu, Junkai; Meng, Miao; Lam, Jacky W. Y.; Li, Ying; Chen, Ming; Tang, Ben Zhong","An acceptor motor-driven electronic donor-acceptor supramolecular scaffold towards imaging-guided tumor therapy.","Chemical science","2025","16","42","20048","20060","10.1039/d5sc05770a","","x-ray","1.54184","CuKα","","0.0727","0.0592","","","0.1735","0.1842","","","","","","1.076","","","","has coordinates,has disorder","303631","2025-11-29","18:27:24",""
"1575870","10.3821","0.0002","27.7393","0.0005","11.5669","0.0002","90","","102.05","0.001","90","","3257.78","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 N9 O6 -","- C36 H33 N9 O6 -","- C144 H132 N36 O24 -","4","1","","Izquierdo, Ignacio; Martínez-Castro, Laura; Ujaque, Gregori; Martínez-Martínez, Antonio J","Cooperative reversible assembly in triply interlocked Al<sub>6</sub>L<sub>4</sub> and Ga<sub>6</sub>L<sub>4</sub> cages.","Chemical science","2025","16","43","20406","20413","10.1039/d5sc05441a","","","0.71073","MoKα","","0.0654","0.0593","","","0.1491","0.1533","","","","","","1.127","","","","has coordinates","303623","2025-11-29","18:25:04",""
"1575871","21.3348","0.0004","21.5438","0.0004","21.7803","0.0004","78.682","0.001","78.712","0.001","81.95","0.001","9572.5","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C144.75 H155.1 Ga6 K9 N36 O58.05 -","- C144.75 H151 Ga6 K9.0004 N36 O56 -","- C289.5 H302 Ga12 K18.0008 N72 O112 -","2","1","","Izquierdo, Ignacio; Martínez-Castro, Laura; Ujaque, Gregori; Martínez-Martínez, Antonio J","Cooperative reversible assembly in triply interlocked Al<sub>6</sub>L<sub>4</sub> and Ga<sub>6</sub>L<sub>4</sub> cages.","Chemical science","2025","16","43","20406","20413","10.1039/d5sc05441a","","x-ray","0.71073","MoKα","","0.056","0.0489","","","0.147","0.1536","","","","","","1.04","","","","has coordinates,has disorder","303623","2025-11-29","18:25:06",""
"1575872","10.7223","0.0001","13.6952","0.0002","27.6926","0.0003","90","","90","","90","","4066.49","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O -","- C24 H32 N2 O -","- C192 H256 N16 O8 -","8","2","","Guan, Chun-Yan; Lu, Tao; Li, Ya; Liu, Chao-Hua; Xiao, Xiao; Mei, Guang-Jian","Catalytic enantioselective construction of two N-stereogenic centers of <i>ethano</i>- and <i>propano</i>-Tröger's bases.","Chemical science","2025","16","42","19683","19693","10.1039/d5sc05846e","","x-ray","1.54178","CuKα","","0.0418","0.0363","","","0.0935","0.0963","","","","","","1.058","","","","has coordinates","303637","2025-11-29","18:29:59",""
"1575873","22.9846","0.0004","6.2591","0.0001","11.5085","0.0002","90","","104.643","0.001","90","","1601.87","0.05","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Guan, Chun-Yan; Lu, Tao; Li, Ya; Liu, Chao-Hua; Xiao, Xiao; Mei, Guang-Jian","Catalytic enantioselective construction of two N-stereogenic centers of <i>ethano</i>- and <i>propano</i>-Tröger's bases.","Chemical science","2025","16","42","19683","19693","10.1039/d5sc05846e","","x-ray","1.54178","CuKα","","0.0375","0.0359","","","0.0925","0.094","","","","","","1.051","","","","has coordinates","303637","2025-11-29","18:30:02",""
"1575874","7.8403","0.0011","10.3493","0.0013","11.6156","0.0016","96.969","0.004","99.16","0.004","106.54","0.004","878","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C40 H50 N2 O4 -","2","1","","Paul, Hrishikesh; Chakraborty, Arijit; Mandal, Animesh; Das, Dibyangshu; Mahapatra, Sanat Kumar; Roy, Lisa; Chatterjee, Indranil","Electron donor-acceptor complex offers a diverse approach for carbonyl alkylative amination.","Chemical science","2025","16","42","20061","20072","10.1039/d5sc04087f","","x-ray","0.71073","MoKα","","0.0604","0.055","","","0.1389","0.1427","","","","","","1.094","","","","has coordinates","303627","2025-11-29","18:26:02",""
"1575876","13.0013","0.0004","13.0013","0.0004","9.349","0.0004","90","","90","","120","","1368.58","0.08","100","2","100","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C3 H1.5 N1.5 O4.5 -","- C3 H1.5 N1.5 O4.5 -","- C36 H18 N18 O54 -","12","1","","Karak, Shayan; Khata, Soubhik; Ahmad, Shamim; Yadav, Abhishek Kumar; AlMasoud, Najla; Alomar, Taghrid S.; Dharavath, Srinivas; Reddy, C. Malla; Banerjee, Rahul","Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks.","Chemical science","2025","16","45","21508","21517","10.1039/d5sc04870b","","","0.71073","MoKα","","0.0391","0.0369","","","0.0863","0.0879","","","","","","1.09","","","","has coordinates","303666","2025-11-29","18:42:46",""
"1575877","9.7828","0.0015","9.7828","0.0015","11.823","0.002","90","","90","","120","","979.9","0.3","263","","263","","","","","","","","","5","P 31","P 31","144","","K-TNPG","","- C6 H0.33 K3 N3 O11 -","- C6 H4 K3 N3 O11 -","- C18 H12 K9 N9 O33 -","3","1","","Karak, Shayan; Khata, Soubhik; Ahmad, Shamim; Yadav, Abhishek Kumar; AlMasoud, Najla; Alomar, Taghrid S.; Dharavath, Srinivas; Reddy, C. Malla; Banerjee, Rahul","Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks.","Chemical science","2025","16","45","21508","21517","10.1039/d5sc04870b","","","0.71073","MoKα","","0.062","0.0541","","","0.1259","0.1326","","","","","","1.025","","","","has coordinates","303666","2025-11-29","18:42:47",""
"1575878","3.3844","0.0003","13.7682","0.0015","22.793","0.003","85.45","0.003","85.74","","82.94","","1048.5","0.2","304","2","304","","","","","","","","","5","P -1","-P 1","2","","Li-TNPG","","- C12 H6.8 Li6 N6 O21.4 -","- C12 Li6 N6 O18 -","- C24 Li12 N12 O36 -","2","1","","Karak, Shayan; Khata, Soubhik; Ahmad, Shamim; Yadav, Abhishek Kumar; AlMasoud, Najla; Alomar, Taghrid S.; Dharavath, Srinivas; Reddy, C. Malla; Banerjee, Rahul","Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks.","Chemical science","2025","16","45","21508","21517","10.1039/d5sc04870b","","","0.71073","MoKα","","0.1033","0.0667","","","0.1825","0.218","","","","","","1.13","","","","has coordinates","303666","2025-11-29","18:42:47",""
"1575879","12.1937","0.0002","12.6249","0.0002","6.7246","0.0001","90","","94.218","0.002","90","","1032.41","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Mixed MOF","","- C6 H2 K0.99 Li2 N3 O10 -","- C6 H2 K0.989 Li2 N3 O10 -","- C24 H8 K3.956 Li8 N12 O40 -","4","1","","Karak, Shayan; Khata, Soubhik; Ahmad, Shamim; Yadav, Abhishek Kumar; AlMasoud, Najla; Alomar, Taghrid S.; Dharavath, Srinivas; Reddy, C. Malla; Banerjee, Rahul","Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks.","Chemical science","2025","16","45","21508","21517","10.1039/d5sc04870b","","x-ray","1.54184","CuKα","","0.0446","0.0415","","","0.126","0.1297","","","","","","1.0441","","","","has coordinates","303666","2025-11-29","18:42:47",""
"1575880","13.5292","0.0013","25.354","0.002","3.386","0.0003","90","","90","","90","","1161.46","0.18","100","","100","","","","","","","","","5","P b a 2","P 2 -2ab","32","","Na-TNPG","","- C6 H4 N3 Na3.05 O11 -","- C6 H4 N3 Na3.05 O11 -","- C24 H16 N12 Na12.2 O44 -","4","1","","Karak, Shayan; Khata, Soubhik; Ahmad, Shamim; Yadav, Abhishek Kumar; AlMasoud, Najla; Alomar, Taghrid S.; Dharavath, Srinivas; Reddy, C. Malla; Banerjee, Rahul","Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks.","Chemical science","2025","16","45","21508","21517","10.1039/d5sc04870b","","","0.71073","MoKα","","0.0626","0.0617","","","0.143","0.1437","","","","","","1.0558","","","","has coordinates","303666","2025-11-29","18:42:47",""
"1575881","10.8371","0.0002","11.6905","0.0002","12.3737","0.0003","105.871","0.002","90.048","0.002","100.228","0.002","1481.9","0.05","120","1","120","1","","","","","","","","3","P 1","P 1","1","","","","- C34 H40 P2 -","- C34 H40 P2 -","- C68 H80 P4 -","2","2","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0509","0.0478","","","0.1225","0.1266","","","","","","1.025","","","","has coordinates,has disorder","303614","2025-11-29","18:21:31",""
"1575882","10.3156","0.0002","11.7343","0.0002","23.0477","0.0005","85.394","0.002","79.22","0.002","89.6","0.001","2731.66","0.09","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H52 Cl16 P2 -","- C40 H52 Cl16 P2 -","- C80 H104 Cl32 P4 -","2","1","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0644","0.0563","","","0.1502","0.1587","","","","","","1.041","","","","has coordinates,has disorder","303614","2025-11-29","18:21:36",""
"1575883","14.6337","0.0002","10.8769","0.0001","14.8298","0.0002","90","","109.952","0.002","90","","2218.77","0.05","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 Cl10 P2 -","- C38 H48 Cl10 P2 -","- C76 H96 Cl20 P4 -","2","0.5","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0504","0.0435","","","0.1121","0.1181","","","","","","1.026","","","","has coordinates","303614","2025-11-29","18:21:36",""
"1575884","10.6719","0.0001","11.9792","0.0001","11.0995","0.0001","90","","104.055","0.001","90","","1376.49","0.02","120","1","120","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 P2 -","- C34 H40 P2 -","- C68 H80 P4 -","2","0.5","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0415","0.0394","","","0.1068","0.109","","","","","","1.054","","","","has coordinates","303614","2025-11-29","18:21:37",""
"1575885","15.0324","0.0002","10.6843","0.0002","15.1691","0.0003","90","","112.535","0.002","90","","2250.3","0.08","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 Cl10 P2 -","- C38 H48 Cl10 P2 -","- C76 H96 Cl20 P4 -","2","0.5","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.05","0.0444","","","0.1168","0.1232","","","","","","1.024","","","","has coordinates","303614","2025-11-29","18:21:37",""
"1575886","7.2439","0.0001","18.9138","0.0002","11.3754","0.0001","90","","104.406","0.001","90","","1509.53","0.03","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cl2 P2 -","- C34 H40 Cl2 P2 -","- C68 H80 Cl4 P4 -","2","0.5","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0344","0.0338","","","0.0903","0.0908","","","","","","1.092","","","","has coordinates","303614","2025-11-29","18:21:37",""
"1575887","11.48118","0.00008","13.3743","0.00009","13.10304","0.00012","90","","102.637","0.0008","90","","1963.27","0.03","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Cl2 O2 P2 -","- C44 H52 Cl2 O2 P2 -","- C88 H104 Cl4 O4 P4 -","2","0.5","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0534","0.0516","","","0.1355","0.1367","","","","","","1.149","","","","has coordinates,has disorder","303614","2025-11-29","18:21:37",""
"1575888","7.8799","0.0003","10.1289","0.0004","43.307","0.002","90","","91.842","0.005","90","","3454.7","0.2","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H52 Cl2 O4 P2 -","- C33 H52 Cl2 O4 P2 -","- C132 H208 Cl8 O16 P8 -","4","1","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0986","0.0668","","","0.1501","0.1708","","","","","","1.044","","","","has coordinates,has disorder","303614","2025-11-29","18:21:37",""
"1575889","7.56569","0.00018","21.6248","0.0005","21.1554","0.0005","90","","100.276","0.002","90","","3405.64","0.14","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 Cl2 O3 P2 -","- C33 H50 Cl2 O3 P2 -","- C132 H200 Cl8 O12 P8 -","4","1","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0978","0.0846","","","0.2241","0.2375","","","","","","1.056","","","","has coordinates,has disorder","303614","2025-11-29","18:21:37",""
"1575890","19.8117","0.0002","11.702","0.0001","17.5006","0.0001","90","","115.681","0.001","90","","3656.5","0.06","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H52 Cl2 O3 P2 -","- C37 H52 Cl2 O3 P2 -","- C148 H208 Cl8 O12 P8 -","4","1","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0367","0.0348","","","0.0962","0.0977","","","","","","1.058","","","","has coordinates","303614","2025-11-29","18:21:37",""
"1575891","10.7496","0.0004","20.9208","0.0008","11.5152","0.0005","90","","94.472","0.001","90","","2581.77","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","2","","Wang, Jin-Ping; Wu, Yichen; Wang, Peng","Modular and diverse synthesis of oxaheterocycles <i>via</i> Pd-catalyzed migratory 1,<i>n</i>-cycloannulation of alkenes.","Chemical science","2025","16","43","20292","20299","10.1039/d5sc06539a","","","0.71073","MoKα","","0.1232","0.0733","","","0.1496","0.1779","","","","","","1.079","","","","has coordinates","303618","2025-11-29","18:22:37",""
"1575892","9.5963","0.0005","9.8669","0.0005","18.7412","0.0009","90","","102.306","0.002","90","","1733.75","0.15","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O6 -","- C17 H23 N O6 -","- C68 H92 N4 O24 -","4","1","","Zhu, Hong-Yan; Wang, Xiao-Wei; Chen, Xin-Yu; Li, Lan-Yan; Li, Yi-Xin; Yu, Wei Dong; Yan, Jun; Liu, Chao","Dynamic structural engineering of ferrocene-functionalized Ag<sub>20</sub> nanoclusters for enhanced CO<sub>2</sub> electroreduction performance.","Chemical science","2025","16","43","20389","20396","10.1039/d5sc06306j","","","0.71073","MoKα","","0.1051","0.0639","","","0.1448","0.1664","","","","","","1.053","","","","has coordinates","303615","2025-11-29","18:21:52",""
"1575893","8.5255","0.0007","5.8901","0.0005","17.9337","0.0014","90","","102.863","0.003","90","","877.96","0.12","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl O2 -","- C23 H19 Cl O2 -","- C46 H38 Cl2 O4 -","2","1","","Zong, Yan; Zou, Xiaomei; Zhang, Shaoke; Chen, Gen-Qiang; Zhang, Xumu","Gram-scale synthesis of (+)-elacestrant streamlined by iridium-catalyzed dynamic kinetic asymmetric hydrogenation of α-substituted tetralones.","Chemical science","2025","16","43","20376","20381","10.1039/d5sc05497d","","x-ray","1.34138","GaKα","","0.0324","0.0306","","","0.0777","0.0789","","","","","","1.037","","","","has coordinates","303622","2025-11-29","18:24:36",""
"1575894","8.2953","0.0007","12.2541","0.001","14.4762","0.0012","90","","90","","90","","1471.5","0.2","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Zong, Yan; Zou, Xiaomei; Zhang, Shaoke; Chen, Gen-Qiang; Zhang, Xumu","Gram-scale synthesis of (+)-elacestrant streamlined by iridium-catalyzed dynamic kinetic asymmetric hydrogenation of α-substituted tetralones.","Chemical science","2025","16","43","20376","20381","10.1039/d5sc05497d","","x-ray","1.34138","GaKα","","0.0294","0.0282","","","0.0698","0.0707","","","","","","1.044","","","","has coordinates","303622","2025-11-29","18:24:36",""
"1575895","20.8178","0.0018","22.433","0.002","32.586","0.003","101.552","0.006","96.617","0.005","113.548","0.005","13341","2","213","","213","","","","","","","","","4","P -1","-P 1","2","","DPP-Q-1","","- C248 H232 Cl24 N8 -","- C240 H224 N8 -","- C480 H448 N16 -","2","1","","Qiu, Shuhai; Zhang, Li; Qu, Da-Hui; Wang, Zhaohui","Supercycloalkanes: dihydropyrazine-embedded macrocycles with flexible conformations resembling cycloalkanes","Chemical Science","2025","16","43","20464","20472","10.1039/D5SC06636K","","","1.34139","GaKα","","0.2707","0.1672","","","0.3591","0.4284","","","","","","0.864","","","","has coordinates,has disorder","303619","2025-11-29","18:23:36",""
"1575896","19.0391","0.0008","36.5284","0.0014","38.0565","0.0016","90","","93.829","0.003","90","","26408","1.9","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","DPP-Q-2","","- C220.092 H180.075 N8 -","- C220.092 H180.076 N8 -","- C880.368 H720.304 N32 -","4","1","","Qiu, Shuhai; Zhang, Li; Qu, Da-Hui; Wang, Zhaohui","Supercycloalkanes: dihydropyrazine-embedded macrocycles with flexible conformations resembling cycloalkanes","Chemical Science","2025","16","43","20464","20472","10.1039/D5SC06636K","","","","","","0.169","","","","","","","","","","","","","","","has coordinates,has disorder","303619","2025-11-29","18:23:48",""
"1575897","47.414","0.005","19.421","0.002","46.795","0.006","90","","104.412","0.005","90","","41734","8","223","2","223","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","DPP-Q-C60","","- C480 H224 N8 -","- C480 H224 N8 -","- C1920 H896 N32 -","4","0.5","","Qiu, Shuhai; Zhang, Li; Qu, Da-Hui; Wang, Zhaohui","Supercycloalkanes: dihydropyrazine-embedded macrocycles with flexible conformations resembling cycloalkanes","Chemical Science","2025","16","43","20464","20472","10.1039/D5SC06636K","","x-ray","1.54178","CuKα","","0.2022","0.1694","","","0.3365","0.3548","","","","","","1.02","","","","has coordinates,has disorder","303619","2025-11-29","18:23:49",""
"1575898","31.155","0.003","37.425","0.004","33.005","0.003","90","","90","","90","","38483","7","193","","193","","","","","","","","","3","P n m a","-P 2ac 2n","62","","DPP-P","","- C345 H340 N10 -","- C345 H340 N10 -","- C1380 H1360 N40 -","4","0.5","","Qiu, Shuhai; Zhang, Li; Qu, Da-Hui; Wang, Zhaohui","Supercycloalkanes: dihydropyrazine-embedded macrocycles with flexible conformations resembling cycloalkanes","Chemical Science","2025","16","43","20464","20472","10.1039/D5SC06636K","","x-ray","1.34139","GaKα","","0.2219","0.1275","","","0.2731","0.3138","","","","","","1.08","","","","has coordinates,has disorder","303619","2025-11-29","18:23:50",""
"1575899","23.698","0.005","27.615","0.006","31.597","0.006","90","0.03","94.03","0.03","90","0.03","20627","7","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","DPP-H","","- C362 H338 Cl6 N12 -","- C362 H338 Cl6 N12 -","- C724 H676 Cl12 N24 -","2","0.5","","Qiu, Shuhai; Zhang, Li; Qu, Da-Hui; Wang, Zhaohui","Supercycloalkanes: dihydropyrazine-embedded macrocycles with flexible conformations resembling cycloalkanes","Chemical Science","2025","16","43","20464","20472","10.1039/D5SC06636K","","","1.34139","GaKα","","0.2899","0.166","","","0.3727","0.4246","","","","","","1.273","","","","has coordinates","303619","2025-11-29","18:23:55",""
"1575900","17.6459","0.0006","21.3539","0.0006","17.3232","0.0007","90","","120.68","0.005","90","","5613.9","0.4","99.8","0.9","99.8","0.9","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H82 B N2 O3 Tb -","- C66 H82 B N2 O3 Tb -","- C264 H328 B4 N8 O12 Tb4 -","4","0.5","","Castellanos, Ernesto; Benner, Florian; Deshapriya, Saroshan; Demir, Selvan","Magnetic hysteresis in 1D organometallic lanthanide chain compounds containing 4,4'-bipyridine.","Chemical science","2025","16","40","18616","18631","10.1039/d5sc05460e","","x-ray","0.71073","MoKα","","0.0637","0.0592","","","0.139","0.1412","","","","","","1.185","","","","has coordinates,has disorder","303656","2025-11-29","18:36:42",""
"1575901","17.4145","0.0008","21.4824","0.0005","17.5221","0.0007","90","","119.353","0.006","90","","5713.5","0.5","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H82 B Gd N2 O3 -","- C66 H82 B Gd N2 O3 -","- C264 H328 B4 Gd4 N8 O12 -","4","0.5","","Castellanos, Ernesto; Benner, Florian; Deshapriya, Saroshan; Demir, Selvan","Magnetic hysteresis in 1D organometallic lanthanide chain compounds containing 4,4'-bipyridine.","Chemical science","2025","16","40","18616","18631","10.1039/d5sc05460e","","","0.71073","MoKα","","0.0789","0.0586","","","0.1375","0.1581","","","","","","1.135","","","","has coordinates,has disorder","303656","2025-11-29","18:36:43",""
"1575902","17.6459","0.0006","21.3539","0.0006","17.3232","0.0007","90","","120.68","0.005","90","","5613.9","0.4","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H82 B Dy N2 O3 -","- C66 H82 B Dy N2 O3 -","- C264 H328 B4 Dy4 N8 O12 -","4","0.5","","Castellanos, Ernesto; Benner, Florian; Deshapriya, Saroshan; Demir, Selvan","Magnetic hysteresis in 1D organometallic lanthanide chain compounds containing 4,4'-bipyridine.","Chemical science","2025","16","40","18616","18631","10.1039/d5sc05460e","","x-ray","1.54184","CuKα","","0.0609","0.0534","","","0.1429","0.1483","","","","","","1.064","","","","has coordinates,has disorder","303656","2025-11-29","18:36:43",""
"1575903","9.5963","0.0005","9.8669","0.0005","18.7412","0.0009","90","","102.306","0.002","90","","1733.75","0.15","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O6 -","- C17 H23 N O6 -","- C68 H92 N4 O24 -","4","1","","Ye, Yu-Meng; Li, Zhi","Construction of α-quinonyl-α-hydroxy/amino acid esters through the redox chain reaction.","Chemical science","2025","16","43","20564","20569","10.1039/d5sc05582b","","","0.71073","MoKα","","0.1051","0.0639","","","0.1448","0.1664","","","","","","1.053","","","","has coordinates","303620","2025-11-29","18:24:08",""
"1575904","13.7943","0.0007","10.0312","0.0005","13.8636","0.0007","90","","107.119","0.002","90","","1833.36","0.16","100","2","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C70 H13 N -","- C70 H13 N -","- C140 H26 N2 -","2","1","","Li, Jinrui; Zhuang, Kaipeng; Tao, Yunlong; Zhang, Qingfeng; Li, Hongguang; Hao, Jingcheng","Multilevel chirality transfer and second harmonic generation in mesoscopic double helical supramolecular self-assemblies of fullerene enantiomers.","Chemical science","2025","16","42","19843","19848","10.1039/d5sc05354d","","","1.54178","CuKα","","0.0603","0.0509","","","0.133","0.1357","","","","","","1.064","","","","has coordinates","303626","2025-11-29","18:25:54",""
"1575905","13.787","","10.026","","13.857","","90","","107.1","","90","","1830.76","","100","2","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C70 H13 N -","- C70 H13 N -","- C140 H26 N2 -","2","1","","Li, Jinrui; Zhuang, Kaipeng; Tao, Yunlong; Zhang, Qingfeng; Li, Hongguang; Hao, Jingcheng","Multilevel chirality transfer and second harmonic generation in mesoscopic double helical supramolecular self-assemblies of fullerene enantiomers.","Chemical science","2025","16","42","19843","19848","10.1039/d5sc05354d","","","1.54178","CuKα","","0.0822","0.0748","","","0.2134","0.224","","","","","","1.11","","","","has coordinates","303626","2025-11-29","18:25:54",""
"1575906","9.0878","0.0004","14.2865","0.0008","11.2346","0.0006","90","","95.771","0.002","90","","1451.23","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H30 F N2 O5 P -","- C34 H30 F N2 O5 P -","- C68 H60 F2 N4 O10 P2 -","2","1","","Sun, Yu-Li; Dai, Lei; Zhu, Kun; Huang, Qingqin; Chen, Yushuang; Wu, Zugen; Lu, Yixin","Remote generation of N-N axial chirality through asymmetric hydrophosphinylation/hydroamination of maleimides.","Chemical science","2025","16","42","20042","20047","10.1039/d5sc06360d","","","0.71073","MoKα","","0.0477","0.0395","","","0.088","0.0966","","","","","","1.101","","","","has coordinates","303633","2025-11-29","18:28:20",""
"1575907","6.6376","0.0002","12.587","0.0003","25.9116","0.0007","90","","90","","90","","2164.85","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N3 O6 -","- C23 H25 N3 O6 -","- C92 H100 N12 O24 -","4","1","","Sun, Yu-Li; Dai, Lei; Zhu, Kun; Huang, Qingqin; Chen, Yushuang; Wu, Zugen; Lu, Yixin","Remote generation of N-N axial chirality through asymmetric hydrophosphinylation/hydroamination of maleimides.","Chemical science","2025","16","42","20042","20047","10.1039/d5sc06360d","","","1.54178","CuKα","","0.0239","0.0238","","","0.0604","0.0604","","","","","","1.07","","","","has coordinates,has disorder","303633","2025-11-29","18:28:20",""
"1575908","18.654","0.003","5.8046","0.0009","31.238","0.006","90","","95.121","0.018","90","","3368.9","1","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H23 B N O2 -","- C19 H23 B N O2 -","- C152 H184 B8 N8 O16 -","8","1","","Zhao, Jinying; Yang, Qihang; Chen, Weibin; Xu, Nuo; Zhang, Qing; Zhao, Wenhao; Luo, Geng-Geng; Cui, Qiuhong; Huang, Jianhua","O-B ← N perturbed polycyclic aromatic hydrocarbons: a straightforward synthesis strategy, and their photophysical and optical waveguide properties.","Chemical science","2025","16","43","20445","20456","10.1039/d5sc05407a","","x-ray","0.71073","MoKα","","0.2477","0.1212","","","0.2403","0.3022","","","","","","1.056","","","","has coordinates","303624","2025-11-29","18:25:27",""
"1575909","14.164","0.0003","17.1362","0.0004","18.8082","0.0004","97.523","0.001","100.344","0.001","113.792","0.001","4002.98","0.16","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C50.5 H43 B2 Cl N2 O4 -","- C50.5 H43 B2 Cl N2 O4 -","- C202 H172 B8 Cl4 N8 O16 -","4","2","","Zhao, Jinying; Yang, Qihang; Chen, Weibin; Xu, Nuo; Zhang, Qing; Zhao, Wenhao; Luo, Geng-Geng; Cui, Qiuhong; Huang, Jianhua","O-B ← N perturbed polycyclic aromatic hydrocarbons: a straightforward synthesis strategy, and their photophysical and optical waveguide properties.","Chemical science","2025","16","43","20445","20456","10.1039/d5sc05407a","","","1.54178","CuKα","","0.0648","0.0549","","","0.1491","0.1585","","","","","","1.033","","","","has coordinates,has disorder","303624","2025-11-29","18:25:27",""
"1575910","18.6896","0.0002","39.6256","0.0004","31.8611","0.0004","90","","93.602","0.001","90","","23549.3","0.5","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C222 H295 F48 N9 O42 P8 -","- C222 H295 F48 N9 O42 P8 -","- C888 H1180 F192 N36 O168 P32 -","4","1","","Yu, Wei; Hu, Ming; Wen, Xin; Xu, Zhi-Rong; Liu, Minghua; Zheng, Yan-Song","CPL on/off switching by enantiomer encapsulation in TPE heterochiral molecular cages.","Chemical science","2025","16","44","20924","20930","10.1039/d5sc05405b","","x-ray","1.54184","CuKα","","0.1222","0.1002","","","0.2864","0.3079","","","","","","1.046","","","","has coordinates,has disorder","303593","2025-11-29","18:12:42",""
"1575911","43.8342","0.0009","23.9492","0.0004","18.8318","0.0002","90","","90","","90","","19769.5","0.6","99.99","0.1","99.99","0.1","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C11 H10 F6 N O P -","- C8.09412 H8.65882 F2.25882 N0.752941 P0.376471 -","- C688 H736 F192 N64 P32 -","85","5.3125","","Yu, Wei; Hu, Ming; Wen, Xin; Xu, Zhi-Rong; Liu, Minghua; Zheng, Yan-Song","CPL on/off switching by enantiomer encapsulation in TPE heterochiral molecular cages.","Chemical science","2025","16","44","20924","20930","10.1039/d5sc05405b","","x-ray","1.54184","CuKα","","0.137","0.1272","","","0.4142","0.4252","","","","","","1.941","","","","has coordinates","303593","2025-11-29","18:12:43",""
"1575912","5.3502","0.0015","17.774","0.005","19.868","0.006","90","","90","","90","","1889.3","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O S2 -","- C22 H22 O S2 -","- C88 H88 O4 S8 -","4","1","","Chakrabarty, Aditya; Chatterjee, Ritwika; Mukherjee, Santanu","Enantioselective homocoupling of allenylic alcohols through divergent cooperative catalysis.","Chemical science","2025","16","43","20495","20506","10.1039/d5sc02831k","","","0.71073","MoKα","","0.0417","0.032","","","0.0684","0.0721","","","","","","1.068","","","","has coordinates","303616","2025-11-29","18:22:04",""
"1575913","10.0004","0.0006","11.1515","0.0004","13.0098","0.0007","90","","102.287","0.004","90","","1417.61","0.13","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 -","- C18 H15 N3 -","- C72 H60 N12 -","4","1","","Mang, André; Beltako, Katawoura; Kadriu, Besa; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Break-junction studies on paddle-wheel complexes with four lateral anchor groups: small influence of metal-metal bond order.","Nanoscale","2025","17","41","24226","24240","10.1039/d5nr01695a","","x-ray","0.71073","MoKα","","0.0617","0.0434","","","0.1049","0.1201","","","","","","1.069","","","","has coordinates","303846","2025-11-29","21:30:45",""
"1575914","9.5662","0.0006","9.8044","0.0007","10.6648","0.0007","105.084","0.005","93.119","0.005","118.45","0.005","830.2","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 S -","- C20 H18 N2 S -","- C40 H36 N4 S2 -","2","1","","Mang, André; Beltako, Katawoura; Kadriu, Besa; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Break-junction studies on paddle-wheel complexes with four lateral anchor groups: small influence of metal-metal bond order.","Nanoscale","2025","17","41","24226","24240","10.1039/d5nr01695a","","x-ray","0.71073","MoKα","","0.0587","0.0395","","","0.09","0.1072","","","","","","1.059","","","","has coordinates","303846","2025-11-29","21:30:46",""
"1575915","25.139","0.0005","23.7263","0.0003","12.3581","0.0002","90","","89.839","0.002","90","","7371","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78.5 H70 Mo2 N12 O -","- C78.5 H70 Mo2 N12 O -","- C314 H280 Mo8 N48 O4 -","4","1","","Mang, André; Beltako, Katawoura; Kadriu, Besa; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Break-junction studies on paddle-wheel complexes with four lateral anchor groups: small influence of metal-metal bond order.","Nanoscale","2025","17","41","24226","24240","10.1039/d5nr01695a","","x-ray","0.71073","MoKα","","0.0493","0.0364","","","0.0912","0.0973","","","","","","1.033","","","","has coordinates,has disorder","303846","2025-11-29","21:30:46",""
"1575916","14.9626","0.0004","14.9626","0.0004","17.4634","0.0006","90","","90","","90","","3909.7","0.2","100","","100","","","","","","","","","6","I 4","I 4","79","","","","- C82.5 H73 Cl5 N8 Rh2 S4 -","- C82.5 H73 Cl5 N8 Rh2 S4 -","- C165 H146 Cl10 N16 Rh4 S8 -","2","0.25","","Mang, André; Beltako, Katawoura; Kadriu, Besa; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Break-junction studies on paddle-wheel complexes with four lateral anchor groups: small influence of metal-metal bond order.","Nanoscale","2025","17","41","24226","24240","10.1039/d5nr01695a","","x-ray","0.71073","MoKα","","0.0544","0.0486","","","0.1235","0.137","","","","","","1.087","","","","has coordinates,has disorder","303846","2025-11-29","21:30:46",""
"1575917","14.97951","0.00006","17.60118","0.00008","15.10734","0.00007","90","","90.2255","0.0004","90","","3983.13","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C82 H72 Cl4 Mo2 N8 S4 -","- C82 H72 Cl4 Mo2 N8 S4 -","- C164 H144 Cl8 Mo4 N16 S8 -","2","1","","Mang, André; Beltako, Katawoura; Kadriu, Besa; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Break-junction studies on paddle-wheel complexes with four lateral anchor groups: small influence of metal-metal bond order.","Nanoscale","2025","17","41","24226","24240","10.1039/d5nr01695a","","x-ray","1.54184","CuKα","","0.026","0.0249","","","0.0621","0.0627","","","","","","1.032","","","","has coordinates,has disorder","303846","2025-11-29","21:30:46",""
"1575918","5.3586","0.0002","33.0345","0.0012","10.7307","0.0009","90","","96.252","0.004","90","","1888.24","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N Ni O8 -","- C14 H15 N Ni O8 -","- C56 H60 N4 Ni4 O32 -","4","1","","Wang, Yuhao; Zhong, Jinping; Feng, Fada; Zeng, Yikui; Yan, Dengfeng; Li, Xudong","Stable Ni(II)-based metal-organic framework nanoparticles for efficient photocatalytic C-N coupling reaction.","Nanoscale","2025","17","44","25868","25876","10.1039/d5nr03175c","","x-ray","1.54184","CuKα","","0.1545","0.1361","","","0.3267","0.3371","","","","","","1.172","","","","has coordinates","303843","2025-11-29","21:29:45",""
"1575919","4.66104","0.00005","15.4164","0.0002","12.48705","0.00016","90","","93.9291","0.0011","90","","895.166","0.019","120","0.1","120","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C16 H14 Br2 Cu F4 O4 -","- C16 H14 Br2 Cu F4 O4 -","- C32 H28 Br4 Cu2 F8 O8 -","2","0.25","","Sasikumar, Anagha; Novotný, Jan; Chyba, Jan; Kobera, Libor; Marek, Radek","Supramolecular covalency of halogen bonds revealed by NMR contact shifts in paramagnetic cocrystals","Chemical Science","2025","16","43","20239","20244","10.1039/D5SC05769H","","","1.54184","CuKα","","0.0217","0.0215","","","0.0569","0.057","","","","","","1.084","","","","has coordinates","303621","2025-11-29","18:24:21",""
"1575920","4.67274","0.00005","17.31552","0.00018","13.70775","0.00015","90","","90.6808","0.0009","90","","1109.03","0.02","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 F4 I2 Ni O6 -","- C16 H18 F4 I2 Ni O6 -","- C32 H36 F8 I4 Ni2 O12 -","2","0.5","","Sasikumar, Anagha; Novotný, Jan; Chyba, Jan; Kobera, Libor; Marek, Radek","Supramolecular covalency of halogen bonds revealed by NMR contact shifts in paramagnetic cocrystals","Chemical Science","2025","16","43","20239","20244","10.1039/D5SC05769H","","","1.54184","CuKα","","0.0275","0.027","","","0.0758","0.0761","","","","","","1.084","","","","has coordinates","303621","2025-11-29","18:24:21",""
"1575921","4.73648","0.00019","15.3598","0.0005","12.6168","0.0005","90","","94.786","0.004","90","","914.69","0.06","120.02","0.1","120.02","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C16 H14 Br2 F4 O4 Pd -","- C16 H14 Br2 F4 O4 Pd -","- C32 H28 Br4 F8 O8 Pd2 -","2","0.25","","Sasikumar, Anagha; Novotný, Jan; Chyba, Jan; Kobera, Libor; Marek, Radek","Supramolecular covalency of halogen bonds revealed by NMR contact shifts in paramagnetic cocrystals","Chemical Science","2025","16","43","20239","20244","10.1039/D5SC05769H","","","1.54184","CuKα","","0.0441","0.044","","","0.131","0.1311","","","","","","1.15","","","","has coordinates","303621","2025-11-29","18:24:22",""
"1575922","27.1369","0.0014","8.345","0.0003","8.1438","0.0003","90","","90","","90","","1844.22","0.13","300.15","","300.15","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C6 H18 Br4 Cl2 N2 Pb -","- C6 H18 Br4 Cl2 N2 Pb -","- C24 H72 Br16 Cl8 N8 Pb4 -","4","0.5","","He, Yueyue; Wu, Shufang; Li, Xiaofei; Wang, Qi; Zhao, Ruifang; Pan, Lin; Qin, Chengbing; Zhang, Xian-Ming; Fu, Dongying","Constructing a photoferroelectric semiconductor by regulating non-covalent interactions through halogen substitution.","Chemical science","2025","16","44","20948","20958","10.1039/d5sc05946a","","","0.71073","MoKα","","0.0803","0.0577","","","0.1512","0.1597","","","","","","1.008","","","","has coordinates","303597","2025-11-29","18:14:32",""
"1575923","27.3369","0.0018","8.3933","0.0004","8.1734","0.0004","90","","90","","90","","1875.36","0.18","355","2","355","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C6 H18 Br4 Cl2 N2 Pb -","- C6 H18 Br4 Cl2 N2 Pb -","- C24 H72 Br16 Cl8 N8 Pb4 -","4","0.5","","He, Yueyue; Wu, Shufang; Li, Xiaofei; Wang, Qi; Zhao, Ruifang; Pan, Lin; Qin, Chengbing; Zhang, Xian-Ming; Fu, Dongying","Constructing a photoferroelectric semiconductor by regulating non-covalent interactions through halogen substitution.","Chemical science","2025","16","44","20948","20958","10.1039/d5sc05946a","","","0.71073","MoKα","","0.0915","0.0698","","","0.2085","0.2274","","","","","","0.902","","","","has coordinates","303597","2025-11-29","18:14:32",""
"1575924","8.3957","0.0005","8.2101","0.0005","27.289","0.002","90","","90","","90","","1881","0.2","375","2","375","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H18 Br4 Cl2 N2 Pb -","- C6 H18 Br4 Cl2 N2 Pb -","- C24 H72 Br16 Cl8 N8 Pb4 -","4","0.5","","He, Yueyue; Wu, Shufang; Li, Xiaofei; Wang, Qi; Zhao, Ruifang; Pan, Lin; Qin, Chengbing; Zhang, Xian-Ming; Fu, Dongying","Constructing a photoferroelectric semiconductor by regulating non-covalent interactions through halogen substitution.","Chemical science","2025","16","44","20948","20958","10.1039/d5sc05946a","","","0.71073","MoKα","","0.1003","0.073","","","0.194","0.2109","","","","","","1.14","","","","has coordinates,has disorder","303597","2025-11-29","18:14:32",""
"1575925","13.8349","0.0016","24.4206","0.0016","18.1092","0.0018","90","","109.12","0.011","90","","5780.8","1","149.9","0.2","149.9","0.2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C88.36 H20.36 Cl7.09 O8 -","- C86 H18 O8 -","- C344 H72 O32 -","4","1","","Steudel, Fabian M.; Sabrià, Clara; Piane, Massimo Delle; Feixas, Ferran; Ribas, Xavi; Pavan, Giovanni M.; von Delius, Max","Observation of shuttling on the one-second timescale in a [10]cycloparaphenylene/C<sub>60</sub> [2]catenane.","Chemical science","2025","16","46","21908","21916","10.1039/d5sc05734e","","x-ray","1.54184","CuKα","","0.1922","0.1296","","","0.3363","0.4202","","","","","","1.063","","","","has coordinates","303648","2025-11-29","18:33:43",""
"1575926","12.8371","0.0006","27.752","0.003","16.345","0.002","90","","104.348","0.008","90","","5641.4","1","150","0.14","150","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H20 Cl6 O8 -","- C88 H20 Cl6 O8 -","- C352 H80 Cl24 O32 -","4","1","","Steudel, Fabian M.; Sabrià, Clara; Piane, Massimo Delle; Feixas, Ferran; Ribas, Xavi; Pavan, Giovanni M.; von Delius, Max","Observation of shuttling on the one-second timescale in a [10]cycloparaphenylene/C<sub>60</sub> [2]catenane.","Chemical science","2025","16","46","21908","21916","10.1039/d5sc05734e","","x-ray","1.54184","CuKα","","0.2319","0.1031","","","0.2272","0.3138","","","","","","0.937","","","","has coordinates","303648","2025-11-29","18:33:44",""
"1575927","15.9594","0.0012","16.2718","0.0012","20.8553","0.0015","90.963","0.005","94.519","0.005","97.05","0.005","5356.3","0.7","161","","161","","","","","","","","","4","P -1","-P 1","2","","Co-crystal of [10]cycloparaphenylene and in,in-trans-3 bis(methyl (4-ethynylbenzyl) malonato)-C60","","- C149.83 H60.86 Cl11.85 O8 -","- C145.883 H56.909 O8 -","- C291.766 H113.818 O16 -","2","1","","Steudel, Fabian M.; Sabrià, Clara; Piane, Massimo Delle; Feixas, Ferran; Ribas, Xavi; Pavan, Giovanni M.; von Delius, Max","Observation of shuttling on the one-second timescale in a [10]cycloparaphenylene/C<sub>60</sub> [2]catenane.","Chemical science","2025","16","46","21908","21916","10.1039/d5sc05734e","","","1.54178","CuKα","","0.1424","0.0816","","","0.2119","0.259","","","","","","0.928","","","","has coordinates,has disorder","303648","2025-11-29","18:33:44",""
"1575928","13.7994","0.0003","24.8092","0.0004","14.2323","0.0003","90","","112.803","0.003","90","","4491.64","0.18","139.99","0.1","139.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H91 Cs2 O5 Pr Si5 -","- C104 H91 Cs2 O5 Pr Si5 -","- C208 H182 Cs4 O10 Pr2 Si10 -","2","1","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.0938","0.0865","","","0.2199","0.2294","","","","","","1.062","","","","has coordinates","303595","2025-11-29","18:13:55",""
"1575929","24.1029","0.0003","13.5279","0.0002","40.7549","0.0006","90","","96.2414","0.0015","90","","13209.8","0.3","139.99","0.1","139.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H108 O16 Pr Si4 -","- C48 H108 O16 Pr Si4 -","- C384 H864 O128 Pr8 Si32 -","8","1","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.077","0.0684","","","0.141","0.1454","","","","","","1.183","","","","has coordinates,has disorder","303595","2025-11-29","18:13:55",""
"1575930","25.9527","0.0005","14.2269","0.0003","27.4839","0.0005","90","","98.0362","0.0017","90","","10048.1","0.3","139.99","0.1","139.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H162 O24 Pr2 Si6 -","- C72 H162 O24 Pr2 Si6 -","- C288 H648 O96 Pr8 Si24 -","4","0.5","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.0466","0.0399","","","0.0966","0.1012","","","","","","1.041","","","","has coordinates,has disorder","303595","2025-11-29","18:13:56",""
"1575931","19.0205","0.0003","23.9582","0.0007","22.386","0.0004","90","","92.3363","0.0016","90","","10192.8","0.4","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C118 H107 K2 O5 Pr Si5 -","- C118 H107 K2 O5 Pr Si5 -","- C472 H428 K8 O20 Pr4 Si20 -","4","1","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.0997","0.0588","","","0.1196","0.1401","","","","","","1.006","","","","has coordinates,has disorder","303595","2025-11-29","18:13:56",""
"1575932","13.73996","0.00012","24.71494","0.00017","14.12364","0.00013","90","","113.975","0.0011","90","","4382.36","0.07","139.99","0.1","139.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H91 K O5 Pr Si5 -","- C104 H91 K O5 Pr Si5 -","- C208 H182 K2 O10 Pr2 Si10 -","2","1","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.046","0.0456","","","0.1153","0.1155","","","","","","1.163","","","","has coordinates","303595","2025-11-29","18:13:56",""
"1575933","14.1726","0.0002","28.1742","0.0007","26.7761","0.0004","90","","103.81","0.0017","90","","10382.7","0.3","140","0.1","140","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C112 H103 Cl4 K O11 Pr Si5 -","- C111 H101 Cl2 K O11 Pr Si5 -","- C444 H404 Cl8 K4 O44 Pr4 Si20 -","4","1","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.1329","0.0711","","","0.1828","0.2107","","","","","","1.013","","","","has coordinates","303595","2025-11-29","18:13:56",""
"1575934","13.6841","0.0009","23.2083","0.0015","27.761","0.002","109.761","0.006","95.331","0.006","90.676","0.005","8252.6","1","200","0.11","200","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C93.5 H79 Ce K2 O5 Si5 -","- C90 H75 Ce K2 O5 Si5 -","- C360 H300 Ce4 K8 O20 Si20 -","4","2","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.234","0.0966","","","0.1855","0.274","","","","","","0.954","","","","has coordinates","303595","2025-11-29","18:13:56",""
"1575935","13.7546","0.0018","24.859","0.003","14.1649","0.0018","90","","113.942","0.016","90","","4426.6","1.1","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H91 Cs O5 Pr Si5 -","- C104 H91 Cs O5 Pr Si5 -","- C208 H182 Cs2 O10 Pr2 Si10 -","2","1","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.1165","0.0714","","","0.1436","0.1784","","","","","","0.9344","","","","has coordinates","303595","2025-11-29","18:13:56",""
"1575936","9.47","0.0004","13.1031","0.0004","21.8976","0.0008","75.406","0.001","81.819","0.001","69.724","0.001","2462.06","0.16","193","","193","","","","","","","","","5","P -1","-P 1","2","","bth","","- C90 H98 N4 O12 S2 -","- C90 H94 N4 O12 S2 -","- C90 H94 N4 O12 S2 -","1","0.5","","Liu, Ao; Xin, Youtao; Zhu, Yong-Kang; Jin, Yuan-Hang; Yang, Yue; Chen, Hongzhu; Li, Meng-Hao; Lou, Xin-Yue; Wang, Xin; Gao, Hui; Yang, Ying-Wei","Macrocycle formation-mediated augmentation in reactive oxygen species production.","Chemical science","2025","16","44","20968","20977","10.1039/d5sc06637a","","","0.71073","MoKα","","0.1081","0.0681","","","0.176","0.1993","","","","","","1.043","","","","has coordinates","303594","2025-11-29","18:12:56",""
"1575937","11.037","0.0009","11.0772","0.001","15.124","0.0013","99.784","0.003","109.902","0.003","105.913","0.003","1599.6","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","c","","- C76 H72 Cl4 O8 -","- C76 H72 Cl4 O8 -","- C76 H72 Cl4 O8 -","1","0.5","","Liu, Ao; Xin, Youtao; Zhu, Yong-Kang; Jin, Yuan-Hang; Yang, Yue; Chen, Hongzhu; Li, Meng-Hao; Lou, Xin-Yue; Wang, Xin; Gao, Hui; Yang, Ying-Wei","Macrocycle formation-mediated augmentation in reactive oxygen species production.","Chemical science","2025","16","44","20968","20977","10.1039/d5sc06637a","","","0.71073","MoKα","","0.0808","0.0572","","","0.1463","0.1643","","","","","","1.042","","","","has coordinates","303594","2025-11-29","18:12:58",""
"1575938","14.788","0.003","14.851","0.003","21.736","0.004","93.26","0.005","106.45","0.005","118.165","0.005","3932.3","1.4","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C89.5 H101.5 O9.25 -","- C82 H84 O8 -","- C164 H168 O16 -","2","1","","Liu, Ao; Xin, Youtao; Zhu, Yong-Kang; Jin, Yuan-Hang; Yang, Yue; Chen, Hongzhu; Li, Meng-Hao; Lou, Xin-Yue; Wang, Xin; Gao, Hui; Yang, Ying-Wei","Macrocycle formation-mediated augmentation in reactive oxygen species production.","Chemical science","2025","16","44","20968","20977","10.1039/d5sc06637a","","","0.71073","MoKα","","0.2302","0.1416","","","0.3471","0.4308","","","","","","0.996","","","","has coordinates","303594","2025-11-29","18:12:58",""
"1575939","13.9352","0.0016","46.623","0.006","22.935","0.003","90","","102.658","0.004","90","","14539","3","273.15","","273.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C128 H103 B F23 N14 O2 P3.5 Zn2 -","- C128 H103 B F23 N14 O2 P3.5 Zn2 -","- C512 H412 B4 F92 N56 O8 P14 Zn8 -","4","2","","Han, Ningxu; Ma, Jianjun; Yu, Hao; Shi, Junjuan; Dai, Manman; Guo, Ziteng; Gao, Zinuo; Zhang, Houyu; Wang, Ming","Isomeric decker metallo-supramolecules with tunable luminescence and chiroptical properties.","Chemical science","2025","16","44","21010","21019","10.1039/d5sc04596g","","","0.68883","Synchrotron","","0.0674","0.0599","","","0.1636","0.1694","","","","","","1.05","","","","has coordinates","303591","2025-11-29","18:11:53",""
"1575940","12.3883","0.0003","17.3876","0.0004","19.7078","0.0004","90","","101.242","0.001","90","","4163.66","0.16","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H37 Br2 Cl2 F4 N3 Ni O -","- C44 H37 Br2 Cl2 F4 N3 Ni O -","- C176 H148 Br8 Cl8 F16 N12 Ni4 O4 -","4","1","","Zeng, Yifan; Wang, Yizhou; Singh, Kuldip; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua","Correlating electronic properties of a nickel polymerisation catalyst with the branching density of a polyethylene","Catalysis Science & Technology","2025","15","18","5335","5345","10.1039/D5CY00859J","","","1.54178","CuKα","","0.0378","0.034","","","0.0963","0.0994","","","","","","1.031","","","","has coordinates","302358","2025-10-03","22:17:23",""
"1575941","37.6585","0.001","10.2241","0.0003","22.1231","0.0006","90","","122.034","0.001","90","","7220.9","0.4","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H33 Br2 F4 N3 Ni -","- C42 H33 Br2 F4 N3 Ni -","- C336 H264 Br16 F32 N24 Ni8 -","8","1","","Zeng, Yifan; Wang, Yizhou; Singh, Kuldip; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua","Correlating electronic properties of a nickel polymerisation catalyst with the branching density of a polyethylene","Catalysis Science & Technology","2025","15","18","5335","5345","10.1039/D5CY00859J","","","1.54178","CuKα","","0.0253","0.0252","","","0.0666","0.0666","","","","","","1.089","","","","has coordinates","302358","2025-10-03","22:17:25",""
"1575942","31.6383","0.0016","10.6227","0.0006","27.4917","0.0014","90","","107.361","0.002","90","","8818.6","0.8","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C85 H61 Br4 Cl9 F14 N4 Ni2 -","- C84 H60 Br4 Cl6 F14 N4 Ni2 -","- C336 H240 Br16 Cl24 F56 N16 Ni8 -","4","0.5","","Zeng, Yifan; Wang, Yizhou; Singh, Kuldip; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua","Correlating electronic properties of a nickel polymerisation catalyst with the branching density of a polyethylene","Catalysis Science & Technology","2025","15","18","5335","5345","10.1039/D5CY00859J","","","1.54178","CuKα","","0.0569","0.0402","","","0.1027","0.1064","","","","","","1.069","","","","has coordinates,has disorder","302358","2025-10-03","22:17:25",""
"1575943","16.7042","0.0013","13.9391","0.0011","36.092","0.003","90","","102.438","0.003","90","","8206.5","1.1","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H35 Br3 F4 N4 Ni -","- C44 H35 Br3 F4 N4 Ni -","- C352 H280 Br24 F32 N32 Ni8 -","8","2","","Zeng, Yifan; Wang, Yizhou; Singh, Kuldip; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua","Correlating electronic properties of a nickel polymerisation catalyst with the branching density of a polyethylene","Catalysis Science & Technology","2025","15","18","5335","5345","10.1039/D5CY00859J","","","1.54178","CuKα","","0.0472","0.0461","","","0.1229","0.1256","","","","","","1.082","","","","has coordinates","302358","2025-10-03","22:17:25",""
"1575944","32.1203","0.001","17.5007","0.0005","21.208","0.0007","90","","130.266","0.001","90","","9096.8","0.5","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H39.5 Br2 F4 N6.5 Ni O2 -","- C42 H32 Br2 F4 N4 Ni O2 -","- C336 H256 Br16 F32 N32 Ni8 O16 -","8","1","","Zeng, Yifan; Wang, Yizhou; Singh, Kuldip; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua","Correlating electronic properties of a nickel polymerisation catalyst with the branching density of a polyethylene","Catalysis Science & Technology","2025","15","18","5335","5345","10.1039/D5CY00859J","","","1.54178","CuKα","","0.0358","0.0339","","","0.0884","0.0903","","","","","","1.059","","","","has coordinates","302358","2025-10-03","22:17:26",""
"1575945","11.7367","0.0004","16.4401","0.0005","23.1393","0.0007","100.01","0.001","94.007","0.001","101.121","0.001","4289.5","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C188 H196 Br8 F16 N8 Ni4 O10 -","- C180 H176 Br8 F16 N8 Ni4 O8 -","- C180 H176 Br8 F16 N8 Ni4 O8 -","1","0.5","","Zeng, Yifan; Wang, Yizhou; Singh, Kuldip; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua","Correlating electronic properties of a nickel polymerisation catalyst with the branching density of a polyethylene","Catalysis Science & Technology","2025","15","18","5335","5345","10.1039/D5CY00859J","","","1.54178","CuKα","","0.0285","0.0284","","","0.0737","0.0738","","","","","","1.094","","","","has coordinates","302358","2025-10-03","22:17:26",""
"1575946","16.6502","0.0007","7.3452","0.0003","21.915","0.0009","90","","97.814","0.001","90","","2655.3","0.19","100.15","","100","2","","","","","","","synthesized by the authors","3","C 1 2 1","C 2y","5","","","","- C19 H12 O2 -","- C19 H12 O2 -","- C152 H96 O16 -","8","2","","Dočekal, Vojtěch; Kurčina, Adam; Císařová, Ivana; Veselý, Jan","Enantioselective lactonization catalyzed by chiral N-heterocyclic carbenes enables access to inherently chiral eight-membered lactones.","Chemical science","2025","16","37","17369","17373","10.1039/d5sc05037e","","x-ray","1.54178","CuKα","","0.03","0.03","","","0.0796","0.0796","","","","","","1.039","","","","has coordinates","302368","2025-10-04","10:34:39",""
"1575947","7.9507","0.0002","6.6959","0.0003","16.8907","0.0006","90","","95.01","0.001","90","","895.78","0.06","220","2","220","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C26 H17 N -","- C26 H17 N -","- C52 H34 N2 -","2","1","","Zeng, Chongyang; Liang, Shan; Lin, Jieyu; Liu, Wei; Xie, Zhixin; Cai, Wenxuan; Redshaw, Carl; Feng, Xing; Tang, Ben Zhong","Achieving controllable packing mode and broad colour-tunable emission <i>via</i> the end group effect in pyrene-based aggregation-induced emission luminogens.","Chemical science","2025","16","36","16719","16728","10.1039/d5sc03105b","","","0.71073","MoKα","","0.0974","0.0639","","","0.1565","0.1935","","","","","","1.091","","","","has coordinates","302369","2025-10-04","10:35:59",""
"1575948","8.102","0.002","34.566","0.012","13.851","0.005","90","","100.625","0.011","90","","3813","2","300.01","","300.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H28 F6 N2 -","- C52 H28 F6 N2 -","- C208 H112 F24 N8 -","4","1","","Zeng, Chongyang; Liang, Shan; Lin, Jieyu; Liu, Wei; Xie, Zhixin; Cai, Wenxuan; Redshaw, Carl; Feng, Xing; Tang, Ben Zhong","Achieving controllable packing mode and broad colour-tunable emission <i>via</i> the end group effect in pyrene-based aggregation-induced emission luminogens.","Chemical science","2025","16","36","16719","16728","10.1039/d5sc03105b","","","0.71073","MoKα","","0.1947","0.1421","","","0.2438","0.2949","","","","","","0.925","","","","has coordinates","302369","2025-10-04","10:36:01",""
"1575949","7.5761","0.0002","14.0077","0.0006","23.4633","0.0006","90","","90","","90","","2490.01","0.14","300.01","","300.01","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C37 H23 N -","- C37 H23 N -","- C148 H92 N4 -","4","1","","Zeng, Chongyang; Liang, Shan; Lin, Jieyu; Liu, Wei; Xie, Zhixin; Cai, Wenxuan; Redshaw, Carl; Feng, Xing; Tang, Ben Zhong","Achieving controllable packing mode and broad colour-tunable emission <i>via</i> the end group effect in pyrene-based aggregation-induced emission luminogens.","Chemical science","2025","16","36","16719","16728","10.1039/d5sc03105b","","","0.71073","MoKα","","0.1434","0.0776","","","0.1434","0.1885","","","","","","1.028","","","","has coordinates","302369","2025-10-04","10:36:01",""
"1575950","25.3554","0.0012","7.6892","0.0002","25.5978","0.001","90","","116.939","0.005","90","","4449.1","0.4","99.97","0.17","99.97","0.17","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60.8 H51.6 Cl1.6 N2 O2 -","- C60.8 H51.6 Cl1.6 N2 O2 -","- C243.2 H206.4 Cl6.4 N8 O8 -","4","1","","Li, Zuhao; Zhou, Zhiruo; Yang, Kun; Yao, Yifan; Zhai, Yaxin; Wang, Dong; Zeng, Zebing","Dual-channel deep-NIR-emissive N-embedded PAHs with hybridized local and charge-transfer excited-state.","Chemical science","2025","16","36","16792","16800","10.1039/d5sc01897h","","x-ray","1.54184","CuKα","","0.1455","0.0923","","","0.1543","0.1744","","","","","","1.086","","","","has coordinates,has disorder","302370","2025-10-04","10:36:51",""
"1575951","36.0331","0.0011","21.65","0.0007","13.5723","0.0005","90","","108.747","0.002","90","","10026.3","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53.5 H32 Cl6 N2 O2 -","- C52 H32 N2 O2 -","- C416 H256 N16 O16 -","8","1","","Li, Zuhao; Zhou, Zhiruo; Yang, Kun; Yao, Yifan; Zhai, Yaxin; Wang, Dong; Zeng, Zebing","Dual-channel deep-NIR-emissive N-embedded PAHs with hybridized local and charge-transfer excited-state.","Chemical science","2025","16","36","16792","16800","10.1039/d5sc01897h","","","1.54178","CuKα","","0.1562","0.1119","","","0.3361","0.3848","","","","","","1.196","","","","has coordinates","302370","2025-10-04","10:36:52",""
"1575952","10.0703","0.0002","14.3818","0.0003","22.0499","0.0005","105.166","0.001","98.44","0.001","91.382","0.001","3042.32","0.11","150.15","","150.15","","","","","","","","","3","P -1","-P 1","2","","","","- C82 H80 N2 -","- C82 H80 N2 -","- C164 H160 N4 -","2","1","","Li, Zuhao; Zhou, Zhiruo; Yang, Kun; Yao, Yifan; Zhai, Yaxin; Wang, Dong; Zeng, Zebing","Dual-channel deep-NIR-emissive N-embedded PAHs with hybridized local and charge-transfer excited-state.","Chemical science","2025","16","36","16792","16800","10.1039/d5sc01897h","","","1.54178","CuKα","","0.0545","0.0418","","","0.1144","0.124","","","","","","1.044","","","","has coordinates","302370","2025-10-04","10:36:53",""
"1575953","13.7374","0.0016","12.6237","0.0015","15.635","0.0019","90","","90","","90","","2711.4","0.6","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C16 H21 B10 N2 O6 Zn -","- C16 H21 B10 N2 O6 Zn -","- C64 H84 B40 N8 O24 Zn4 -","4","0.5","","Liu, Changhong; Xiong, Guangzu; Wang, Yuzhe; Yang, Wenlei; Yuan, Yiwen; Wang, Hui; Wang, Lingyao; Zhang, Yuanbin","Moderately Polarized Carborane-MOF with Inverse C2 Selectivity for One-Step Polymer-Grade Ethylene Purification","Materials Horizons","2025","","","","","10.1039/D5MH01641J","","","0.6888","synchrotron","","0.1566","0.1224","","","0.3194","0.3468","","","","","","1.113","","","","has coordinates,has disorder","302382","2025-10-05","01:51:41",""
"1575954","12.743","0.0004","12.7623","0.0005","16.6375","0.0006","79.654","0.003","74.705","0.003","64.242","0.004","2344.01","0.17","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C106 H96 Ag2 Cl5 N6 O2 P6 -","- C106 H96 Ag2 Cl5 N6 O2 P6 -","- C106 H96 Ag2 Cl5 N6 O2 P6 -","1","0.5","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0641","0.05","","","0.1276","0.134","","","","","","1.054","","","","has coordinates,has disorder","302383","2025-10-05","07:36:40",""
"1575955","12.479","0.0008","12.5646","0.0006","17.5146","0.0008","81.271","0.004","88.818","0.005","62.631","0.006","2406.8","0.3","170.01","0.1","170.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50.66 H40.04 Ag2 N3 O6 P3 -","- C50.654 H40.045 Ag2 N3 O6 P3 -","- C101.308 H80.09 Ag4 N6 O12 P6 -","2","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.2515","0.1931","","","0.5289","0.5558","","","","","","2.025","","","","has coordinates,has disorder","302384","2025-10-05","07:37:24",""
"1575956","20.713","0.0008","23.02","0.0007","24.728","0.0008","90","","97.655","0.003","90","","11685.6","0.7","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H86 N4 Zn -","- C64 H86 N4 Zn -","- C512 H688 N32 Zn8 -","8","2","","Noor, Awal; Qayyum, Sadaf","Structural Characteristics of Homoleptic Zinc Complexes Incorporating Asymmetric Aminopyridinates","Crystals","2025","15","9","821","","10.3390/cryst15090821","","","0.71069","MoKα","","0.1221","0.0571","","","0.126","0.1498","","","","","","0.998","","","","has coordinates","302814","2025-10-06","18:36:12",""
"1575957","10.224","0.002","10.879","0.002","20.759","0.004","82.3","0.03","86.28","0.03","64.44","0.03","2064.1","0.9","133","2","133.15","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H58 N4 Zn -","- C50 H58 N4 Zn -","- C100 H116 N8 Zn2 -","2","1","","Noor, Awal; Qayyum, Sadaf","Structural Characteristics of Homoleptic Zinc Complexes Incorporating Asymmetric Aminopyridinates","Crystals","2025","15","9","821","","10.3390/cryst15090821","","","0.71073","MoKα","","0.1276","0.0566","","","0.131","0.1674","","","","","","0.908","","","","has coordinates","302815","2025-10-06","18:36:31",""
"1575958","28.0174","0.0005","27.1277","0.0007","33.8432","0.0006","90","","94.1706","0.0017","90","","25654.3","0.9","199.99","0.1","199.99","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C122.3 H167.2 N10 O37.3 -","- C115 H138 N10 O30 -","- C920 H1104 N80 O240 -","8","1","","Farooq, Saquib; Crochet, Aurelien; Kilbinger, Andreas F. M.","Design and synthesis of macrocycles with tuneable diameters and helical foldamers with customizable peripheral side chains.","Chemical science","2025","16","43","20570","20579","10.1039/d5sc04138d","","x-ray","1.54184","CuKα","","0.181","0.14","","","0.3976","0.4299","","","","","","1.608","","","","has coordinates,has disorder","303613","2025-11-29","18:21:07",""
"1575959","28.9569","0.0008","28.9569","0.0008","13.4749","0.0008","90","","90","","90","","11298.7","0.8","140","0.1","140","0.1","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C102 H40 N8 O34 -","- C92 N8 O24 -","- C368 N32 O96 -","4","0.25","","Farooq, Saquib; Crochet, Aurelien; Kilbinger, Andreas F. M.","Design and synthesis of macrocycles with tuneable diameters and helical foldamers with customizable peripheral side chains.","Chemical science","2025","16","43","20570","20579","10.1039/d5sc04138d","","x-ray","1.54184","CuKα","","0.2433","0.1626","","","0.4253","0.4878","","","","","","1.517","","","","has coordinates","303613","2025-11-29","18:21:08",""
"1575960","34.872","0.0018","10.7892","0.0006","35.963","0.002","90","","91.767","0.004","90","","13524.3","1.3","250","2","250","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C108 H146 N12 O36 S8 -","- C92 H100 N12 O28 -","- C368 H400 N48 O112 -","4","0.5","","Farooq, Saquib; Crochet, Aurelien; Kilbinger, Andreas F. M.","Design and synthesis of macrocycles with tuneable diameters and helical foldamers with customizable peripheral side chains.","Chemical science","2025","16","43","20570","20579","10.1039/d5sc04138d","","x-ray","1.54186","CuKα","","0.2111","0.1912","","","0.4374","0.4484","","","","","","1.358","","","","has coordinates","303613","2025-11-29","18:21:08",""
"1575961","32.3295","0.0016","8.6597","0.0004","16.7533","0.0008","90","","103.483","0.004","90","","4561","0.4","250","2","250","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H30 N2 O7 -","- C23 H30 N2 O7 -","- C184 H240 N16 O56 -","8","1","","Farooq, Saquib; Crochet, Aurelien; Kilbinger, Andreas F. M.","Design and synthesis of macrocycles with tuneable diameters and helical foldamers with customizable peripheral side chains.","Chemical science","2025","16","43","20570","20579","10.1039/d5sc04138d","","x-ray","0.71073","MoKα","","0.081","0.0509","","","0.1329","0.1515","","","","","","1.05","","","","has coordinates","303613","2025-11-29","18:21:08",""
"1575962","15.0059","0.0019","4.9727","0.0006","16.534","0.002","90","","102.643","0.005","90","","1203.8","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","IPXZ","IPXZ","","- C18 H11 N O -","- C18 H11 N O -","- C72 H44 N4 O4 -","4","1","","Wang, Zetian; Li, Ting; Song, Yongjun; Zhuang, Dajun; Yang, Sen; He, Lei","Over 260-fold enhancement of reverse intersystem crossing by a host-guest exciplex for a multiple resonance emitter toward efficient narrowband electroluminescence.","Chemical science","2025","16","44","21068","21078","10.1039/d5sc05928c","","","1.34139","GaKα","","0.097","0.0806","","","0.1995","0.2058","","","","","","1.139","","","","has coordinates","303596","2025-11-29","18:14:15",""
"1575963","16.2373","0.0009","7.596","0.0004","20.7374","0.0012","90","","90","","90","","2557.7","0.2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","IPTZ","IPTZ","","- C18 H11 N S -","- C18 H11 N S -","- C144 H88 N8 S8 -","8","1","","Wang, Zetian; Li, Ting; Song, Yongjun; Zhuang, Dajun; Yang, Sen; He, Lei","Over 260-fold enhancement of reverse intersystem crossing by a host-guest exciplex for a multiple resonance emitter toward efficient narrowband electroluminescence.","Chemical science","2025","16","44","21068","21078","10.1039/d5sc05928c","","","1.34139","GaKα","","0.0616","0.0594","","","0.159","0.1607","","","","","","1.059","","","","has coordinates","303596","2025-11-29","18:14:15",""
"1575964","16.3563","0.0014","20.6009","0.0017","7.9397","0.0007","90","","90","","90","","2675.3","0.4","183","","183","","","","","","","","","4","A e a 2","A 2 -2ab","41","IPSeZ","IPSeZ","","- C18 H11 N Se -","- C18 H11 N Se -","- C144 H88 N8 Se8 -","8","1","","Wang, Zetian; Li, Ting; Song, Yongjun; Zhuang, Dajun; Yang, Sen; He, Lei","Over 260-fold enhancement of reverse intersystem crossing by a host-guest exciplex for a multiple resonance emitter toward efficient narrowband electroluminescence.","Chemical science","2025","16","44","21068","21078","10.1039/d5sc05928c","","","1.34139","GaKα","","0.0359","0.0334","","","0.0905","0.0922","","","","","","1.068","","","","has coordinates","303596","2025-11-29","18:14:15",""
"1575965","33.257","0.004","7.2429","0.0007","20.523","0.002","90","","97.653","0.004","90","","4899.5","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","CAZ-Ph-IPXZ","CAZ-Ph-IPXZ","","- C36 H22 N2 O -","- C36 H22 N2 O -","- C288 H176 N16 O8 -","8","1","","Wang, Zetian; Li, Ting; Song, Yongjun; Zhuang, Dajun; Yang, Sen; He, Lei","Over 260-fold enhancement of reverse intersystem crossing by a host-guest exciplex for a multiple resonance emitter toward efficient narrowband electroluminescence.","Chemical science","2025","16","44","21068","21078","10.1039/d5sc05928c","","","1.34139","GaKα","","0.0428","0.0419","","","0.1113","0.1121","","","","","","1.024","","","","has coordinates","303596","2025-11-29","18:14:15",""
"1575966","17.1218","0.0011","17.1218","0.0011","19.1004","0.0014","90","","90","","120","","4849.2","0.6","243.15","","243.15","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","nia-d-TZB","","- C42 H24 Mn3 N18 O7 -","- C42 H24 Mn3 N18 O7 -","- C84 H48 Mn6 N36 O14 -","2","0.0833333","","Zhang, Wei-Hong; Ma, Ya-Nan; Du, Guo-Tong; Wang, Ping; Xue, Dong-Xu","Fluorine-mediated single-step ethylene purification in face-transitive metal-organic frameworks from binary to ternary gas mixtures.","Chemical science","2025","16","47","22348","22356","10.1039/d5sc06836c","","","1.54178","CuKα","","0.0473","0.0468","","","0.1194","0.1201","","","","","","1.075","","","","has coordinates,has disorder","304089","2025-12-06","22:16:28",""
"1575967","17.0909","0.0009","17.0909","0.0009","19.1443","0.0015","90","","90","","120","","4842.8","0.5","243","","243","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","nia-d-FTZB","","- C42 H21 F3 Mn3 N18 O7 -","- C42 H21 F3 Mn3 N18 O7 -","- C84 H42 F6 Mn6 N36 O14 -","2","0.0833333","","Zhang, Wei-Hong; Ma, Ya-Nan; Du, Guo-Tong; Wang, Ping; Xue, Dong-Xu","Fluorine-mediated single-step ethylene purification in face-transitive metal-organic frameworks from binary to ternary gas mixtures.","Chemical science","2025","16","47","22348","22356","10.1039/d5sc06836c","","","1.54178","CuKα","","0.0543","0.0529","","","0.1441","0.1463","","","","","","1.066","","","","has coordinates,has disorder","304089","2025-12-06","22:16:28",""
"1575968","12.4604","0.0001","11.5578","0.0001","15.4703","0.0001","90","","107.615","0.001","90","","2123.49","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H64 Dy2 N4 -","- C46 H64 Dy2 N4 -","- C92 H128 Dy4 N8 -","2","0.5","","Benner, Florian; Deshapriya, Saroshan; Demir, Selvan","A tetraazanaphthalene radical-bridged dysprosium single-molecule magnet with a large coercive field.","Chemical science","2025","16","44","20806","20822","10.1039/d5sc05358g","","x-ray","1.54184","CuKα","","0.0288","0.027","","","0.0635","0.0643","","","","","","1.097","","","","has coordinates,has disorder","303599","2025-11-29","18:15:11",""
"1575969","10.567","0.0001","12.6463","0.0001","25.5268","0.0002","77.5","0.001","78.954","0.001","83.572","0.001","3259.82","0.05","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C70 H64 B Dy2 F20 N4 -","- C70 H64 B Dy2 F20 N4 -","- C140 H128 B2 Dy4 F40 N8 -","2","1","","Benner, Florian; Deshapriya, Saroshan; Demir, Selvan","A tetraazanaphthalene radical-bridged dysprosium single-molecule magnet with a large coercive field.","Chemical science","2025","16","44","20806","20822","10.1039/d5sc05358g","","x-ray","1.54184","CuKα","","0.041","0.0383","","","0.0974","0.0991","","","","","","1.058","","","","has coordinates,has disorder","303599","2025-11-29","18:15:13",""
"1575970","11.4008","0.0003","11.5395","0.0004","15.8744","0.0006","92.725","0.003","108.344","0.003","99.419","0.003","1944.61","0.12","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 B Cu N4 -","- C50 H42 B Cu N4 -","- C100 H84 B2 Cu2 N8 -","2","1","","Takeyama, Tomoyuki; Shirabe, Daisuke; Hamamoto, Nobutsugu; Ohta, Takehiro","Complexation-Induced Reduction of CuII to CuI Promoted by a Distorted Tetrahedral N4-Type Schiff-Base Ligand","Inorganics","2025","13","10","327","","10.3390/inorganics13100327","","x-ray","1.54184","CuKα","","0.0577","0.0508","","","0.137","0.1424","","","","","","1.022","","","","has coordinates","302825","2025-10-06","23:25:02",""
"1575971","11.8459","0.0003","19.8379","0.0004","11.8919","0.0003","90","","117.494","0.003","90","","2478.95","0.12","100","0.1","100","0.1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C54 H44 Cu2 F6 N8 O6 S2 -","- C54 H44 Cu2 F6 N8 O6 S2 -","- C108 H88 Cu4 F12 N16 O12 S4 -","2","1","","Takeyama, Tomoyuki; Shirabe, Daisuke; Hamamoto, Nobutsugu; Ohta, Takehiro","Complexation-Induced Reduction of CuII to CuI Promoted by a Distorted Tetrahedral N4-Type Schiff-Base Ligand","Inorganics","2025","13","10","327","","10.3390/inorganics13100327","","x-ray","1.54184","CuKα","","0.0483","0.0452","","","0.114","0.1157","","","","","","1.032","","","","has coordinates","302826","2025-10-06","23:26:14",""
"1575972","15.8","0.006","8.357","0.003","16.344","0.006","90","","103.866","0.01","90","","2095.2","1.3","296","2","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Ph2NNN)CrCl3","(Ph2NNN)CrCl3","","- C19 H17 Cl3 Cr N3 O -","- C19 H15 Cl3 Cr N3 -","- C76 H60 Cl12 Cr4 N12 -","4","1","","Narjinari, Himani; Dhole, Sunil; Kumar, Akshai","Catalytic Value Addition of Glycerol to Lactic Acid by Chromium Chloride and its Corresponding Pincer Complex","Catalysis Science & Technology","2025","","","","","10.1039/D5CY01041A","","","0.71073","MoKα","","0.1029","0.0761","","","0.122","0.1337","","","","","","1.223","","","","has coordinates","302848","2025-10-15","21:51:49",""
"1575973","7.181","0.0006","19.2695","0.0018","25.099","0.002","90","","98.181","0.002","90","","3437.7","0.5","145","2","145","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","Rh6","","","- C29 H40 B Cl3 F4 N3 O3 Rh Si -","- C29 H40 B Cl3 F4 N3 O3 Rh Si -","- C116 H160 B4 Cl12 F16 N12 O12 Rh4 Si4 -","4","1","","Atwi, Boshra; Wang, Dongren; Bruckner, Johanna R.; Frey, Wolfgang; Buchmeiser, Michael R.","Confinement-induced Z-selectivity in the rhodium N-heterocyclic carbene-catalyzed hydroboration of terminal alkynes","Catalysis Science & Technology","2025","15","23","7059","7066","10.1039/D5CY00860C","","","0.71073","MoKα","","0.0817","0.053","","","0.1167","0.132","","","","","","1.048","","","","has coordinates,has disorder","303506","2025-11-29","17:12:40",""
"1575974","7.1511","0.0004","18.5598","0.0014","24.6117","0.0018","90","","94.408","0.003","90","","3256.9","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Rh5","","","- C29 H40 Cl4 N3 O3 Rh Si -","- C29 H40 Cl4 N3 O3 Rh Si -","- C116 H160 Cl16 N12 O12 Rh4 Si4 -","4","1","","Atwi, Boshra; Wang, Dongren; Bruckner, Johanna R.; Frey, Wolfgang; Buchmeiser, Michael R.","Confinement-induced Z-selectivity in the rhodium N-heterocyclic carbene-catalyzed hydroboration of terminal alkynes","Catalysis Science & Technology","2025","15","23","7059","7066","10.1039/D5CY00860C","","","0.71073","MoKα","","0.1321","0.0586","","","0.1031","0.1217","","","","","","1.024","","","","has coordinates","303506","2025-11-29","17:12:41",""
"1575975","11.089","0.002","12.165","0.003","14.201","0.005","99.026","0.008","101.031","0.008","116.881","0.006","1611","0.8","150","2","150","2","","","","","","","","8","P -1","-P 1","2","Rh3","","","- C28 H43 B F4 N3 O4 Rh Si -","- C28 H43 B F4 N3 O4 Rh Si -","- C56 H86 B2 F8 N6 O8 Rh2 Si2 -","2","1","","Atwi, Boshra; Wang, Dongren; Bruckner, Johanna R.; Frey, Wolfgang; Buchmeiser, Michael R.","Confinement-induced Z-selectivity in the rhodium N-heterocyclic carbene-catalyzed hydroboration of terminal alkynes","Catalysis Science & Technology","2025","15","23","7059","7066","10.1039/D5CY00860C","","","0.71073","MoKα","","0.0669","0.0473","","","0.1136","0.1236","","","","","","1.045","","","","has coordinates,has disorder","303506","2025-11-29","17:12:41",""
"1575976","18.4067","0.0009","10.3962","0.0005","19.3564","0.0009","90","","109.753","0.003","90","","3486.1","0.3","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C73 H128 N2 U2 -","- C73 H128 N2 U2 -","- C146 H256 N4 U4 -","2","0.5","","Shephard, Angus C. G.; Pedussaut, Lucie; De Marchi, Linda; Demonti, Luca; Rajeshkumar, Thayalan; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Simler, Thomas; Nocton, Grégory","Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium.","Chemical science","2025","16","45","21334","21345","10.1039/d5sc07194a","","x-ray","0.71073","MoKα","","0.1211","0.0629","","","0.1438","0.1742","","","","","","1.015","","","","has coordinates,has disorder","303669","2025-11-29","18:43:48",""
"1575977","14.2226","0.0004","14.7263","0.0003","22.8579","0.0006","78.484","0.002","83.187","0.002","65.206","0.002","4255.4","0.2","150","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H141 I N2 U3 -","- C89 H141 I N2 U3 -","- C178 H282 I2 N4 U6 -","2","1","","Shephard, Angus C. G.; Pedussaut, Lucie; De Marchi, Linda; Demonti, Luca; Rajeshkumar, Thayalan; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Simler, Thomas; Nocton, Grégory","Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium.","Chemical science","2025","16","45","21334","21345","10.1039/d5sc07194a","","","0.71073","MoKα","","0.0567","0.0324","","","0.0667","0.0716","","","","","","0.981","","","","has coordinates,has disorder","303669","2025-11-29","18:43:49",""
"1575978","10.5775","0.0012","25.372","0.004","21.043","0.003","90","","101.426","0.009","90","","5535.4","1.3","150","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H97 N2 O U2 -","- C55 H97 N2 O U2 -","- C220 H388 N8 O4 U8 -","4","1","","Shephard, Angus C. G.; Pedussaut, Lucie; De Marchi, Linda; Demonti, Luca; Rajeshkumar, Thayalan; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Simler, Thomas; Nocton, Grégory","Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium.","Chemical science","2025","16","45","21334","21345","10.1039/d5sc07194a","","","0.71073","MoKα","","0.0672","0.0536","","","0.1376","0.1487","","","","","","1.06","","","","has coordinates,has disorder","303669","2025-11-29","18:43:49",""
"1575979","14.0922","0.0003","14.3701","0.0003","23.5776","0.0005","77.506","0.002","82.208","0.002","65.737","0.002","4243.94","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H140 I N2 U3 -","- C89 H140 I N2 U3 -","- C178 H280 I2 N4 U6 -","2","1","","Shephard, Angus C. G.; Pedussaut, Lucie; De Marchi, Linda; Demonti, Luca; Rajeshkumar, Thayalan; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Simler, Thomas; Nocton, Grégory","Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium.","Chemical science","2025","16","45","21334","21345","10.1039/d5sc07194a","","","0.71073","MoKα","","0.0375","0.0254","","","0.0567","0.0594","","","","","","1.009","","","","has coordinates,has disorder","303669","2025-11-29","18:43:49",""
"1575980","44.3908","0.0007","11.6107","0.0002","56.6934","0.0011","90","","101.829","0.001","90","","28599.7","0.9","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C73 H130 N2 U2 -","- C73 H130 N2 U2 -","- C1168 H2080 N32 U32 -","16","2","","Shephard, Angus C. G.; Pedussaut, Lucie; De Marchi, Linda; Demonti, Luca; Rajeshkumar, Thayalan; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Simler, Thomas; Nocton, Grégory","Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium.","Chemical science","2025","16","45","21334","21345","10.1039/d5sc07194a","","","0.71073","MoKα","","0.0774","0.0447","","","0.0924","0.1041","","","","","","1.048","","","","has coordinates","303669","2025-11-29","18:43:49",""
"1575981","11.254","0.003","8.328","0.002","13.391","0.004","90","","91.61","0.011","90","","1254.6","0.6","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 N O3 Si -","- C28 H27 N O3 Si -","- C56 H54 N2 O6 Si2 -","2","1","","Liu, Si-Yi; Zhu, Zi-Qi; Chen, Fei-Xiao; Feng, Ni-Na; Ni, Shao-Fei; Shi, Feng","Catalytic asymmetric synthesis of indole-based atropisomers bearing silicon-stereogenic centers.","Chemical science","2025","16","45","21394","21403","10.1039/d5sc05320j","","","1.34139","GaKα","","0.1658","0.0842","","","0.2107","0.2601","","","","","","1.001","","","","has coordinates","303670","2025-11-29","18:44:02",""
"1575982","21.78196","0.0001","15.03091","0.00007","24.1043","0.00013","90","","92.8717","0.0004","90","","7881.9","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H104 Ce Mo10 N5 O36.5 -","- C44 H104 Ce Mo10 N5 O36.5 -","- C176 H416 Ce4 Mo40 N20 O146 -","4","1","","Shiels, Dominic; Pittalis, Michele; Gunarathna, Nadeeshan; Berlfein, Adriana C.; Brennessel, William W.; Ruggiero, Michael T.; Matson, Ellen M.","Isolation of Ce(iv) centered polyoxoalkoxide sandwich-type complexes allows comparison of metal-oxygen bond covalency.","Chemical science","2025","16","46","21917","21931","10.1039/d5sc06415e","","x-ray","1.54184","CuKα","","0.0503","0.0481","","","0.1091","0.1102","","","","","","1.112","","","","has coordinates,has disorder","303645","2025-11-29","18:32:41",""
"1575983","13.11989","0.00007","14.37437","0.0001","25.938","0.0002","77.006","0.0006","89.2214","0.0005","75.4995","0.0005","4609.83","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C59 H144 Ce Mo2 N5 O39 W8 -","- C59 H144 Ce Mo2 N5 O39 W8 -","- C118 H288 Ce2 Mo4 N10 O78 W16 -","2","1","","Shiels, Dominic; Pittalis, Michele; Gunarathna, Nadeeshan; Berlfein, Adriana C.; Brennessel, William W.; Ruggiero, Michael T.; Matson, Ellen M.","Isolation of Ce(iv) centered polyoxoalkoxide sandwich-type complexes allows comparison of metal-oxygen bond covalency.","Chemical science","2025","16","46","21917","21931","10.1039/d5sc06415e","","x-ray","1.54184","CuKα","","0.0298","0.0287","","","0.0627","0.0632","","","","","","1.108","","","","has coordinates,has disorder","303645","2025-11-29","18:32:42",""
"1575984","21.8546","0.0002","15.1007","0.0001","24.2678","0.0002","90","","92.809","0.001","90","","7999.23","0.11","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H104 Ce Mo2 N5 O36.5 W8 -","- C44 H104 Ce Mo2 N5 O36.5 W8 -","- C176 H416 Ce4 Mo8 N20 O146 W32 -","4","1","","Shiels, Dominic; Pittalis, Michele; Gunarathna, Nadeeshan; Berlfein, Adriana C.; Brennessel, William W.; Ruggiero, Michael T.; Matson, Ellen M.","Isolation of Ce(iv) centered polyoxoalkoxide sandwich-type complexes allows comparison of metal-oxygen bond covalency.","Chemical science","2025","16","46","21917","21931","10.1039/d5sc06415e","","x-ray","1.54184","CuKα","","0.0417","0.038","","","0.083","0.0848","","","","","","1.048","","","","has coordinates,has disorder","303645","2025-11-29","18:32:42",""
"1575985","23.9256","0.0001","22.6161","0.0001","18.2707","0.0001","90","","108.191","0.001","90","","9392.24","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H142 Ce Mo10 N5 O37 -","- C60 H142 Ce Mo10 N5 O37 -","- C240 H568 Ce4 Mo40 N20 O148 -","4","1","","Shiels, Dominic; Pittalis, Michele; Gunarathna, Nadeeshan; Berlfein, Adriana C.; Brennessel, William W.; Ruggiero, Michael T.; Matson, Ellen M.","Isolation of Ce(iv) centered polyoxoalkoxide sandwich-type complexes allows comparison of metal-oxygen bond covalency.","Chemical science","2025","16","46","21917","21931","10.1039/d5sc06415e","","x-ray","1.54184","CuKα","","0.0274","0.0263","","","0.066","0.0667","","","","","","1.066","","","","has coordinates,has disorder","303645","2025-11-29","18:32:42",""
"1575986","15.6604","0.0006","15.6604","0.0006","48.736","0.003","90","","90","","120","","10351.1","0.8","223","","223","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C108 H90 Br12 Mn3 S6 -","- C108 H90 Br12 Mn3 S6 -","- C432 H360 Br48 Mn12 S24 -","4","0.222222","","Wang, Mengzhu; Li, Xiaolong; Zou, Siwen; Cui, Haixia; Deng, Yongjing; Li, Jiangang; Jiang, Yi; Wang, Longlu; Liu, Shujuan; Zhao, Qiang; Ma, Yun","Near-unity and narrow green emission from a manganese(ii) bromide for efficient WLEDs and 3D X-ray imaging.","Chemical science","2025","16","45","21423","21432","10.1039/d5sc04721h","","","0.71073","MoKα","","0.0353","0.0294","","","0.0618","0.0648","","","","","","1.034","","","","has coordinates","303668","2025-11-29","18:43:09",""
"1575987","9.29","0.0003","17.7124","0.0005","21.3537","0.0005","90","","99.555","0.001","90","","3464.97","0.17","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl4 Mn S2 -","- C36 H30 Cl4 Mn S2 -","- C144 H120 Cl16 Mn4 S8 -","4","1","","Wang, Mengzhu; Li, Xiaolong; Zou, Siwen; Cui, Haixia; Deng, Yongjing; Li, Jiangang; Jiang, Yi; Wang, Longlu; Liu, Shujuan; Zhao, Qiang; Ma, Yun","Near-unity and narrow green emission from a manganese(ii) bromide for efficient WLEDs and 3D X-ray imaging.","Chemical science","2025","16","45","21423","21432","10.1039/d5sc04721h","","","0.71073","MoKα","","0.0421","0.0318","","","0.0726","0.0806","","","","","","1.064","","","","has coordinates","303668","2025-11-29","18:43:10",""
"1575988","7.0485","0.0002","7.2975","0.0002","14.107","0.0005","78.535","0.002","78.684","0.001","79.098","0.001","688.75","0.04","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cu N2 O4 S2 -","- C12 H12 Cu N2 O4 S2 -","- C24 H24 Cu2 N4 O8 S4 -","2","1","","Mishra, Atreyee; Black, Dominic J.; Bradford, Thomas S.; Djoko, Karrera Y.; Hofmann, Benjamin J.; Hunter, Jamie J.; Lord, Rianne M.; Pal, Robert; Smart, Harvey J.; Stringer, Tameryn; Walton, James W.","Copper pyrithione complexes with endoplasmic reticulum localisation showing anticancer activity <i>via</i> ROS generation.","Chemical science","2025","16","44","21104","21110","10.1039/d4sc06628f","","x-ray","0.71073","MoKα","","0.0552","0.0413","","","0.0763","0.0809","","","","","","1.0277","","","","has coordinates","303590","2025-11-29","18:11:32",""
"1575989","4.1289","0.0003","7.5872","0.0005","10.9528","0.0007","72.074","0.003","89.98","0.003","83.141","0.003","323.88","0.04","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cu N2 O2 S2 -","- C12 H12 Cu N2 O2 S2 -","- C12 H12 Cu N2 O2 S2 -","1","0.5","","Mishra, Atreyee; Black, Dominic J.; Bradford, Thomas S.; Djoko, Karrera Y.; Hofmann, Benjamin J.; Hunter, Jamie J.; Lord, Rianne M.; Pal, Robert; Smart, Harvey J.; Stringer, Tameryn; Walton, James W.","Copper pyrithione complexes with endoplasmic reticulum localisation showing anticancer activity <i>via</i> ROS generation.","Chemical science","2025","16","44","21104","21110","10.1039/d4sc06628f","","x-ray","0.71073","MoKα","","0.0471","0.0334","","","0.0698","0.0744","","","","","","1.062","","","","has coordinates","303590","2025-11-29","18:11:33",""
"1575990","16.8078","0.0005","13.2442","0.0004","18.6661","0.0005","90","","90","","90","","4155.2","0.2","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Cu N2 O4 S2 -","- C12 H12 Cu N2 O4 S2 -","- C144 H144 Cu12 N24 O48 S24 -","12","1.5","","Mishra, Atreyee; Black, Dominic J.; Bradford, Thomas S.; Djoko, Karrera Y.; Hofmann, Benjamin J.; Hunter, Jamie J.; Lord, Rianne M.; Pal, Robert; Smart, Harvey J.; Stringer, Tameryn; Walton, James W.","Copper pyrithione complexes with endoplasmic reticulum localisation showing anticancer activity <i>via</i> ROS generation.","Chemical science","2025","16","44","21104","21110","10.1039/d4sc06628f","","","0.71073","MoKα","","0.0538","0.0438","","","0.0849","0.0882","","","","","","1.124","","","","has coordinates","303590","2025-11-29","18:11:33",""
"1575991","7.478","0.003","13.63","0.005","6.982","0.002","90","","106.895","0.009","90","","680.9","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cu N2 O2 S2 -","- C12 H12 Cu N2 O2 S2 -","- C24 H24 Cu2 N4 O4 S4 -","2","0.5","","Mishra, Atreyee; Black, Dominic J.; Bradford, Thomas S.; Djoko, Karrera Y.; Hofmann, Benjamin J.; Hunter, Jamie J.; Lord, Rianne M.; Pal, Robert; Smart, Harvey J.; Stringer, Tameryn; Walton, James W.","Copper pyrithione complexes with endoplasmic reticulum localisation showing anticancer activity <i>via</i> ROS generation.","Chemical science","2025","16","44","21104","21110","10.1039/d4sc06628f","","x-ray","0.71073","MoKα","","0.1656","0.0795","","","0.1536","0.1768","","","","","","1.109","","","","has coordinates","303590","2025-11-29","18:11:33",""
"1575992","3.9634","0.0002","7.5851","0.0004","10.8927","0.0006","82.893","0.002","86.756","0.002","80.578","0.002","320.34","0.03","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cu N2 O2 S2 -","- C12 H12 Cu N2 O2 S2 -","- C12 H12 Cu N2 O2 S2 -","1","0.5","","Mishra, Atreyee; Black, Dominic J.; Bradford, Thomas S.; Djoko, Karrera Y.; Hofmann, Benjamin J.; Hunter, Jamie J.; Lord, Rianne M.; Pal, Robert; Smart, Harvey J.; Stringer, Tameryn; Walton, James W.","Copper pyrithione complexes with endoplasmic reticulum localisation showing anticancer activity <i>via</i> ROS generation.","Chemical science","2025","16","44","21104","21110","10.1039/d4sc06628f","","x-ray","0.71073","MoKα","","0.0332","0.0295","","","0.0697","0.0712","","","","","","1.076","","","","has coordinates","303590","2025-11-29","18:11:33",""
"1575993","4.4334","0.0002","12.6398","0.0006","13.3645","0.0007","98.982","0.002","94.392","0.002","90.911","0.002","737.26","0.06","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H6 Cu F6 N2 O2 S2 -","- C12 H6 Cu F6 N2 O2 S2 -","- C24 H12 Cu2 F12 N4 O4 S4 -","2","1","","Mishra, Atreyee; Black, Dominic J.; Bradford, Thomas S.; Djoko, Karrera Y.; Hofmann, Benjamin J.; Hunter, Jamie J.; Lord, Rianne M.; Pal, Robert; Smart, Harvey J.; Stringer, Tameryn; Walton, James W.","Copper pyrithione complexes with endoplasmic reticulum localisation showing anticancer activity <i>via</i> ROS generation.","Chemical science","2025","16","44","21104","21110","10.1039/d4sc06628f","","x-ray","0.71073","MoKα","","0.0426","0.0297","","","0.0707","0.0751","","","","","","1.046","","","","has coordinates","303590","2025-11-29","18:11:33",""
"1575994","12.159","0.002","13.757","0.002","18.045","0.002","72.811","0.005","78.756","0.006","78.868","0.006","2798.5","0.7","293.1","","","","","","","","","","","9","P -1","-P 1","2","","","","- C49.5 H71 B Cl N7 O2.625 Rh Ru Se2 -","- C49.5 H71 B Cl N7 O2.625 Rh Ru Se2 -","- C99 H142 B2 Cl2 N14 O5.25 Rh2 Ru2 Se4 -","2","1","","George, Tanner; Johnson, Erin R.; Masuda, Jason Douglas","Trapping Carbon Suboxide with a Carbene and Isolation of the Carbene-stabilized Carbon Suboxide Dimer","Chemical Science","2025","","","","","10.1039/D5SC06444A","","","0.7107","MoKα","","","0.043","","","","0.134","","","","","","1.063","","","","has coordinates","302866","2025-10-15","22:36:45",""
"1575995","11.2271","0.0007","19.3709","0.0013","20.1713","0.0013","90","","92.029","0.003","90","","4384.1","0.5","293.1","","","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 B Cl N6 O3 Rh Ru S2 -","- C41 H55 B Cl N6 O3 Rh Ru S2 -","- C164 H220 B4 Cl4 N24 O12 Rh4 Ru4 S8 -","4","1","","George, Tanner; Johnson, Erin R.; Masuda, Jason Douglas","Trapping Carbon Suboxide with a Carbene and Isolation of the Carbene-stabilized Carbon Suboxide Dimer","Chemical Science","2025","","","","","10.1039/D5SC06444A","","","0.7107","MoKα","","","0.039","","","","0.103","","","","","","1.113","","","","has coordinates","302866","2025-10-15","22:36:46",""
"1575996","13.9729","0.0003","12.1142","0.0002","16.6245","0.0004","90","","105.056","0.002","90","","2717.44","0.1","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C32 H56 Au8 S16 -","- C32 H56 Au8 S16 -","- C64 H112 Au16 S32 -","2","0.5","","George, Tanner; Johnson, Erin R.; Masuda, Jason Douglas","Trapping Carbon Suboxide with a Carbene and Isolation of the Carbene-stabilized Carbon Suboxide Dimer","Chemical Science","2025","","","","","10.1039/D5SC06444A","","x-ray","1.54184","CuKα","","0.0384","0.0307","","","0.0753","0.0798","","","","","","1.012","","","","has coordinates","302866","2025-10-15","22:36:46",""
"1575997","27.431","0.003","37.714","0.004","13.8529","0.001","90","","90","","90","","14331","2","99.91","0.19","99.91","0.19","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C64 H92 Au4 S8 -","- C64 H92 Au4 S8 -","- C512 H736 Au32 S64 -","8","1","","George, Tanner; Johnson, Erin R.; Masuda, Jason Douglas","Trapping Carbon Suboxide with a Carbene and Isolation of the Carbene-stabilized Carbon Suboxide Dimer","Chemical Science","2025","","","","","10.1039/D5SC06444A","","x-ray","1.54184","CuKα","","0.1291","0.067","","","0.1561","0.1933","","","","","","1.002","","","","has coordinates,has disorder","302866","2025-10-15","22:36:46",""
"1575998","11.233","0.002","19.361","0.003","20.392","0.003","90","","92.5895","0.0007","90","","4430.4","1.2","293.1","","","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 B Cl N6 O3 Rh Ru Se2 -","- C41 H55 B Cl N6 O3 Rh Ru Se2 -","- C164 H220 B4 Cl4 N24 O12 Rh4 Ru4 Se8 -","4","1","","George, Tanner; Johnson, Erin R.; Masuda, Jason Douglas","Trapping Carbon Suboxide with a Carbene and Isolation of the Carbene-stabilized Carbon Suboxide Dimer","Chemical Science","2025","","","","","10.1039/D5SC06444A","","","0.7107","MoKα","","","0.045","","","","0.139","","","","","","1.029","","","","has coordinates","302866","2025-10-15","22:36:46",""
"1575999","12.797","0.005","17.828","0.006","20.634","0.008","90","","106.032","0.002","90","","4524","3","293.1","","","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 B Cl N6 O Rh Ru S2 -","- C41 H47 B Cl N6 O Rh Ru S2 -","- C164 H188 B4 Cl4 N24 O4 Rh4 Ru4 S8 -","4","1","","George, Tanner; Johnson, Erin R.; Masuda, Jason Douglas","Trapping Carbon Suboxide with a Carbene and Isolation of the Carbene-stabilized Carbon Suboxide Dimer","Chemical Science","2025","","","","","10.1039/D5SC06444A","","","0.7107","MoKα","","","0.048","","","","0.156","","","","","","1.019","","","","has coordinates","302866","2025-10-15","22:36:46",""
"1576000","11.439","0.002","12.02","0.002","32.913","0.007","90","","96.291","0.0008","90","","4498.2","1.4","293.1","","","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 B Cl N6 O3 Rh Ru Te2 -","- C41 H55 B Cl N6 O3 Rh Ru Te2 -","- C164 H220 B4 Cl4 N24 O12 Rh4 Ru4 Te8 -","4","1","","George, Tanner; Johnson, Erin R.; Masuda, Jason Douglas","Trapping Carbon Suboxide with a Carbene and Isolation of the Carbene-stabilized Carbon Suboxide Dimer","Chemical Science","2025","","","","","10.1039/D5SC06444A","","","0.7107","MoKα","","","0.037","","","","0.114","","","","","","1.003","","","","has coordinates","302866","2025-10-15","22:36:47",""
"1576001","10.3172","0.0003","15.9926","0.0004","19.0057","0.0006","90","","93.582","0.001","90","","3129.79","0.16","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 N2 O4 -","- C32 H46 N2 O4 -","- C128 H184 N8 O16 -","4","1","","George, Tanner; Johnson, Erin R.; Masuda, Jason Douglas","Trapping Carbon Suboxide with a Carbene and Isolation of the Carbene-stabilized Carbon Suboxide Dimer","Chemical Science","2025","","","","","10.1039/D5SC06444A","","","0.71073","MoKα","","0.1159","0.0695","","","0.1836","0.2526","","","","","","1.113","","","","has coordinates,has disorder","302866","2025-10-15","22:36:47",""
"1576002","37.2579","0.0005","9.4052","0.00012","11.2549","0.0002","90","","97.6269","0.0015","90","","3909.03","0.1","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H29 Au S2 -","- C19 H29 Au S2 -","- C152 H232 Au8 S16 -","8","1","","George, Tanner; Johnson, Erin R.; Masuda, Jason Douglas","Trapping Carbon Suboxide with a Carbene and Isolation of the Carbene-stabilized Carbon Suboxide Dimer","Chemical Science","2025","","","","","10.1039/D5SC06444A","","x-ray","1.54184","CuKα","","0.0189","0.018","","","0.0461","0.0467","","","","","","1.052","","","","has coordinates","302866","2025-10-15","22:36:47",""
"1576003","13.66083","0.00016","27.3211","0.0003","29.4161","0.0003","114.063","0.0011","100.128","0.001","90.1641","0.0009","9834.6","0.2","220","0.1","220","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C100 H100 Au4 S8 -","- C100 H100 Au4 S8 -","- C400 H400 Au16 S32 -","4","2","","George, Tanner; Johnson, Erin R.; Masuda, Jason Douglas","Trapping Carbon Suboxide with a Carbene and Isolation of the Carbene-stabilized Carbon Suboxide Dimer","Chemical Science","2025","","","","","10.1039/D5SC06444A","","x-ray","1.54184","CuKα","","0.0796","0.0744","","","0.1917","0.1946","","","","","","1.068","","","","has coordinates","302866","2025-10-15","22:36:47",""
"1576004","11.5867","0.0006","14.9898","0.0009","15.6467","0.001","99.791","0.005","102.539","0.005","106.269","0.005","2468","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C94 H104 Au8 S16 -","- C94 H104 Au8 S16 -","- C94 H104 Au8 S16 -","1","0.5","","George, Tanner; Johnson, Erin R.; Masuda, Jason Douglas","Trapping Carbon Suboxide with a Carbene and Isolation of the Carbene-stabilized Carbon Suboxide Dimer","Chemical Science","2025","","","","","10.1039/D5SC06444A","","x-ray","1.54184","CuKα","","0.0497","0.0431","","","0.1162","0.123","","","","","","1","","","","has coordinates,has disorder","302866","2025-10-15","22:36:48",""
"1576005","9.2342","0.0001","31.6515","0.0004","10.3176","0.0001","90","","99.786","0.001","90","","2971.71","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cl3 N P2 S Sn -","- C30 H30 Cl3 N P2 S Sn -","- C120 H120 Cl12 N4 P8 S4 Sn4 -","4","1","","Jörges, Mike; Knyszek, Daniel; Kumar, Manoj; Swamy, Varre S. V. S. N.; Gessner, Viktoria H.","Isolation of a Lewis acid-base stabilized stannanone.","Chemical science","2025","16","44","21087","21093","10.1039/d5sc06549f","","x-ray","1.54184","CuKα","","0.0534","0.0522","","","0.1353","0.1368","","","","","","1.046","","","","has coordinates","303592","2025-11-29","18:12:15",""
"1576006","28.0096","0.0003","12.2995","0.0001","18.7039","0.0002","90","","94.742","0.001","90","","6421.51","0.11","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Cl2 N2 O P4 S2 Sn2 -","- C60 H60 Cl2 N2 O P4 S2 Sn2 -","- C240 H240 Cl8 N8 O4 P16 S8 Sn8 -","4","0.5","","Jörges, Mike; Knyszek, Daniel; Kumar, Manoj; Swamy, Varre S. V. S. N.; Gessner, Viktoria H.","Isolation of a Lewis acid-base stabilized stannanone.","Chemical science","2025","16","44","21087","21093","10.1039/d5sc06549f","","x-ray","1.54184","CuKα","","0.036","0.0341","","","0.0917","0.0933","","","","","","1.046","","","","has coordinates,has disorder","303592","2025-11-29","18:12:17",""
"1576007","19.7673","0.0001","15.7479","0.0001","19.8246","0.0001","90","","91.649","0.001","90","","6168.71","0.06","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C61 H62 B Cl3 F4 N2 P4 S2 Sn -","- C61 H62 B Cl3 F4 N2 P4 S2 Sn -","- C244 H248 B4 Cl12 F16 N8 P16 S8 Sn4 -","4","1","","Jörges, Mike; Knyszek, Daniel; Kumar, Manoj; Swamy, Varre S. V. S. N.; Gessner, Viktoria H.","Isolation of a Lewis acid-base stabilized stannanone.","Chemical science","2025","16","44","21087","21093","10.1039/d5sc06549f","","x-ray","1.54184","CuKα","","0.0412","0.0402","","","0.1021","0.1027","","","","","","1.035","","","","has coordinates,has disorder","303592","2025-11-29","18:12:17",""
"1576008","9.9416","0.0003","20.0598","0.0003","19.7546","0.0005","90","","124.943","0.004","90","","3229.4","0.2","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H43 Cl3 P2 S Sn -","- C31 H43 Cl3 P2 S Sn -","- C124 H172 Cl12 P8 S4 Sn4 -","4","1","","Jörges, Mike; Knyszek, Daniel; Kumar, Manoj; Swamy, Varre S. V. S. N.; Gessner, Viktoria H.","Isolation of a Lewis acid-base stabilized stannanone.","Chemical science","2025","16","44","21087","21093","10.1039/d5sc06549f","","x-ray","1.54184","CuKα","","0.042","0.0386","","","0.0954","0.0974","","","","","","1.062","","","","has coordinates","303592","2025-11-29","18:12:17",""
"1576009","11.0011","0.0005","14.224","0.0007","21.907","0.0007","102.299","0.003","94.481","0.003","110.011","0.004","3104.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C122 H124 Cl12 N4 P8 S4 Sn3 -","- C122 H124 Cl12 N4 P8 S4 Sn3 -","- C122 H124 Cl12 N4 P8 S4 Sn3 -","1","0.5","","Jörges, Mike; Knyszek, Daniel; Kumar, Manoj; Swamy, Varre S. V. S. N.; Gessner, Viktoria H.","Isolation of a Lewis acid-base stabilized stannanone.","Chemical science","2025","16","44","21087","21093","10.1039/d5sc06549f","","x-ray","1.54184","CuKα","","0.0753","0.0622","","","0.1646","0.1769","","","","","","1.045","","","","has coordinates","303592","2025-11-29","18:12:17",""
"1576010","19.897","0.0003","17.9304","0.0001","19.0955","0.0003","90","","113.58","0.002","90","","6243.7","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H72 N4 P2 S2 Si4 Sn2 -","- C58 H72 N4 P2 S2 Si4 Sn2 -","- C232 H288 N16 P8 S8 Si16 Sn8 -","4","1","","Jörges, Mike; Knyszek, Daniel; Kumar, Manoj; Swamy, Varre S. V. S. N.; Gessner, Viktoria H.","Isolation of a Lewis acid-base stabilized stannanone.","Chemical science","2025","16","44","21087","21093","10.1039/d5sc06549f","","x-ray","1.54184","CuKα","","0.0285","0.0256","","","0.0645","0.0659","","","","","","1.017","","","","has coordinates","303592","2025-11-29","18:12:17",""
"1576011","9.4598","0.0006","9.2763","0.0006","9.9121","0.0006","90","","113.432","0.002","90","","798.08","0.09","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C2 H9 Cl N O4 P Zn -","- C2 H9 Cl N O4 P Zn -","- C8 H36 Cl4 N4 O16 P4 Zn4 -","4","1","","Tang, Ru-Ling; Yue Wang, ?; Lv, Yi-Lei; Miao, Bing-Wei; Liu, Wenlong; Guo, Sheng-Ping","Significant enhancement in the birefringence of metal phosphite halides <i>via</i> the introduction of π-conjugated cations.","Chemical science","2025","16","46","22021","22028","10.1039/d5sc04977f","","","0.71073","MoKα","","0.0291","0.0209","","","0.0457","0.048","","","","","","1.088","","","","has coordinates","303646","2025-11-29","18:33:09",""
"1576012","16.1039","0.0008","18.17","0.001","7.4568","0.0005","90","","90","","90","","2181.9","0.2","269","","273.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","a","","- C5 H9 Cl2 N2 O3 P Zn -","- C5 H9 Cl2 N2 O3 P Zn -","- C40 H72 Cl16 N16 O24 P8 Zn8 -","8","1","","Tang, Ru-Ling; Yue Wang, ?; Lv, Yi-Lei; Miao, Bing-Wei; Liu, Wenlong; Guo, Sheng-Ping","Significant enhancement in the birefringence of metal phosphite halides <i>via</i> the introduction of π-conjugated cations.","Chemical science","2025","16","46","22021","22028","10.1039/d5sc04977f","","","0.71073","MoKα","","0.0592","0.0326","","","0.0587","0.065","","","","","","1.033","","","","has coordinates","303646","2025-11-29","18:33:11",""
"1576013","19.52","0.004","38.42","0.008","35.47","0.007","90","","97.85","0.03","90","","26352","9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C218 H236 Cl6 -","- C218 H236 Cl6 -","- C872 H944 Cl24 -","4","1","","Fukunaga, Toshiya M.; Takaba, Kiyofumi; Yoshida, Satoshi; Maki-Yonekura, Saori; Yonekura, Koji; Isobe, Hiroyuki","Expanded segments of three-dimensional carbonaceous nets with chirality: synthesis and structures.","Chemical science","2025","16","42","19594","19600","10.1039/d5sc06999h","","","0.9","synchrotron","","0.2438","0.1977","","","0.5379","0.5712","","","","","","1.561","","","","has coordinates,has disorder","303630","2025-11-29","18:27:12",""
"1576014","23.17","0.02","25.09","0.03","42.23","0.04","92.43","0.05","105.74","0.05","117.31","0.05","20592","4","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C408 H456 B12 O12 -","- C408 H456 B12 O12 -","- C816 H912 B24 O24 -","2","1","","Fukunaga, Toshiya M.; Takaba, Kiyofumi; Yoshida, Satoshi; Maki-Yonekura, Saori; Yonekura, Koji; Isobe, Hiroyuki","Expanded segments of three-dimensional carbonaceous nets with chirality: synthesis and structures.","Chemical science","2025","16","42","19594","19600","10.1039/d5sc06999h","","","0.01968","electron","","0.5573","0.4576","","","0.7758","0.8198","","","","","","2.759","","","","has coordinates","303630","2025-11-29","18:27:13",""
"1576015","6.5367","0.0002","8.6085","0.0002","10.8444","0.0005","71.974","0.008","82.221","0.009","72.695","0.008","553.38","0.05","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H32 O8 Si4 -","- C12 H32 O8 Si4 -","- C12 H32 O8 Si4 -","1","0.5","","Nguyen, Hera T.; Sbaraini, Nicolau; Bracegirdle, Joe; Smithers, Luke; Moggach, Stephen A.; Vuong, Daniel; Lacey, Ernest; Solomon, Peter S.; Haywood, Joel; Piggott, Andrew M.; Chooi, Yit-Heng","Heterologous expression of an <i>in planta</i>-upregulated gene cluster in the wheat pathogen <i>Parastagonospora nodorum</i> establishes the biosynthesis of methylene-bridged depsides.","Chemical science","2025","16","46","21852","21861","10.1039/d5sc05442g","","","0.7107","MoKα","","","0.058","","","","0.162","","","","","","1.519","","","","has coordinates","303644","2025-11-29","18:32:14",""
"1576016","7.3057","0.0003","8.9953","0.0004","14.6402","0.0003","90.071","0.002","99.076","0.003","111.84","0.004","879.99","0.06","100.02","0.1","100.02","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O8 -","- C20 H22 O8 -","- C40 H44 O16 -","2","1","","Nguyen, Hera T.; Sbaraini, Nicolau; Bracegirdle, Joe; Smithers, Luke; Moggach, Stephen A.; Vuong, Daniel; Lacey, Ernest; Solomon, Peter S.; Haywood, Joel; Piggott, Andrew M.; Chooi, Yit-Heng","Heterologous expression of an <i>in planta</i>-upregulated gene cluster in the wheat pathogen <i>Parastagonospora nodorum</i> establishes the biosynthesis of methylene-bridged depsides.","Chemical science","2025","16","46","21852","21861","10.1039/d5sc05442g","","x-ray","1.54184","CuKα","","0.0743","0.0652","","","0.1789","0.1873","","","","","","1.072","","","","has coordinates","303644","2025-11-29","18:32:15",""
"1576017","16.6109","0.0015","9.0434","0.0005","25.32","0.002","90","","104.606","0.009","90","","3680.6","0.5","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 O9 -","- C19 H20 O8 -","- C152 H160 O64 -","8","1","","Nguyen, Hera T.; Sbaraini, Nicolau; Bracegirdle, Joe; Smithers, Luke; Moggach, Stephen A.; Vuong, Daniel; Lacey, Ernest; Solomon, Peter S.; Haywood, Joel; Piggott, Andrew M.; Chooi, Yit-Heng","Heterologous expression of an <i>in planta</i>-upregulated gene cluster in the wheat pathogen <i>Parastagonospora nodorum</i> establishes the biosynthesis of methylene-bridged depsides.","Chemical science","2025","16","46","21852","21861","10.1039/d5sc05442g","","x-ray","1.54184","CuKα","","0.1232","0.1142","","","0.2107","0.2147","","","","","","1.179","","","","has coordinates,has disorder","303644","2025-11-29","18:32:16",""
"1576018","9.8628","0.0006","14.8091","0.0011","15.4382","0.0011","97.723","0.003","93.763","0.002","105.157","0.002","2144.7","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","octakis(3-(p-tolylthio)propyl)octasilsesquioxane","","- C40 H52 O6 S4 Si4 -","- C40 H52 O6 S4 Si4 -","- C80 H104 O12 S8 Si8 -","2","1","","Nguyen, Hera T.; Sbaraini, Nicolau; Bracegirdle, Joe; Smithers, Luke; Moggach, Stephen A.; Vuong, Daniel; Lacey, Ernest; Solomon, Peter S.; Haywood, Joel; Piggott, Andrew M.; Chooi, Yit-Heng","Heterologous expression of an <i>in planta</i>-upregulated gene cluster in the wheat pathogen <i>Parastagonospora nodorum</i> establishes the biosynthesis of methylene-bridged depsides.","Chemical science","2025","16","46","21852","21861","10.1039/d5sc05442g","","x-ray","0.71073","MoKα","","0.0298","0.0274","","","0.0714","0.073","","","","","","1.047","","","","has coordinates","303644","2025-11-29","18:32:16",""
"1576019","6.2724","0.0001","12.6137","0.0001","22.639","0.0003","90","","90","","90","","1791.16","0.04","172.99","0.1","172.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Pan, Renming; Zhu, Jie; Zhou, Xinjie; Wang, Minyan; Lu, Ping","Ligand-controlled divergent enantioselective hydroarylation of cyclobutenes.","Chemical science","2025","16","45","21498","21507","10.1039/d5sc05740j","","x-ray","1.54184","CuKα","","0.0297","0.0289","","","0.0733","0.0738","","","","","","1.051","","","","has coordinates","303667","2025-11-29","18:42:57",""
"1576020","7.6593","0.0005","8.7731","0.0006","11.3505","0.0008","70.661","0.006","83.531","0.006","83.032","0.006","712.21","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H11 As S -","- C19 H11 As S -","- C38 H22 As2 S2 -","2","1","","Nishimura, Kazutoshi; Iwamoto, Hiroki; Nishii, Yuji; Hirano, Koji","Synthesis of dibenzoarsole derivatives from biarylborates <i>via</i> the twofold formation of C-As bonds using arsenium dication equivalents.","Chemical science","2025","16","45","21433","21439","10.1039/d5sc05528h","","x-ray","1.54184","CuKα","","0.0753","0.0697","","","0.181","0.1901","","","","","","1.049","","","","has coordinates","303661","2025-11-29","18:41:18",""
"1576021","10.6239","0.0004","15.4931","0.0006","28.1103","0.0012","90","","100.43","0.001","90","","4550.4","0.3","273.15","","273.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C2.64 H3.58 Ag0.63 Cl0.32 F0.95 N0.42 O0.84 S0.42 -","- C2.52632 H3.47368 Ag0.631579 F0.947368 N0.421053 O0.842105 S0.421053 -","- C96 H132 Ag24 F36 N16 O32 S16 -","38","9.5","","Irie, Tsukasa; Sasaki, Kohki; Nozaki, Mika; Kawawaki, Tokuhisa; Takahashi, Shuntaro; Das, Saikat; Negishi, Yuichi","Reticular construction of a two-dimensional Ag<sub>12</sub> cluster-assembled material for rapid and selective luminescent sensing of antibiotics in aqueous media.","Nanoscale","2025","17","44","25495","25504","10.1039/d5nr03351a","","","0.71073","MoKα","","0.0685","0.051","","","0.1298","0.1403","","","","","","1.047","","","","has coordinates","303844","2025-11-29","21:30:05",""
"1576022","10.906","0.002","11.48","0.003","11.675","0.003","89.939","0.007","84.808","0.007","62.721","0.006","1292.5","0.5","240","2","240","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 N4 -","- C32 H26 N4 -","- C64 H52 N8 -","2","1","","Wang, Peng; Su, Ziyao; Yang, Zeqian; Cheng, Jianhua; Yang, Hengquan; Kibeye, Israel M.; Chen, Xia","Bimetallic aluminum complexes bearing β-pyridyl-enamino ligands: synthesis, characterization and their applications in the ring-opening polymerization of ε-caprolactone","Polymer Chemistry","2025","16","43","4745","4754","10.1039/D5PY00481K","","","0.71073","MoKα","","0.0808","0.0512","","","0.1277","0.1479","","","","","","1.048","","","","has coordinates","303969","2025-11-29","22:18:00",""
"1576023","6.9681","0.0004","16.3532","0.001","13.8506","0.0009","90","","90.087","0.002","90","","1578.28","0.17","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Al2 N4 -","- C36 H36 Al2 N4 -","- C72 H72 Al4 N8 -","2","0.5","","Wang, Peng; Su, Ziyao; Yang, Zeqian; Cheng, Jianhua; Yang, Hengquan; Kibeye, Israel M.; Chen, Xia","Bimetallic aluminum complexes bearing β-pyridyl-enamino ligands: synthesis, characterization and their applications in the ring-opening polymerization of ε-caprolactone","Polymer Chemistry","2025","16","43","4745","4754","10.1039/D5PY00481K","","","0.71073","MoKα","","0.0542","0.0414","","","0.0966","0.1039","","","","","","1.062","","","","has coordinates","303969","2025-11-29","22:18:01",""
"1576024","11.643","0.0005","15.3732","0.0007","16.1792","0.0009","90","","105.923","0.001","90","","2784.8","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Al2 N4 -","- C30 H32 Al2 N4 -","- C120 H128 Al8 N16 -","4","0.5","","Wang, Peng; Su, Ziyao; Yang, Zeqian; Cheng, Jianhua; Yang, Hengquan; Kibeye, Israel M.; Chen, Xia","Bimetallic aluminum complexes bearing β-pyridyl-enamino ligands: synthesis, characterization and their applications in the ring-opening polymerization of ε-caprolactone","Polymer Chemistry","2025","16","43","4745","4754","10.1039/D5PY00481K","","","0.71073","MoKα","","0.0453","0.0398","","","0.1125","0.1174","","","","","","1.049","","","","has coordinates","303969","2025-11-29","22:18:01",""
"1576025","8.8109","0.0007","9.2205","0.0007","22.3313","0.0017","100.887","0.003","93.046","0.003","92.305","0.003","1776.7","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H44 Al2 N4 -","- C40 H44 Al2 N4 -","- C80 H88 Al4 N8 -","2","1","","Wang, Peng; Su, Ziyao; Yang, Zeqian; Cheng, Jianhua; Yang, Hengquan; Kibeye, Israel M.; Chen, Xia","Bimetallic aluminum complexes bearing β-pyridyl-enamino ligands: synthesis, characterization and their applications in the ring-opening polymerization of ε-caprolactone","Polymer Chemistry","2025","16","43","4745","4754","10.1039/D5PY00481K","","","0.71073","MoKα","","0.1","0.0659","","","0.1168","0.1284","","","","","","1.053","","","","has coordinates","303969","2025-11-29","22:18:01",""
"1576026","9.5455","0.0004","22.6077","0.0008","14.0459","0.0004","90","","98.6","0.001","90","","2997.05","0.19","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Al2 N4 -","- C32 H36 Al2 N4 -","- C128 H144 Al8 N16 -","4","1","","Wang, Peng; Su, Ziyao; Yang, Zeqian; Cheng, Jianhua; Yang, Hengquan; Kibeye, Israel M.; Chen, Xia","Bimetallic aluminum complexes bearing β-pyridyl-enamino ligands: synthesis, characterization and their applications in the ring-opening polymerization of ε-caprolactone","Polymer Chemistry","2025","16","43","4745","4754","10.1039/D5PY00481K","","","0.71073","MoKα","","0.0628","0.0449","","","0.1019","0.1121","","","","","","1.056","","","","has coordinates","303969","2025-11-29","22:18:01",""
"1576027","11.2674","0.0012","17.0489","0.0018","26.606","0.003","105.266","0.004","96.587","0.004","90.018","0.004","4895.6","0.9","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 Al2 N4 -","- C36 H36 Al2 N4 -","- C216 H216 Al12 N24 -","6","3","","Wang, Peng; Su, Ziyao; Yang, Zeqian; Cheng, Jianhua; Yang, Hengquan; Kibeye, Israel M.; Chen, Xia","Bimetallic aluminum complexes bearing β-pyridyl-enamino ligands: synthesis, characterization and their applications in the ring-opening polymerization of ε-caprolactone","Polymer Chemistry","2025","16","43","4745","4754","10.1039/D5PY00481K","","","0.71073","MoKα","","0.113","0.0937","","","0.2696","0.2959","","","","","","1.063","","","","has coordinates","303969","2025-11-29","22:18:01",""
"1576028","8.242","0.0008","9.4049","0.0009","15.0201","0.0014","103.39","0.003","98.22","0.002","103.075","0.003","1079.57","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 Cl N2 Pd -","- C25 H23 Cl N2 Pd -","- C50 H46 Cl2 N4 Pd2 -","2","1","","Fan, Huijun; Ma, Mengya; Dai, Shengyu","Enhanced suppression of chain transfer in ethylene (co)polymerization via synergistic axial substituent effects in pyridine-imine Ni(ii) and Pd(ii) catalysts","Polymer Chemistry","2025","16","43","4764","4773","10.1039/D5PY00857C","","","0.71073","MoKα","","0.0698","0.0626","","","0.1731","0.18","","","","","","1.06","","","","has coordinates,has disorder","303968","2025-11-29","22:17:42",""
"1576029","7.965","0.0008","11.224","0.0012","27.18","0.003","92.89","0.002","95.26","0.003","106.44","0.004","2313.3","0.4","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H43 Cl N2 Pd -","- C51 H43 Cl N2 Pd -","- C102 H86 Cl2 N4 Pd2 -","2","1","","Fan, Huijun; Ma, Mengya; Dai, Shengyu","Enhanced suppression of chain transfer in ethylene (co)polymerization via synergistic axial substituent effects in pyridine-imine Ni(ii) and Pd(ii) catalysts","Polymer Chemistry","2025","16","43","4764","4773","10.1039/D5PY00857C","","","0.71073","MoKα","","0.3027","0.1684","","","0.3794","0.4372","","","","","","1.023","","","","has coordinates,has disorder","303968","2025-11-29","22:17:42",""
"1576030","39.9365","0.0004","39.9365","0.0004","24.4862","0.0004","90","","90","","120","","33821.4","0.7","100","2","100","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C44 H21 O16 Zr3 -","- C44 H21 O16 Zr3 -","- C264 H126 O96 Zr18 -","6","0.25","","Ortín-Rubio, Borja; Yang, Yunhui; Borrego-Marin, Emilio; Rostoll-Berenguer, Jaume; Vila, Carlos; Juanhuix, Judith; Imaz, Inhar; Navarro, Jorge A. R.; Maspoch, Daniel","Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal-organic frameworks.","Chemical science","2025","16","45","21600","21613","10.1039/d5sc05365j","","","0.82653","synchrotron","","0.0828","0.0698","","","0.2395","0.2547","","","","","","0.985","","","","has coordinates","303663","2025-11-29","18:41:57",""
"1576031","14.462","0.001","35.446","0.002","26.498","0.002","90","","90","","90","","13583.4","1.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C128 H76 F4 O39 Y7 -","- C128 H76 F4 O39 Y7 -","- C512 H304 F16 O156 Y28 -","4","0.5","","Ortín-Rubio, Borja; Yang, Yunhui; Borrego-Marin, Emilio; Rostoll-Berenguer, Jaume; Vila, Carlos; Juanhuix, Judith; Imaz, Inhar; Navarro, Jorge A. R.; Maspoch, Daniel","Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal-organic frameworks.","Chemical science","2025","16","45","21600","21613","10.1039/d5sc05365j","","","0.82653","synchrotron","","0.0641","0.06","","","0.1944","0.1982","","","","","","1.1","","","","has coordinates","303663","2025-11-29","18:41:58",""
"1576032","22.2811","0.0008","33.7528","0.0009","24.5977","0.0004","90","","90","","90","","18498.7","0.9","100","2","100","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- C24 O9 Zr1.5 -","- C24 O9 Zr1.5 -","- C192 O72 Zr12 -","8","0.5","","Ortín-Rubio, Borja; Yang, Yunhui; Borrego-Marin, Emilio; Rostoll-Berenguer, Jaume; Vila, Carlos; Juanhuix, Judith; Imaz, Inhar; Navarro, Jorge A. R.; Maspoch, Daniel","Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal-organic frameworks.","Chemical science","2025","16","45","21600","21613","10.1039/d5sc05365j","","","0.82653","synchrotron","","0.1046","0.084","","","0.2617","0.2848","","","","","","1.058","","","","has coordinates","303663","2025-11-29","18:41:58",""
"1576033","14.1161","0.0004","18.8518","0.0004","40.3544","0.0004","90","","90","","90","","10738.9","0.4","100","2","100","2","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C51.43 O18.29 Zr3.43 -","- C50.2857 O18.2857 Zr3.42857 -","- C352 O128 Zr24 -","7","0.875","","Ortín-Rubio, Borja; Yang, Yunhui; Borrego-Marin, Emilio; Rostoll-Berenguer, Jaume; Vila, Carlos; Juanhuix, Judith; Imaz, Inhar; Navarro, Jorge A. R.; Maspoch, Daniel","Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal-organic frameworks.","Chemical science","2025","16","45","21600","21613","10.1039/d5sc05365j","","","0.82653","synchrotron","","0.1057","0.0812","","","0.2783","0.3019","","","","","","1.117","","","","has coordinates,has disorder","303663","2025-11-29","18:41:58",""
"1576034","21.1486","0.001","34.1491","0.001","24.7133","0.0005","90","","90","","90","","17848.1","1.1","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C52 H22 O16 Zr3 -","- C52 H22 O16 Zr3 -","- C208 H88 O64 Zr12 -","4","0.25","","Ortín-Rubio, Borja; Yang, Yunhui; Borrego-Marin, Emilio; Rostoll-Berenguer, Jaume; Vila, Carlos; Juanhuix, Judith; Imaz, Inhar; Navarro, Jorge A. R.; Maspoch, Daniel","Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal-organic frameworks.","Chemical science","2025","16","45","21600","21613","10.1039/d5sc05365j","","","0.82653","synchrotron","","0.128","0.0937","","","0.2772","0.311","","","","","","1.113","","","","has coordinates","303663","2025-11-29","18:41:58",""
"1576035","22.3625","0.0004","22.3625","0.0004","24.3563","0.0012","90","","90","","120","","10548.3","0.6","100","2","100","2","","","","","","","","4","P -6 m 2","P -6 2","187","","","","- C147 H48 O47 Y9 -","- C147 H48 O47 Y9 -","- C147 H48 O47 Y9 -","1","0.0833333","","Ortín-Rubio, Borja; Yang, Yunhui; Borrego-Marin, Emilio; Rostoll-Berenguer, Jaume; Vila, Carlos; Juanhuix, Judith; Imaz, Inhar; Navarro, Jorge A. R.; Maspoch, Daniel","Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal-organic frameworks.","Chemical science","2025","16","45","21600","21613","10.1039/d5sc05365j","","","0.82653","synchrotron","","0.127","0.1224","","","0.3014","0.3105","","","","","","1.394","","","","has coordinates","303663","2025-11-29","18:41:58",""
"1576036","11.4644","0.0001","11.4644","0.0001","37.6131","0.0007","90","","90","","90","","4943.58","0.11","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C256 H192 N16 O16 -","8","1","","Zeng, Hongkun; Li, Shiyang; Ning, Lichao; Huang, Tao; Feng, Xiaoming; Lin, Lili","Sequential oxidative dearomatization/asymmetric homologation: from simple naphthols to chiral benzocycloheptanes.","Chemical science","2025","16","47","22536","22541","10.1039/d5sc05865a","","","1.54178","CuKα","","0.0261","0.0252","","","0.0647","0.0655","","","","","","1.041","","","","has coordinates,has disorder","304091","2025-12-06","22:16:53",""
"1576037","17.3955","0.0011","17.9852","0.0012","19.2333","0.0013","68.118","0.003","83.583","0.003","74.293","0.003","5374.9","0.6","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C177 H164 Cl6 N12 O12 -","- C177 H164 Cl6 N12 O12 -","- C177 H164 Cl6 N12 O12 -","1","1","","An, Tai; Yao, Jiayao; Xiao, Zuo; Yu, Qi; Wang, Yu; Gao, Yueyue; Song, Yixiao; Huang, Zuoxin; Ding, Zheng; Zhang, Xinyue; Xie, Yuanpeng; Lv, Menglan; Zuo, Chuantian; Ding, Junqiao; Ding, Liming","Chiral tether-guided selective synthesis of <i>D</i> <sub><i>n</i></sub> -symmetric chiral conjugated nanorings.","Chemical science","2025","16","45","21404","21415","10.1039/d5sc06445g","","","0.71073","MoKα","","0.1592","0.0848","","","0.2221","0.2654","","","","","","0.928","","","","has coordinates","303671","2025-11-29","18:44:51",""
"1576038","17.728","0.002","17.892","0.002","19.632","0.002","65.98","0.005","81.665","0.006","77.601","0.006","5543.6","1.1","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C84 H72 N6 O6 -","- C84 H72 N6 O6 -","- C168 H144 N12 O12 -","2","2","","An, Tai; Yao, Jiayao; Xiao, Zuo; Yu, Qi; Wang, Yu; Gao, Yueyue; Song, Yixiao; Huang, Zuoxin; Ding, Zheng; Zhang, Xinyue; Xie, Yuanpeng; Lv, Menglan; Zuo, Chuantian; Ding, Junqiao; Ding, Liming","Chiral tether-guided selective synthesis of <i>D</i> <sub><i>n</i></sub> -symmetric chiral conjugated nanorings.","Chemical science","2025","16","45","21404","21415","10.1039/d5sc06445g","","","1.34139","GaKα","","0.183","0.0897","","","0.2333","0.286","","","","","","0.917","","","","has coordinates,has disorder","303671","2025-11-29","18:44:51",""
"1576039","34.9","0.003","34.9","0.003","14.8617","0.0015","90","","90","","120","","15677","2","170","","170","","","","","","","","","4","R 3 :H","R 3","146","","","","- C80.67 H74.33 Cl8 N6 -","- C80.6663 H74.333 Cl7.9989 N6 -","- C725.997 H668.997 Cl71.9901 N54 -","9","1","","An, Tai; Yao, Jiayao; Xiao, Zuo; Yu, Qi; Wang, Yu; Gao, Yueyue; Song, Yixiao; Huang, Zuoxin; Ding, Zheng; Zhang, Xinyue; Xie, Yuanpeng; Lv, Menglan; Zuo, Chuantian; Ding, Junqiao; Ding, Liming","Chiral tether-guided selective synthesis of <i>D</i> <sub><i>n</i></sub> -symmetric chiral conjugated nanorings.","Chemical science","2025","16","45","21404","21415","10.1039/d5sc06445g","","","1.34139","GaKα","","0.103","0.0794","","","0.2107","0.2337","","","","","","1.002","","","","has coordinates,has disorder","303671","2025-11-29","18:44:51",""
"1576040","15.7945","0.0006","5.0027","0.0002","17.3264","0.0006","90","","113.066","0.004","90","","1259.6","0.09","175","5","175","5","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H26 Cl F2 N O4 -","- C30 H26 Cl F2 N O4 -","- C60 H52 Cl2 F4 N2 O8 -","2","1","","Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes <i>via</i> migratory insertion.","Chemical science","2025","16","47","22456","22464","10.1039/d5sc06910f","","x-ray","1.54184","CuKα","","0.0458","0.039","","","0.0942","0.0984","","","","","","1.018","","","","has coordinates","304083","2025-12-06","22:14:40",""
"1576041","12.9496","0.0009","14.9981","0.001","13.2216","0.0009","90","","112.546","0.003","90","","2371.6","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[2-MeIm]2[Sr(TTA)4]","","- C40 H30 F12 N4 O8 S4 Sr -","- C40 H30 F12 N4 O8 S4 Sr -","- C80 H60 F24 N8 O16 S8 Sr2 -","2","0.5","","Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes <i>via</i> migratory insertion.","Chemical science","2025","16","47","22456","22464","10.1039/d5sc06910f","","","0.71073","MoKα","","0.076","0.0496","","","0.1297","0.1518","","","","","","1.093","","","","has coordinates","304083","2025-12-06","22:14:41",""
"1576042","16.834","0.005","16.834","0.005","8.235","0.003","90","","90","","120","","2021","1.1","302","2","302","","","","","","","","","5","P 32","P 32","145","","","","- C30 H25 N O6 S -","- C30 H25 N O6 S -","- C90 H75 N3 O18 S3 -","3","1","","Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes <i>via</i> migratory insertion.","Chemical science","2025","16","47","22456","22464","10.1039/d5sc06910f","","","0.71073","MoKα","","0.0795","0.0537","","","0.1122","0.1281","","","","","","1.029","","","","has coordinates,has disorder","304083","2025-12-06","22:14:41",""
"1576043","20.9949","0.0014","10.6889","0.0007","26.4893","0.0018","90","","90","","90","","5944.5","0.7","200","2","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H30 N2 O3 -","- C38 H30 N2 O3 -","- C304 H240 N16 O24 -","8","1","","Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes <i>via</i> migratory insertion.","Chemical science","2025","16","47","22456","22464","10.1039/d5sc06910f","","","1.54178","CuKα","","0.0437","0.0396","","","0.1066","0.1104","","","","","","1.055","","","","has coordinates","304083","2025-12-06","22:14:41",""
"1576044","17.8476","0.0005","27.8909","0.0008","23.5021","0.0007","90","","90","","90","","11699","0.6","151","","151","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C33 H27 N3 O3 -","- C33 H27 N3 O3 -","- C528 H432 N48 O48 -","16","2","","Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes <i>via</i> migratory insertion.","Chemical science","2025","16","47","22456","22464","10.1039/d5sc06910f","","","1.54178","CuKα","","0.039","0.0349","","","0.0892","0.092","","","","","","1.052","","","","has coordinates","304083","2025-12-06","22:14:41",""
"1576045","8.9312","0.0005","10.4343","0.0007","12.5929","0.0007","73.098","0.005","70.992","0.005","65.822","0.006","995.24","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N S -","- C27 H19 N S -","- C54 H38 N2 S2 -","2","1","","Heena, ?; Naithani, Sudhanshu; Sangeeta, ?; Guchhait, Biswajit; Medda, Nandita; Roy, Partha; Goswami, Tapas; Kumar, Sushil","A dual-functional AIE luminogen for sensitive nitro explosive detection and efficient photolabeling.","Analytical methods : advancing methods and applications","2025","17","43","8745","8753","10.1039/d5ay01309g","","x-ray","0.71073","MoKα","","0.0674","0.0486","","","0.129","0.1411","","","","","","1.106","","","","has coordinates","303497","2025-11-29","17:05:22",""
"1576046","8.2538","0.0006","36.109","0.003","17.2295","0.0013","90","","92.671","0.003","90","","5129.4","0.7","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 N2 Se -","- C36 H22 N2 Se -","- C288 H176 N16 Se8 -","8","2","","Wang, Mengcheng; Chen, Zhanxiang; Huang, Manli; wang, dengke; Zhong, Cheng; Lu, Zhenghong; Yang, Chuluo","Exciplex spin-flip acceleration enables high-performance narrowband electroluminescence","Chemical Science","2025","","","","","10.1039/D5SC06200D","","","1.34139","GaKα","","0.1259","0.092","","","0.1732","0.1835","","","","","","1.105","","","","has coordinates","302980","2025-10-24","07:58:39",""
"1576047","9.7232","0.0004","16.1728","0.0006","22.227","0.0008","74.475","0.002","80.044","0.003","80.493","0.003","3290.9","0.2","100","2","100.01","","","","","","","","","9","P -1","-P 1","2","","","","- C66.75 H55 Cl2 F12 N8 O2.75 P2 Rh S4 -","- C66.75 H55 Cl2 F12 N8 O2.75 P2 Rh S4 -","- C133.5 H110 Cl4 F24 N16 O5.5 P4 Rh2 S8 -","2","1","","Jiang, Katherine Gui-Min; Wei, Fangfang; Leung, Peter Kam-Keung; Wu, Siye; Lo, Kenneth Kam-Wing; Wong, Keith Man-Chung","Rhodamine-functionalised rhodium(iii) complexes: dual role as bioimaging agents and controllable reactive oxygen species photosensitisers for photocytotoxicity applications.","Chemical science","2025","16","46","22127","22135","10.1039/d5sc05257b","","x-ray","1.54178","CuKα","","0.0841","0.0656","","","0.1678","0.1856","","","","","","1.044","","","","has coordinates,has disorder","303650","2025-11-29","18:34:16",""
"1576048","15.2279","0.0007","16.2183","0.0007","16.6539","0.0007","89.246","0.002","75.434","0.002","87.945","0.002","3978.2","0.3","100","2","100.05","","","","","","","","","8","P -1","-P 1","2","","","","- C153.5 H137 Cl18 F24 N16 O2 P4 Rh2 -","- C153.5 H137 Cl18 F24.0002 N16 O2 P4 Rh2 -","- C153.5 H137 Cl18 F24.0002 N16 O2 P4 Rh2 -","1","0.5","","Jiang, Katherine Gui-Min; Wei, Fangfang; Leung, Peter Kam-Keung; Wu, Siye; Lo, Kenneth Kam-Wing; Wong, Keith Man-Chung","Rhodamine-functionalised rhodium(iii) complexes: dual role as bioimaging agents and controllable reactive oxygen species photosensitisers for photocytotoxicity applications.","Chemical science","2025","16","46","22127","22135","10.1039/d5sc05257b","","","0.71073","MoKα","","0.1203","0.1077","","","0.33","0.3541","","","","","","1.542","","","","has coordinates,has disorder","303650","2025-11-29","18:34:17",""
"1576049","12.9995","0.0005","13.8501","0.0005","16.0709","0.0006","82.958","0.002","86.247","0.003","74.635","0.002","2767.36","0.18","100","2","100.17","","","","","","","","","8","P -1","-P 1","2","","[Rh(dtbq)2Me2-bpy](PF6)","","- C109 H76 Cl10 F12 N12 P2 Rh2 S8 -","- C109 H76 Cl10 F12 N12 P2 Rh2 S8 -","- C109 H76 Cl10 F12 N12 P2 Rh2 S8 -","1","0.5","","Jiang, Katherine Gui-Min; Wei, Fangfang; Leung, Peter Kam-Keung; Wu, Siye; Lo, Kenneth Kam-Wing; Wong, Keith Man-Chung","Rhodamine-functionalised rhodium(iii) complexes: dual role as bioimaging agents and controllable reactive oxygen species photosensitisers for photocytotoxicity applications.","Chemical science","2025","16","46","22127","22135","10.1039/d5sc05257b","","","1.54178","CuKα","","0.0674","0.052","","","0.1333","0.1449","","","","","","1.063","","","","has coordinates,has disorder","303650","2025-11-29","18:34:17",""
"1576050","12.9852","0.0005","19.1585","0.0008","23.6184","0.0009","78.662","0.002","81.419","0.002","79.508","0.002","5625.4","0.4","100","2","100","","","","","","","","","8","P -1","-P 1","2","","[Rh(dpbq)2Me2-bpy](PF6)","","- C126.25 H97 Cl4.5 F12 N12 O P2 Rh2 -","- C126.25 H97 Cl4.5 F12 N12 O P2 Rh2 -","- C252.5 H194 Cl9 F24 N24 O2 P4 Rh4 -","2","1","","Jiang, Katherine Gui-Min; Wei, Fangfang; Leung, Peter Kam-Keung; Wu, Siye; Lo, Kenneth Kam-Wing; Wong, Keith Man-Chung","Rhodamine-functionalised rhodium(iii) complexes: dual role as bioimaging agents and controllable reactive oxygen species photosensitisers for photocytotoxicity applications.","Chemical science","2025","16","46","22127","22135","10.1039/d5sc05257b","","","1.54178","CuKα","","0.0767","0.0697","","","0.1706","0.1755","","","","","","1.085","","","","has coordinates,has disorder","303650","2025-11-29","18:34:17",""
"1576051","15.4576","0.0011","21.8026","0.0017","15.2057","0.0012","90","","90.087","0.003","90","","5124.6","0.7","273.15","","273.15","","","","","","","","synthesised","4","P 1 c 1","P -2yc","7","Meta-Meta macrocycle","Meta-Meta dimer","","- C H N O -","- C120 H116 N16 O16 -","- C240 H232 N32 O32 -","2","1","","Mohanty, Aisworika; Singh, Vijay Pal; Hussain, Ch Mudasar; Dey, Mandira; Ghosh, Debashree; Mukhopadhyay, Pritam; Dasgupta, Jyotishman","An order of magnitude modulation of singlet fission rates in NDI cyclophanes by tuning inter-chromophoric electronic coupling.","Chemical science","2025","16","45","21368","21378","10.1039/d5sc05995j","","","0.71073","MoKα","","0.2715","0.1396","","","0.2141","0.264","","","","","","1.075","","","","has coordinates","303662","2025-11-29","18:41:32",""
"1576052","8.7657","0.0012","12.0705","0.0014","12.3241","0.0014","97.382","0.005","95.436","0.005","103.911","0.004","1244.5","0.3","100","2","100","2","","","","","","","synthesised","4","P -1","-P 1","2","ortho-meta dimer","meta-meta macrocycle","","- C H N O -","- C2.4 H2.4 N0.32 O0.32 -","- C60 H60 N8 O8 -","25","12.5","","Mohanty, Aisworika; Singh, Vijay Pal; Hussain, Ch Mudasar; Dey, Mandira; Ghosh, Debashree; Mukhopadhyay, Pritam; Dasgupta, Jyotishman","An order of magnitude modulation of singlet fission rates in NDI cyclophanes by tuning inter-chromophoric electronic coupling.","Chemical science","2025","16","45","21368","21378","10.1039/d5sc05995j","","","0.71073","MoKα","","0.258","0.1955","","","0.5305","0.5732","","","","","","2.128","","","","has coordinates","303662","2025-11-29","18:41:33",""
"1576053","25.6765","0.0019","25.691","0.0019","22.0059","0.0017","90","","101.66","0.003","90","","14216.7","1.9","193","","193","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C108 H80 N16 O18 Zn7 -","- C108 H80 N16 O18 Zn7 -","- C432 H320 N64 O72 Zn28 -","4","1","","Zhu, Zhenliang; Xiao, Jianfei; Zhang, Min; Huang, Yaoqi; Yuan, Shaojun","Precision pore engineering <i>via</i> fit-topology assembly in a Zn-porphyrin MOF for selective C<sub>2</sub>H<sub>2</sub> capture.","Chemical science","2025","16","47","22638","22646","10.1039/d5sc07319g","","x-ray","1.34139","GaKα","","0.1267","0.1135","","","0.2987","0.3116","","","","","","1.079","","","","has coordinates,has disorder","304088","2025-12-06","22:16:11",""
"1576054","43.884","0.009","5.5853","0.0012","15.05","0.002","90","","92.925","0.012","90","","3684","1.2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C43.5 H43.5 F2 N2 O5 -","- C43.5 H43.5 F2 N2 O5 -","- C174 H174 F8 N8 O20 -","4","1","","Abd El-Gaber, Mohammed K; Herrick, Ryan M.; Sudhakar, Pranaya; Rana, Ashutosh; Roach, Brent A.; Dick, Jeffrey E.; Altman, Ryan A.","Diselenide-enabled photocatalytic hydroazolation of <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","47","22701","22710","10.1039/d5sc04074d","","","1.54178","CuKα","","0.0848","0.053","","","0.119","0.1338","","","","","","0.971","","","","has coordinates,has disorder","304077","2025-12-06","22:10:14",""
"1576055","5.4907","0.0003","11.8432","0.0008","25.3093","0.0016","90","","93.479","0.003","90","","1642.77","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F2 N2 O3 -","- C18 H18 F2 N2 O3 -","- C72 H72 F8 N8 O12 -","4","1","","Abd El-Gaber, Mohammed K; Herrick, Ryan M.; Sudhakar, Pranaya; Rana, Ashutosh; Roach, Brent A.; Dick, Jeffrey E.; Altman, Ryan A.","Diselenide-enabled photocatalytic hydroazolation of <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","47","22701","22710","10.1039/d5sc04074d","","","0.71073","MoKα","","0.0609","0.0422","","","0.1021","0.1125","","","","","","1.02","","","","has coordinates","304077","2025-12-06","22:10:17",""
"1576056","25.479","0.0012","5.0337","0.0002","13.4427","0.0007","90","","102.449","0.002","90","","1683.54","0.14","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","3-bromo-7-(1,1-difluoro-2-(3,4,5-trimethoxyphenyl)ethyl)-7H-pyrrolo[2,3-b]pyridine","","- C18 H17 Br F2 N2 O3 -","- C18 H17 Br F2 N2 O3 -","- C72 H68 Br4 F8 N8 O12 -","4","1","","Abd El-Gaber, Mohammed K; Herrick, Ryan M.; Sudhakar, Pranaya; Rana, Ashutosh; Roach, Brent A.; Dick, Jeffrey E.; Altman, Ryan A.","Diselenide-enabled photocatalytic hydroazolation of <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","47","22701","22710","10.1039/d5sc04074d","","","0.71073","MoKα","","0.0523","0.0402","","","0.0865","0.0926","","","","","","1.089","","","","has coordinates","304077","2025-12-06","22:10:17",""
"1576057","13.662","0.005","5.521","0.002","21.611","0.007","90","","97.246","0.01","90","","1617.1","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(1,1-difluoro-2-(3,4,5-trimethoxyphenyl)ethyl)-1H-benzo[d][1,2,3]triazole","","- C17 H17 F2 N3 O3 -","- C17 H17 F2 N3 O3 -","- C68 H68 F8 N12 O12 -","4","1","","Abd El-Gaber, Mohammed K; Herrick, Ryan M.; Sudhakar, Pranaya; Rana, Ashutosh; Roach, Brent A.; Dick, Jeffrey E.; Altman, Ryan A.","Diselenide-enabled photocatalytic hydroazolation of <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","47","22701","22710","10.1039/d5sc04074d","","","0.71073","MoKα","","0.0624","0.0428","","","0.1047","0.1168","","","","","","1.045","","","","has coordinates","304077","2025-12-06","22:10:17",""
"1576058","8.3337","0.0003","8.3855","0.0003","14.3817","0.0005","78.462","0.002","74.211","0.002","63.557","0.001","862.29","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 F2 N3 O5 -","- C18 H17 F2 N3 O5 -","- C36 H34 F4 N6 O10 -","2","1","","Abd El-Gaber, Mohammed K; Herrick, Ryan M.; Sudhakar, Pranaya; Rana, Ashutosh; Roach, Brent A.; Dick, Jeffrey E.; Altman, Ryan A.","Diselenide-enabled photocatalytic hydroazolation of <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","47","22701","22710","10.1039/d5sc04074d","","","0.71073","MoKα","","0.0427","0.0358","","","0.0994","0.1045","","","","","","1.034","","","","has coordinates","304077","2025-12-06","22:10:18",""
"1576059","6.7117","0.0001","12.0184","0.0001","17.045","0.0002","101.24","0.001","99.574","0.001","90.168","0.001","1328.87","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N3 O8 S2 -","- C27 H25 N3 O8 S2 -","- C54 H50 N6 O16 S4 -","2","1","","Chen, Zijing; Wang, Wenjun; Chen, Baicheng; Chen, Si-Cong; Aoken, Aimila; Wu, Fanrui; Zeng, Guihua; Luo, Tuoping","Desulfurative modification of cysteine residues in peptides and proteins <i>via</i> the installation and photoexcitation of thieno[2,3-<i>c</i>]-pyrroles.","Chemical science","2025","16","46","22091","22100","10.1039/d5sc05199a","","x-ray","1.54184","CuKα","","0.0326","0.0317","","","0.0846","0.0852","","","","","","1.04","","","","has coordinates","303649","2025-11-29","18:33:53",""
"1576060","13.8249","0.0012","12.5096","0.0012","13.1518","0.0011","90","","108.934","0.003","90","","2151.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 B N -","- C12 H18 B N -","- C96 H144 B8 N8 -","8","2","","Sanz-Liarte, Guillem; Saurí, Josep; Nolis, Pau; Cuenca, Ana Belén; Shafir, Alexandr","B-N axis as a facilitating agent for the synthesis of 3D structures: The paradigmatic case of BN-[4.4.4]propellane","Chemical Science","2025","","","","","10.1039/D5SC05132K","","","0.71073","MoKα","","0.0852","0.0594","","","0.1243","0.136","","","","","","1.039","","","","has coordinates","302986","2025-10-24","08:03:56",""
"1576061","7.4625","0.0003","7.4746","0.0003","11.9903","0.0004","85.689","0.002","86.403","0.002","70.38","0.001","627.7","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 B N -","- C14 H22 B N -","- C28 H44 B2 N2 -","2","1","","Sanz-Liarte, Guillem; Saurí, Josep; Nolis, Pau; Cuenca, Ana Belén; Shafir, Alexandr","B-N axis as a facilitating agent for the synthesis of 3D structures: The paradigmatic case of BN-[4.4.4]propellane","Chemical Science","2025","","","","","10.1039/D5SC05132K","","","0.71073","MoKα","","0.0495","0.0451","","","0.121","0.1245","","","","","","1.066","","","","has coordinates","302986","2025-10-24","08:04:07",""
"1576062","41.5602","0.001","41.5602","0.001","12.1635","0.0003","90","","90","","120","","18194.7","0.8","100","0.1","100","0.1","","","","","","","","3","R -3 :H","-R 3","148","","","","- C94 H82 N8 -","- C94 H82 N8 -","- C846 H738 N72 -","9","0.5","","Jiang, Tao; Zhou, Yuanbo; Ye, Tao; Liu, Shihao; Li, Ke; Zhao, Xiaohui; Sun, Zhongti; Aratani, Naoki; Yamada, Hiroko; Qiu, Fengxian; Pan, Jianming; Teranishi, Toshiharu; Xue, Songlin","Synthesis of wave-shaped Cu(ii) porphyrin arrays and their electrocatalytic hydrogen evolution activity.","Chemical science","2025","16","47","22498","22503","10.1039/d5sc07383a","","x-ray","1.54184","CuKα","","0.1124","0.0871","","","0.2229","0.2397","","","","","","1.036","","","","has coordinates,has disorder","304084","2025-12-06","22:14:58",""
"1576063","8.804","0.002","18.111","0.004","13.654","0.003","90","","105.923","0.006","90","","2093.6","0.8","293.77","","293.77","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Cu2 I2 N4 O4 -","- C44 H36 Cu2 I2 N4 O4 -","- C88 H72 Cu4 I4 N8 O8 -","2","0.5","","Zhu, Yongkang; Deng, Yongjing; Li, Qianxi; Ding, Ning; Wang, Yulong; Wang, Mengzhu; Zhang, Kenneth Yin; Liu, Shujuan; Zhao, Qiang","Regulating charge transfer of copper(i) coordination compounds <i>via</i> conformation engineering for highly efficient radioluminescence and 3D X-ray imaging.","Chemical science","2025","16","47","22690","22700","10.1039/d5sc06329a","","","0.71073","MoKα","","0.0447","0.0297","","","0.0526","0.0579","","","","","","1.093","","","","has coordinates","304090","2025-12-06","22:16:41",""
"1576064","25.128","0.003","9.0436","0.001","21.557","0.002","90","","101.525","0.005","90","","4800","0.9","298.99","","298.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Cu4 I4 N4 O4 -","- C44 H36 Cu4 I4 N4 O4 -","- C176 H144 Cu16 I16 N16 O16 -","4","0.5","","Zhu, Yongkang; Deng, Yongjing; Li, Qianxi; Ding, Ning; Wang, Yulong; Wang, Mengzhu; Zhang, Kenneth Yin; Liu, Shujuan; Zhao, Qiang","Regulating charge transfer of copper(i) coordination compounds <i>via</i> conformation engineering for highly efficient radioluminescence and 3D X-ray imaging.","Chemical science","2025","16","47","22690","22700","10.1039/d5sc06329a","","","0.71073","MoKα","","0.0628","0.039","","","0.0794","0.0897","","","","","","1.019","","","","has coordinates","304090","2025-12-06","22:16:42",""
"1576065","10.993","0.002","10.993","0.002","9.771","0.002","90","","90","","90","","1180.8","0.4","292.26","","292.26","","","","","","","","","6","P -4","P -4","81","","","","- C44 H36 Cu4 I4 N4 O4 -","- C44 H36 Cu4 I4 N4 O4 -","- C44 H36 Cu4 I4 N4 O4 -","1","0.25","","Zhu, Yongkang; Deng, Yongjing; Li, Qianxi; Ding, Ning; Wang, Yulong; Wang, Mengzhu; Zhang, Kenneth Yin; Liu, Shujuan; Zhao, Qiang","Regulating charge transfer of copper(i) coordination compounds <i>via</i> conformation engineering for highly efficient radioluminescence and 3D X-ray imaging.","Chemical science","2025","16","47","22690","22700","10.1039/d5sc06329a","","","0.71073","MoKα","","0.131","0.0628","","","0.0682","0.0791","","","","","","1.131","","","","has coordinates","304090","2025-12-06","22:16:42",""
"1576066","30.202","0.003","9.5466","0.0008","23.1505","0.0017","90","","103.92","0.002","90","","6478.9","1","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H100 Ge3 Si8 -","- C49 H100 Ge3 Si8 -","- C196 H400 Ge12 Si32 -","4","0.5","","Uchida, Daichi; Yamada, Hiroko; Mizuhata, Yoshiyuki","A neutral homoaromatic heavy allene as a platform for selective conversion to a germylene-coordinated digermavinylidene.","Chemical science","2025","16","47","22597","22602","10.1039/d5sc07177a","","","0.71073","MoKα","","0.0853","0.0567","","","0.1359","0.1559","","","","","","1.04","","","","has coordinates,has disorder","304081","2025-12-06","22:13:11",""
"1576067","22.649","0.004","13.124","0.002","26.722","0.004","90","","91.74","0.006","90","","7939","2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67 H118 Ge2 K2 Si8 -","- C67 H118 Ge2 K2 Si8 -","- C268 H472 Ge8 K8 Si32 -","4","1","","Uchida, Daichi; Yamada, Hiroko; Mizuhata, Yoshiyuki","A neutral homoaromatic heavy allene as a platform for selective conversion to a germylene-coordinated digermavinylidene.","Chemical science","2025","16","47","22597","22602","10.1039/d5sc07177a","","","0.71073","MoKα","","0.0655","0.0406","","","0.0849","0.0959","","","","","","1.027","","","","has coordinates","304081","2025-12-06","22:13:12",""
"1576068","12.6987","0.0005","16.2715","0.0006","19.6919","0.0007","93.615","0.001","97.189","0.001","109.037","0.001","3792.6","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H116 Ge3 N2 Si8 -","- C62 H116 Ge3 N2 Si8 -","- C124 H232 Ge6 N4 Si16 -","2","1","","Uchida, Daichi; Yamada, Hiroko; Mizuhata, Yoshiyuki","A neutral homoaromatic heavy allene as a platform for selective conversion to a germylene-coordinated digermavinylidene.","Chemical science","2025","16","47","22597","22602","10.1039/d5sc07177a","","","0.71073","MoKα","","0.0399","0.0306","","","0.0764","0.0818","","","","","","1.046","","","","has coordinates","304081","2025-12-06","22:13:12",""
"1576069","7.0199","0.0002","16.2513","0.0005","18.7458","0.0006","90","","90","","90","","2138.57","0.11","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O7 S -","- C21 H23 N3 O7 S -","- C84 H92 N12 O28 S4 -","4","1","","Seyrani, Hassan; Heidarzadeh Vazifehkhorani, Hossein; Outlaw, Victor K.","Chemoselective sulfonyl fluoride exchange (SuFEx)-induced macrocyclization of tyrosine-containing peptides in aqueous media.","Chemical science","2025","16","45","21359","21367","10.1039/d5sc06993a","","","0.71073","MoKα","","0.0411","0.0335","","","0.0827","0.0908","","","","","","1.109","","","","has coordinates","303665","2025-11-29","18:42:26",""
"1576070","20.5177","0.001","15.8556","0.0008","8.0579","0.0003","90","","90","","90","","2621.4","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H11 F O2 S -","- C16 H11 F O2 S -","- C128 H88 F8 O16 S8 -","8","1","","Wang, Siyuan; Le, Quang Truong; Shishido, Yoshiteru; Kokculer, Ismail Y.; Yamazaki, Ken; Perry, Gregory J. P.; Nightingale, Adrian Matthew; Yorimitsu, Hideki","Photoredox catalysed reductive cleavage of dibenzothiophene dioxides enabled by a temperature-controlled photoreactor","Chemical Science","2025","","","","","10.1039/D5SC05889A","","x-ray","0.71073","MoKα","","0.1224","0.1184","","","0.3662","0.3682","","","","","","1.2","","","","has coordinates","302991","2025-10-24","08:10:24",""
"1576071","14.5997","0.0002","7.9505","0.0001","18.3482","0.0002","90","","95.99","0.001","90","","2118.14","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 F O2 S -","- C12 H9 F O2 S -","- C96 H72 F8 O16 S8 -","8","2","","Wang, Siyuan; Le, Quang Truong; Shishido, Yoshiteru; Kokculer, Ismail Y.; Yamazaki, Ken; Perry, Gregory J. P.; Nightingale, Adrian Matthew; Yorimitsu, Hideki","Photoredox catalysed reductive cleavage of dibenzothiophene dioxides enabled by a temperature-controlled photoreactor","Chemical Science","2025","","","","","10.1039/D5SC05889A","","x-ray","1.54184","CuKα","","0.0406","0.0384","","","0.1127","0.1145","","","","","","1.071","","","","has coordinates","302991","2025-10-24","08:10:25",""
"1576072","17.14","0.0002","16.0326","0.0002","10.655","0.0001","90","","106.661","0.001","90","","2805.06","0.06","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 B2 F8 Fe N10 O4 -","- C24 H18 B2 F8 Fe N10 O4 -","- C96 H72 B8 F32 Fe4 N40 O16 -","4","0.5","","Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori","Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature.","Chemical science","2025","16","47","22387","22393","10.1039/d5sc04311e","","x-ray","1.54184","CuKα","","0.0281","0.0272","","","0.0703","0.0708","","","","","","1.1","","","","has coordinates","304085","2025-12-06","22:15:15",""
"1576073","16.9753","0.0002","16.4202","0.0002","10.5304","0.0001","90","","104.619","0.001","90","","2840.19","0.06","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 B2 Co F8 N10 O4 -","- C24 H18 B2 Co F8 N10 O4 -","- C96 H72 B8 Co4 F32 N40 O16 -","4","0.5","","Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori","Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature.","Chemical science","2025","16","47","22387","22393","10.1039/d5sc04311e","","x-ray","1.54184","CuKα","","0.0489","0.0479","","","0.1315","0.1326","","","","","","1.044","","","","has coordinates","304085","2025-12-06","22:15:16",""
"1576074","16.5259","0.0004","10.511","0.0003","16.4296","0.0004","90","","90","","90","","2853.88","0.13","93.15","","93.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H18 B2 F8 N10 O4 Zn -","- C24 H18 B2 F8 N10 O4 Zn -","- C96 H72 B8 F32 N40 O16 Zn4 -","4","0.5","","Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori","Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature.","Chemical science","2025","16","47","22387","22393","10.1039/d5sc04311e","","x-ray","1.54184","CuKα","","0.0401","0.0345","","","0.0867","0.0901","","","","","","1.039","","","","has coordinates","304085","2025-12-06","22:15:16",""
"1576075","16.9573","0.0002","16.5167","0.0002","10.5067","0.0001","90","","104.504","0.001","90","","2848.92","0.06","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 B2 F8 N10 O4 Zn -","- C24 H18 B2 F8 N10 O4 Zn -","- C96 H72 B8 F32 N40 O16 Zn4 -","4","0.5","","Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori","Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature.","Chemical science","2025","16","47","22387","22393","10.1039/d5sc04311e","","x-ray","1.54184","CuKα","","0.0522","0.0503","","","0.1388","0.141","","","","","","1.052","","","","has coordinates","304085","2025-12-06","22:15:16",""
"1576076","17.3355","0.0003","16.5509","0.0002","10.6777","0.0002","90","","104.984","0.002","90","","2959.46","0.09","393.15","","393.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 B2 F8 Fe N10 O4 -","- C24 H18 B2 F8 Fe N10 O4 -","- C96 H72 B8 F32 Fe4 N40 O16 -","4","0.5","","Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori","Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature.","Chemical science","2025","16","47","22387","22393","10.1039/d5sc04311e","","x-ray","1.54184","CuKα","","0.0552","0.0544","","","0.1606","0.1614","","","","","","1.084","","","","has coordinates","304085","2025-12-06","22:15:16",""
"1576077","16.44377","0.00006","10.53198","0.00005","16.45174","0.00007","90","","90","","90","","2849.2","0.02","93","2","93","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H18 B2 Co F8 N10 O4 -","- C24 H18 B2 Co F8 N10 O4 -","- C96 H72 B8 Co4 F32 N40 O16 -","4","0.5","","Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori","Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature.","Chemical science","2025","16","47","22387","22393","10.1039/d5sc04311e","","x-ray","1.54184","CuKα","","0.0388","0.0382","","","0.1009","0.1015","","","","","","1.068","","","","has coordinates","304085","2025-12-06","22:15:16",""
"1576078","7.1489","0.0002","13.4533","0.0004","8.2583","0.0002","90","","108.226","0.001","90","","754.41","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H26 B6 Os -","- C10 H25.9998 B6 Os -","- C20 H51.9996 B12 Os2 -","2","1","","Kar, Ketaki; Joshi, Gaurav; Jemmis, Eluvathingal D.; Ghosh, Sundargopal","All-Boron Analogue of Planar Benzene on an Osmium Template","Chemical Science","2025","","","","","10.1039/D5SC06992K","","","0.71073","MoKα","","0.0221","0.0215","","","0.0506","0.0512","","","","","","1.072","","","","has coordinates,has disorder","303012","2025-10-28","08:30:28",""
"1576079","8.1325","0.0003","12.8806","0.0005","14.1056","0.0004","90","","90","","90","","1477.58","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H24 B4 Os -","- C10 H24 B4 Os -","- C40 H96 B16 Os4 -","4","1","","Kar, Ketaki; Joshi, Gaurav; Jemmis, Eluvathingal D.; Ghosh, Sundargopal","All-Boron Analogue of Planar Benzene on an Osmium Template","Chemical Science","2025","","","","","10.1039/D5SC06992K","","","0.71073","MoKα","","0.0147","0.0143","","","0.0354","0.0355","","","","","","1.152","","","","has coordinates","303012","2025-10-28","08:30:29",""
"1576080","13.9545","0.0005","8.2607","0.0003","13.1269","0.0005","90","","90","","90","","1513.19","0.1","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H27 B5 Os -","- C10 H15 B5 Os -","- C40 H60 B20 Os4 -","4","1","","Kar, Ketaki; Joshi, Gaurav; Jemmis, Eluvathingal D.; Ghosh, Sundargopal","All-Boron Analogue of Planar Benzene on an Osmium Template","Chemical Science","2025","","","","","10.1039/D5SC06992K","","","0.71073","MoKα","","0.0646","0.0453","","","0.126","0.142","","","","","","1.075","","","","has coordinates,has disorder","303012","2025-10-28","08:30:29",""
"1576081","10.261","0.004","26.202","0.009","7.141","0.002","90","","90.436","0.005","90","","1919.9","1.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cu N2 O -","- C23 H21 Cu N2 O -","- C92 H84 Cu4 N8 O4 -","4","1","","Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.","Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.","Chemical science","2025","16","47","22527","22535","10.1039/d5sc07286g","","","0.71073","MoKα","","0.035","0.0277","","","0.0692","0.0725","","","","","","1.033","","","","has coordinates","304092","2025-12-06","22:17:10",""
"1576082","9.201","0.005","14.371","0.008","17.738","0.01","84.919","0.006","89.323","0.006","73.694","0.006","2242","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 Cu F6 N2 O -","- C24 H17 Cu F6 N2 O -","- C96 H68 Cu4 F24 N8 O4 -","4","2","","Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.","Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.","Chemical science","2025","16","47","22527","22535","10.1039/d5sc07286g","","","0.71073","MoKα","","0.0578","0.0398","","","0.1038","0.1151","","","","","","1.041","","","","has coordinates","304092","2025-12-06","22:17:11",""
"1576083","11.7921","0.0009","13.694","0.0011","26.008","0.002","90","","100.426","0.004","90","","4130.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H57 Cu N2 O -","- C49 H57 Cu N2 O -","- C196 H228 Cu4 N8 O4 -","4","1","","Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.","Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.","Chemical science","2025","16","47","22527","22535","10.1039/d5sc07286g","","","1.54178","CuKα","","0.0353","0.0334","","","0.0929","0.0946","","","","","","1.031","","","","has coordinates","304092","2025-12-06","22:17:11",""
"1576084","10.39","0.009","10.781","0.009","12.163","0.011","64.965","0.009","87.971","0.01","66.385","0.009","1116.2","1.7","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 Cu N2 O -","- C25 H25 Cu N2 O -","- C50 H50 Cu2 N4 O2 -","2","1","","Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.","Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.","Chemical science","2025","16","47","22527","22535","10.1039/d5sc07286g","","","0.71073","MoKα","","0.0576","0.0384","","","0.0787","0.0857","","","","","","1.022","","","","has coordinates","304092","2025-12-06","22:17:11",""
"1576085","9.466","0.003","11.606","0.003","13.062","0.004","93.187","0.003","92.645","0.003","110.455","0.002","1339.2","0.7","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Cu N2 O -","- C34 H27 Cu N2 O -","- C68 H54 Cu2 N4 O2 -","2","1","","Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.","Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.","Chemical science","2025","16","47","22527","22535","10.1039/d5sc07286g","","","0.71073","MoKα","","0.0464","0.0406","","","0.0977","0.1007","","","","","","1.082","","","","has coordinates,has disorder","304092","2025-12-06","22:17:11",""
"1576086","12.6043","0.0009","18.9057","0.0012","19.293","0.0013","90","","90","","90","","4597.4","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H29 Cu N2 O -","- C27 H29 Cu N2 O -","- C216 H232 Cu8 N16 O8 -","8","1","","Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.","Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.","Chemical science","2025","16","47","22527","22535","10.1039/d5sc07286g","","","1.54184","CuKα","","0.0309","0.0302","","","0.0828","0.0832","","","","","","1.05","","","","has coordinates","304092","2025-12-06","22:17:11",""
"1576087","7.3684","0.0007","14.5095","0.0011","17.8628","0.0014","90","","90","","90","","1909.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","0","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Wang, Yangyang; Wang, Yike; Xu, Zhe; Chen, Kexin; Liu, Ying-Guo; Chen, Xingkuan; Zhou, Hongwei; Xu, Jianfeng","Chemo- and Atroposelective Boc Protection for Asymmetric Synthesis of NH2-Free Axially Chiral Biaryl Amino Phenols","Chemical Science","2025","","","","","10.1039/D5SC06233K","","x-ray","1.54184","CuKα","","0.1127","0.0933","","","0.2227","0.2402","","","","","","1.057","","","","has coordinates","303014","2025-10-28","08:32:35",""
"1576088","7.5443","0.0001","11.8173","0.0001","24.0589","0.0003","90","","90","","90","","2144.93","0.04","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O4 S -","- C25 H23 N O4 S -","- C100 H92 N4 O16 S4 -","4","1","","Wang, Yangyang; Wang, Yike; Xu, Zhe; Chen, Kexin; Liu, Ying-Guo; Chen, Xingkuan; Zhou, Hongwei; Xu, Jianfeng","Chemo- and Atroposelective Boc Protection for Asymmetric Synthesis of NH2-Free Axially Chiral Biaryl Amino Phenols","Chemical Science","2025","","","","","10.1039/D5SC06233K","","","1.54184","CuKα","","0.0509","0.0498","","","0.1408","0.1434","","","","","","1.082","","","","has coordinates,has disorder","303014","2025-10-28","08:32:36",""
"1576089","11.6848","0.0014","18.141","0.002","22.734","0.003","84.532","0.005","82.784","0.004","77.108","0.004","4649","1","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C87 H50 Dy F27 N2 O6 S6 -","- C87 H50 Dy F26.997 N2 O6 S6 -","- C174 H100 Dy2 F53.994 N4 O12 S12 -","2","1","","Phan, Tuan-Anh; Gendron, Frédéric; Kiraev, Salauat; Galangau, Olivier; Fréroux, Yoann; Al Sabea, Hassan; Mittelheisser, Cédric; Dallon, Marie; Bouchet, Aude; Riobé, François; Métivier, Remi; Sliwa, Michel; Le Guennic, Boris; Maury, Olivier; Banyasz, Akos; Marekha, Bogdan; Norel, Lucie; Rigaut, Stéphane","From erbium(iii) to samarium(iii): generalized photomodulation of NIR to red lanthanide luminescence with a DTE ligand and its versatile role in the quenching processes.","Chemical science","2025","16","47","22504","22516","10.1039/d5sc07174g","","x-ray","0.71073","MoKα","","0.0947","0.0786","","","0.1976","0.2111","","","","","","1.06","","","","has coordinates,has disorder","304086","2025-12-06","22:15:32",""
"1576090","17.5578","0.0008","7.2616","0.0003","18.2966","0.001","90","","116.173","0.002","90","","2093.59","0.18","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetrachlorophthalonitrile triphenylene","","- C26 H12 Cl4 N2 -","- C26 H12 Cl4 N2 -","- C104 H48 Cl16 N8 -","4","1","","Zhang, Wanlong; Zhang, Yongcheng; Chen, Zhiyan; Qin, Wei","Abnormal homodirectional responses of magneto-phosphorescence and magneto-fluorescence in organic phosphorescent crystals under third-component doping.","Nanoscale","2025","17","45","26248","26256","10.1039/d5nr03566j","","","0.71073","MoKα","","0.1004","0.0739","","","0.2353","0.2778","","","","","","1.09","","","","has coordinates","303851","2025-11-29","21:33:04",""
"1576091","17.7668","0.0008","7.3556","0.0003","18.3821","0.0008","90","","116.268","0.002","90","","2154.2","0.17","299","","299","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetrachlorophthalonitrile triphenylene","","- C26 H12 Cl4 N2 -","- C26 H12 Cl4 N2 -","- C104 H48 Cl16 N8 -","4","1","","Zhang, Wanlong; Zhang, Yongcheng; Chen, Zhiyan; Qin, Wei","Abnormal homodirectional responses of magneto-phosphorescence and magneto-fluorescence in organic phosphorescent crystals under third-component doping.","Nanoscale","2025","17","45","26248","26256","10.1039/d5nr03566j","","","1.54178","CuKα","","0.0722","0.0664","","","0.2001","0.2075","","","","","","1.076","","","","has coordinates,has disorder","303851","2025-11-29","21:33:05",""
"1576092","16.3979","0.0003","23.0681","0.0005","31.533","0.0005","90","","92.99","0.002","90","","11911.7","0.4","200","0.1","200","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C205 H242 Cl3 Cu15 O35 -","- C205 H242 Cl3 Cu15 O35 -","- C410 H484 Cl6 Cu30 O70 -","2","1","","Yao, Jun-Fei; Zhao, Pei; Hu, Feng; Yang, Ya-Nan; Nan, Zi-Ang; Huang, Qiu-Qin; Li, Jing-Yu; Chen, Jian; Lei, Zhen; Wei, Qiao-Hua; Ehara, Masahiro; Wang, Quan-Ming","α-Hydroxyalkynyl-protected copper(I) acetelyenediide nanoclusters with anion-dependent photoluminescence.","Nanoscale","2025","17","43","25289","25296","10.1039/d5nr03301b","","x-ray","1.3405","GaKα","","0.1274","0.1088","","","0.2915","0.3082","","","","","","1.212","","","","has coordinates","303848","2025-11-29","21:32:07",""
"1576093","16.805","0.003","32.359","0.006","24.311","0.004","90","","108.69","0.004","90","","12523","4","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C222 H270 Cu17 F15 O30 -","- C222 H270 Cu17 F15 O30 -","- C444 H540 Cu34 F30 O60 -","2","1","","Yao, Jun-Fei; Zhao, Pei; Hu, Feng; Yang, Ya-Nan; Nan, Zi-Ang; Huang, Qiu-Qin; Li, Jing-Yu; Chen, Jian; Lei, Zhen; Wei, Qiao-Hua; Ehara, Masahiro; Wang, Quan-Ming","α-Hydroxyalkynyl-protected copper(I) acetelyenediide nanoclusters with anion-dependent photoluminescence.","Nanoscale","2025","17","43","25289","25296","10.1039/d5nr03301b","","","0.71073","MoKα","","0.1193","0.0947","","","0.2429","0.2587","","","","","","1.047","","","","has coordinates","303848","2025-11-29","21:32:08",""
"1576094","14.3281","0.0004","14.4893","0.0004","26.9716","0.0006","82.003","0.002","75.767","0.002","69.21","0.003","5065.8","0.3","153.15","","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- Al14.9 Cl0.4 H101.4 Mo11.4 O124.3 -","- Al14.9 Cl0.4 H37.4 Mo11.4 O92.3 -","- Al29.8 Cl0.8 H74.8 Mo22.8 O184.6 -","2","1","","Tateno, Atsunobu; Zhou, Wei; Gao, Ailing; Weng, Zhewei; Ogiwara, Naoki; Uchida, Sayaka","Isomeric effects of Al<sub>13</sub> Keggin clusters as catalyst support on oxidation reactions.","Nanoscale","2025","17","43","25010","25014","10.1039/d5nr03696h","","","0.71073","MoKα","","0.1014","0.0799","","","0.1957","0.2075","","","","","","1.048","","","","has coordinates,has disorder","303847","2025-11-29","21:31:38",""
"1576095","11.5612","0.0003","12.6489","0.0003","14.3413","0.0004","88.807","0.002","69.449","0.002","76.892","0.002","1908.61","0.09","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H47 Cl2 N O P V -","- C42 H47 Cl2 N O P V -","- C84 H94 Cl4 N2 O2 P2 V2 -","2","1","","Li, Biao; Ding, Yingli; Gao, Huan; Pan, Li; Li, Yuesheng","Thermally stable vanadium(v) complexes bearing bidentate phenoxy-phosphine ligands: synthesis, characterization, and catalytic properties for alkene polymerization","Polymer Chemistry","2025","16","45","4889","4898","10.1039/D5PY00730E","","x-ray","1.54184","CuKα","","0.0316","0.0312","","","0.0879","0.0882","","","","","","1.091","","","","has coordinates","303970","2025-11-29","22:18:22",""
"1576096","13.1205","0.0002","13.2561","0.0003","15.58115","0.0002","84.0364","0.0014","89.5297","0.0012","65.93","0.002","2459.21","0.08","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C44 H49 Cl2 N O P V -","- C44 H49 Cl2 N O P V -","- C88 H98 Cl4 N2 O2 P2 V2 -","2","1","","Li, Biao; Ding, Yingli; Gao, Huan; Pan, Li; Li, Yuesheng","Thermally stable vanadium(v) complexes bearing bidentate phenoxy-phosphine ligands: synthesis, characterization, and catalytic properties for alkene polymerization","Polymer Chemistry","2025","16","45","4889","4898","10.1039/D5PY00730E","","x-ray","1.54184","CuKα","","0.0365","0.0354","","","0.095","0.0958","","","","","","1.054","","","","has coordinates","303970","2025-11-29","22:18:22",""
"1576097","25.5327","0.0004","12.96804","0.00016","26.1924","0.0004","90","","111.728","0.0018","90","","8056.4","0.2","100.3","0.7","100.3","0.7","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H47 Cl2 N O P V -","- C45 H47 Cl2 N O P V -","- C360 H376 Cl16 N8 O8 P8 V8 -","8","1","","Li, Biao; Ding, Yingli; Gao, Huan; Pan, Li; Li, Yuesheng","Thermally stable vanadium(v) complexes bearing bidentate phenoxy-phosphine ligands: synthesis, characterization, and catalytic properties for alkene polymerization","Polymer Chemistry","2025","16","45","4889","4898","10.1039/D5PY00730E","","x-ray","1.54184","CuKα","","0.0529","0.0427","","","0.1149","0.1261","","","","","","1.093","","","","has coordinates","303970","2025-11-29","22:18:22",""
"1576098","5.6533","0.0005","11.5377","0.001","7.4907","0.0008","90","","99.493","0.005","90","","481.9","0.08","295","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 N2 O S -","- C3 H4 N2 O S -","- C12 H16 N8 O4 S4 -","4","1","","Chen, Xiang; Tao, Siyu; Chen, ruijia; Zhao, Zihao; Zhang, Qiang; Li, Anze; Yang, Guangxin; Liu, Wenbin; Yuan, Wang Zhang","Site-Selective Thionation and Doping Enabled Tunable Full-Color Emission in Nonconventional Luminophores","Materials Horizons","2025","","","","","10.1039/D5MH01519G","","","1.54178","CuKα","","0.0401","0.0384","","","0.1069","0.1086","","","","","","1.085","","","","has coordinates","303074","2025-10-28","14:27:58",""
"1576099","7.2223","0.0006","7.5798","0.0006","9.9313","0.0008","90","","102.849","0.002","90","","530.06","0.07","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H3 N O S2 -","- C3 H3 N O S2 -","- C12 H12 N4 O4 S8 -","4","1","","Chen, Xiang; Tao, Siyu; Chen, ruijia; Zhao, Zihao; Zhang, Qiang; Li, Anze; Yang, Guangxin; Liu, Wenbin; Yuan, Wang Zhang","Site-Selective Thionation and Doping Enabled Tunable Full-Color Emission in Nonconventional Luminophores","Materials Horizons","2025","","","","","10.1039/D5MH01519G","","","1.54178","CuKα","","0.021","0.0206","","","0.0511","0.0513","","","","","","1.084","","","","has coordinates","303074","2025-10-28","14:27:59",""
"1576100","7.3097","0.0002","9.3825","0.0003","13.1497","0.0004","90","","90","","90","","901.85","0.05","173","2","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H3 N O2 S -","- C3 H3 N O2 S -","- C24 H24 N8 O16 S8 -","8","1","","Chen, Xiang; Tao, Siyu; Chen, ruijia; Zhao, Zihao; Zhang, Qiang; Li, Anze; Yang, Guangxin; Liu, Wenbin; Yuan, Wang Zhang","Site-Selective Thionation and Doping Enabled Tunable Full-Color Emission in Nonconventional Luminophores","Materials Horizons","2025","","","","","10.1039/D5MH01519G","","","1.54178","CuKα","","0.0255","0.0248","","","0.0604","0.0606","","","","","","1.058","","","","has coordinates,has disorder","303074","2025-10-28","14:28:02",""
"1576101","14.995","0.003","15.093","0.003","19.626","0.003","78.515","0.005","89.878","0.006","85.166","0.005","4336.8","1.4","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C91 H123 Cl3 O4 Si4 -","- C90 H122 O4 Si4 -","- C180 H244 O8 Si8 -","2","1","","Nishijima, Tomohiko; Takahata, Kazuki; Goseki, Raita; Homma, Chihiro; Kuwata, Shigeki; Ishizone, Takashi","One-pot synthesis of sequence-controlled macromonomers <i>via</i> living anionic addition reaction and subsequent acyclic diene metathesis polymerization.","Chemical science","2025","16","46","21791","21796","10.1039/d5sc05910k","","","0.71075","MoKα","","0.1579","0.1202","","","0.3337","0.3741","","","","","","1.092","","","","has coordinates,has disorder","303647","2025-11-29","18:33:26",""
"1576102","18.87381","0.00018","20.98788","0.00015","21.87668","0.00018","90","","90","","90","","8665.82","0.13","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48.61 H38.44 Cu F6 N2 O1.61 P3 -","- C48.609 H38.436 Cu F6 N2 O1.609 P3 -","- C388.872 H307.488 Cu8 F48 N16 O12.872 P24 -","8","2","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","1.54184","CuKα","","0.0603","0.055","","","0.1455","0.1502","","","","","","1.031","","","","has coordinates","304079","2025-12-06","22:11:38",""
"1576103","11.4215","0.0002","14.9356","0.0003","25.5769","0.0005","90","","95.8728","0.0017","90","","4340.19","0.14","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C48.5 H38 B Cl Cu F4 N3 O P2 -","- C48.5 H38 B Cl Cu F4 N3 O P2 -","- C194 H152 B4 Cl4 Cu4 F16 N12 O4 P8 -","4","1","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","0.71073","MoKα","","0.0534","0.0397","","","0.0945","0.0995","","","","","","1.027","","","","has coordinates,has disorder","304079","2025-12-06","22:11:50",""
"1576104","9.48933","0.00012","12.40123","0.00019","19.1265","0.0003","86.5801","0.0013","78.8653","0.0012","72.8985","0.0012","2110.77","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H38 Cl2 Cu N3 O P2 -","- C49 H38 Cl2 Cu N3 O P2 -","- C98 H76 Cl4 Cu2 N6 O2 P4 -","2","1","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","0.71073","MoKα","","0.0566","0.0464","","","0.1304","0.1359","","","","","","1.038","","","","has coordinates","304079","2025-12-06","22:11:50",""
"1576105","10.6436","0.0003","19.9659","0.0007","20.2453","0.0006","103.151","0.003","90.526","0.004","90.257","0.003","4189.2","0.2","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C47.5 H34 Cl Cu F6 N2 O P2 -","- C47.5 H34 Cl Cu F6 N2 O P2 -","- C190 H136 Cl4 Cu4 F24 N8 O4 P8 -","4","4","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","1.54184","CuKα","","0.0401","0.0381","","","0.1143","0.1234","","","","","","1.039","","","","has coordinates","304079","2025-12-06","22:11:50",""
"1576106","22.6939","0.0003","12.92708","0.00016","29.8774","0.0004","90","","90.1326","0.0011","90","","8765","0.2","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C48 H35 Cl2 Cu F6 N2 O P2 -","- C48 H35 Cl2 Cu F6 N2 O P2 -","- C384 H280 Cl16 Cu8 F48 N16 O8 P16 -","8","1","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","0.71073","MoKα","","0.0529","0.0442","","","0.125","0.1305","","","","","","1.053","","","","has coordinates,has disorder","304079","2025-12-06","22:11:50",""
"1576107","10.90096","0.00012","12.11864","0.00013","18.7704","0.0002","105.703","0.0009","95.5373","0.0009","105.463","0.001","2262.38","0.05","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C52 H43 Cu F6 N3 O P3 -","- C52 H43 Cu F6 N3 O P3 -","- C104 H86 Cu2 F12 N6 O2 P6 -","2","2","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","1.54184","CuKα","","0.0618","0.0617","","","0.17","0.1702","","","","","","1.019","","","","has coordinates","304079","2025-12-06","22:11:50",""
"1576108","10.7843","0.0002","14.4377","0.0003","28.923","0.0007","90","","98.4107","0.0019","90","","4454.89","0.17","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H43 B Cu F4 N3 O P2 -","- C52 H43 B Cu F4 N3 O P2 -","- C208 H172 B4 Cu4 F16 N12 O4 P8 -","4","1","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","0.71073","MoKα","","0.0367","0.0307","","","0.0763","0.0782","","","","","","1.043","","","","has coordinates","304079","2025-12-06","22:11:50",""
"1576109","11.49247","0.00016","14.4077","0.0002","32.1564","0.0005","90","","93.1745","0.0012","90","","5316.29","0.13","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C53 H42 Cl6 Cu F3 N2 O4 P2 S -","- C52.999 H41.999 Cl5.997 Cu F3 N2 O4 P2 S -","- C211.996 H167.996 Cl23.988 Cu4 F12 N8 O16 P8 S4 -","4","1","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","0.71073","MoKα","","0.0672","0.0534","","","0.1173","0.1231","","","","","","1.054","","","","has coordinates,has disorder","304079","2025-12-06","22:11:50",""
"1576110","10.67","0.00013","12.30491","0.00015","18.117","0.0002","96.1964","0.001","103.408","0.001","103.572","0.0011","2215.8","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H37 Cu F3 N3 O2 P2 -","- C46 H37 Cu F3 N3 O2 P2 -","- C92 H74 Cu2 F6 N6 O4 P4 -","2","1","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","0.71073","MoKα","","0.048","0.0361","","","0.0916","0.0964","","","","","","1.02","","","","has coordinates,has disorder","304079","2025-12-06","22:11:50",""
"1576111","10.1704","0.001","13.3855","0.0013","14.4409","0.0014","97.369","0.005","105.709","0.005","97.202","0.005","1850.3","0.3","150.15","","150.15","","","","","","","","","4","P 1","P 1","1","","","","- C24 H32 B4 Hf -","- C24 H32 B4 Hf -","- C72 H96 B12 Hf3 -","3","3","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0231","0.0216","","","0.044","0.0446","","","","","","1.044","","","","has coordinates","304080","2025-12-06","22:12:41",""
"1576112","15.3985","0.0005","5.8044","0.0002","30.8545","0.0009","90","","101.007","0.001","90","","2707.01","0.15","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 B4 Zr -","- C28 H40 B4 Zr -","- C112 H160 B16 Zr4 -","4","1","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0494","0.0353","","","0.0753","0.0807","","","","","","1.041","","","","has coordinates","304080","2025-12-06","22:12:45",""
"1576113","5.6539","0.0004","14.0343","0.0009","17.6063","0.0009","100.023","0.002","93.296","0.002","99.554","0.002","1351.25","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 B4 Hf -","- C28 H40 B4 Hf -","- C56 H80 B8 Hf2 -","2","1","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0211","0.0193","","","0.0439","0.045","","","","","","1.031","","","","has coordinates","304080","2025-12-06","22:12:47",""
"1576114","11.4273","0.0006","14.7865","0.0006","16.3784","0.0008","111.604","0.001","91.319","0.002","106.821","0.002","2436.7","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H56 B4 Hf -","- C63 H56 B4 Hf -","- C126 H112 B8 Hf2 -","2","1","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0317","0.0263","","","0.0579","0.0602","","","","","","1.098","","","","has coordinates","304080","2025-12-06","22:12:48",""
"1576115","10.1671","0.001","13.3719","0.0013","14.4875","0.0013","97.458","0.005","105.662","0.005","97.063","0.005","1854.5","0.3","150.15","","150.15","","","","","","","","","4","P 1","P 1","1","","","","- C24 H32 B4 Zr -","- C24 H32 B4 Zr -","- C72 H96 B12 Zr3 -","3","3","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0269","0.0251","","","0.0581","0.0599","","","","","","1.035","","","","has coordinates","304080","2025-12-06","22:12:49",""
"1576116","11.4439","0.0005","14.8148","0.0006","16.3854","0.0005","111.293","0.001","91.346","0.001","107.027","0.001","2448.46","0.17","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H56 B4 Zr -","- C63 H56 B4 Zr -","- C126 H112 B8 Zr2 -","2","1","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0548","0.0395","","","0.0906","0.0985","","","","","","1.043","","","","has coordinates,has disorder","304080","2025-12-06","22:12:50",""
"1576117","27.2122","0.0013","20.4002","0.0011","25.5853","0.0016","90","","121.975","0.001","90","","12048.3","1.2","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C60 H104 B4 Hf -","- C60 H104 B4 Hf -","- C480 H832 B32 Hf8 -","8","2","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0331","0.0298","","","0.0604","0.0617","","","","","","1.031","","","","has coordinates,has disorder","304080","2025-12-06","22:12:50",""
"1576118","9.34904","0.00009","8.21004","0.00007","22.159","0.0002","90","","90","","90","","1700.84","0.03","150","2","150.01","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C10 H14 O -","- C10 H14 O -","- C80 H112 O8 -","8","2","","Damen, Johannes A.M.; Escorihuela, Jorge; Firet, Judith; Zuilhof, Han; Albada, Bauke","Temperature-Dependent Reaction Rates of Quinone-Alkene Cycloaddition Reveal that Only Entropy Determines the Rate of SPOCQ Reactions","Chemical Science","2025","","","","","10.1039/D5SC04275E","","x-ray","1.54184","CuKα","","0.0383","0.038","","","0.1009","0.1013","","","","","","1.073","","","","has coordinates","303094","2025-10-29","23:14:31",""
"1576119","5.46003","0.00007","16.26685","0.00015","16.91898","0.00017","90","","97.0485","0.001","90","","1491.34","0.03","150","2","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Damen, Johannes A.M.; Escorihuela, Jorge; Firet, Judith; Zuilhof, Han; Albada, Bauke","Temperature-Dependent Reaction Rates of Quinone-Alkene Cycloaddition Reveal that Only Entropy Determines the Rate of SPOCQ Reactions","Chemical Science","2025","","","","","10.1039/D5SC04275E","","x-ray","1.54184","CuKα","","0.0363","0.0339","","","0.0819","0.0836","","","","","","1.063","","","","has coordinates","303094","2025-10-29","23:14:31",""
"1576120","10.1234","0.0001","10.901","0.0001","51.131","0.0003","90","","90","","90","","5642.57","0.08","119.99","0.1","119.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Br N P Pd -","- C28 H37 Br N P Pd -","- C224 H296 Br8 N8 P8 Pd8 -","8","2","","Zhang, Cheng; Leforestier, Baptiste; Besnard, Céline; Mazet, Clément","Pd-catalyzed regiodivergent arylation of cyclic allylboronates.","Chemical science","2025","16","47","22656","22665","10.1039/d5sc07577g","","x-ray","1.54184","CuKα","","0.0416","0.0415","","","0.1099","0.11","","","","","","1.102","","","","has coordinates","304087","2025-12-06","22:15:56",""
"1576121","19.2654","0.0001","15.4089","0.0001","18.5647","0.0001","90","","99.003","0.001","90","","5443.2","0.06","120","0.11","120.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H80 Br2 N2 O3 P2 Pd2 -","- C50 H80 Br2 N2 O3 P2 Pd2 -","- C200 H320 Br8 N8 O12 P8 Pd8 -","4","1","","Zhang, Cheng; Leforestier, Baptiste; Besnard, Céline; Mazet, Clément","Pd-catalyzed regiodivergent arylation of cyclic allylboronates.","Chemical science","2025","16","47","22656","22665","10.1039/d5sc07577g","","","1.54184","CuKα","","0.0363","0.0353","","","0.1022","0.1031","","","","","","1.079","","","","has coordinates","304087","2025-12-06","22:15:57",""
"1576122","9.1635","0.0006","15.4314","0.0011","18.7645","0.0013","90","","99.482","0.006","90","","2617.2","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Fe O2 P4 -","- C22 H42 Fe O2 P4 -","- C88 H168 Fe4 O8 P16 -","4","1","","Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.","Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.","Chemical science","2025","16","47","22394","22406","10.1039/d5sc07490h","","x-ray","1.54184","CuKα","","0.0822","0.0762","","","0.1989","0.2024","","","","","","1.145","","","","has coordinates","304082","2025-12-06","22:14:03",""
"1576123","14.5261","0.0004","8.9654","0.0003","17.424","0.0005","90","","90.007","0.002","90","","2269.17","0.12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H38 Fe O2 P4 -","- C16 H38 Fe O2 P4 -","- C64 H152 Fe4 O8 P16 -","4","1","","Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.","Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.","Chemical science","2025","16","47","22394","22406","10.1039/d5sc07490h","","","0.71073","MoKα","","0.0384","0.0359","","","0.0949","0.0974","","","","","","1.093","","","","has coordinates,has disorder","304082","2025-12-06","22:14:04",""
"1576124","11.0746","0.0009","20.0081","0.0017","22.2287","0.0019","88.129","0.003","86.55","0.003","87.443","0.003","4909.4","0.7","100.1","","100.1","","","","","","","","","4","P -1","-P 1","2","","","","- C116.5 H126 Fe2 P8 -","- C116.5 H126 Fe2 P8 -","- C233 H252 Fe4 P16 -","2","1","","Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.","Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.","Chemical science","2025","16","47","22394","22406","10.1039/d5sc07490h","","","0.71073","MoKα","","0.0358","0.03","","","0.0783","0.082","","","","","","1.033","","","","has coordinates,has disorder","304082","2025-12-06","22:14:04",""
"1576125","16.3811","0.0004","13.8289","0.0003","19.7524","0.0005","90","","90.48","0.002","90","","4474.41","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H80 Fe2 P10 -","- C30 H80 Fe2 P10 -","- C120 H320 Fe8 P40 -","4","1","","Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.","Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.","Chemical science","2025","16","47","22394","22406","10.1039/d5sc07490h","","x-ray","0.71073","MoKα","","0.1019","0.0816","","","0.199","0.2123","","","","","","1.074","","","","has coordinates,has disorder","304082","2025-12-06","22:14:04",""
"1576126","9.1847","0.0001","20.602","0.0003","14.6513","0.0003","90","","92.907","0.002","90","","2768.8","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H46 Fe O4 P4 -","- C21 H46 Fe O4 P4 -","- C84 H184 Fe4 O16 P16 -","4","1","","Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.","Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.","Chemical science","2025","16","47","22394","22406","10.1039/d5sc07490h","","x-ray","0.71073","MoKα","","0.0664","0.0467","","","0.0975","0.1032","","","","","","1.141","","","","has coordinates,has disorder","304082","2025-12-06","22:14:04",""
"1576127","16.86988","0.00018","15.39782","0.00016","17.24096","0.00019","90","","90","","90","","4478.5","0.08","120","0.1","120","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H40 Fe O2 P4 -","- C17 H40 Fe O2 P4 -","- C136 H320 Fe8 O16 P32 -","8","1","","Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.","Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.","Chemical science","2025","16","47","22394","22406","10.1039/d5sc07490h","","x-ray","1.54184","CuKα","","0.0331","0.028","","","0.0713","0.0749","","","","","","1.0802","","","","has coordinates","304082","2025-12-06","22:14:04",""
"1576128","33.2347","0.0003","33.2347","0.0003","17.02607","0.00019","90","","90","","120","","16286.5","0.3","100","0.1","100","0.1","","","","","","","","5","R 3 :H","R 3","146","","","","- C207 H222 Cu20 P3 S19 -","- C207 H222 Cu19.9999 P3 S19 -","- C621 H666 Cu59.9997 P9 S57 -","3","0.333333","","Ge, Xin; Chen, Ruihang; Deng, Hongwen; Fang, Lei; Pan, Kunyi; Shan, Bochen; Gu, Bangde; Sun, Xin; Zheng, Yun; Teo, Boon K.; Sun, Cunfa","Surface defects in atom-precise copper nanoclusters and their different catalytic efficiencies.","Nanoscale","2025","17","44","25490","25494","10.1039/d5nr03643g","","x-ray","1.54184","CuKα","","0.1099","0.1022","","","0.2606","0.2646","","","","","","1.048","","","","has coordinates,has disorder","303845","2025-11-29","21:30:24",""
"1576129","16.305","0.0003","9.1766","0.0002","8.613","0.0002","90","","97.123","0.002","90","","1278.77","0.05","100.03","0.1","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Br2 I4 N2 Pb -","- C16 H22 Br2 I4 N2 Pb -","- C32 H44 Br4 I8 N4 Pb2 -","2","0.5","","Gao, Feifei; Li, Xiang; Zhang, Ying; Qin, Yan; Song, Hai-Peng; Wu, Min; Zhang, Shuqi; Wang, Xu; Li, Wei; Wu, Xiang; Xu, Hui","Pressure-driven interconversion between Ruddlesden-Popper and Dion-Jacobson phases in two-dimensional hybrid perovskites <i>via</i> supramolecular interactions.","Materials horizons","2025","","","","","10.1039/d5mh01588j","","","0.71073","MoKα","","0.0191","0.0185","","","0.0404","0.0406","","","","","","1.196","","","","has coordinates","303106","2025-10-30","03:12:56",""
"1576130","5.83359","0.00004","11.4194","0.00009","18.4894","0.00014","90","","93.5921","0.0007","90","","1229.27","0.016","173.01","0.1","173.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 F12 N4 O2 P2 -","- C18 H24 F12 N4 O2 P2 -","- C36 H48 F24 N8 O4 P4 -","2","0.5","","Reusser, Esaïe; Albrecht, Martin","Tunable bis(pyridinium amidate) ligands efficiently promote palladium-catalyzed ethylene polymerization","Catalysis Science & Technology","2025","","","","","10.1039/D5CY01102G","","x-ray","1.54184","CuKα","","0.0578","0.0563","","","0.1492","0.1501","","","","","","1.068","","","","has coordinates,has disorder","303108","2025-10-30","22:42:52",""
"1576131","7.13858","0.00007","21.77525","0.00016","7.76094","0.00008","90","","108.082","0.0011","90","","1146.81","0.02","173.1","0.5","173.1","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 F12 N4 O2 P2 -","- C16 H20 F12 N4 O2 P2 -","- C32 H40 F24 N8 O4 P4 -","2","0.5","","Reusser, Esaïe; Albrecht, Martin","Tunable bis(pyridinium amidate) ligands efficiently promote palladium-catalyzed ethylene polymerization","Catalysis Science & Technology","2025","","","","","10.1039/D5CY01102G","","x-ray","1.54184","CuKα","","0.0369","0.0364","","","0.0958","0.0962","","","","","","1.078","","","","has coordinates,has disorder","303108","2025-10-30","22:42:56",""
"1576132","7.29001","0.00008","24.7363","0.0002","7.53443","0.00008","90","","113.324","0.0013","90","","1247.64","0.02","173.01","0.1","173.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","","Reusser, Esaïe; Albrecht, Martin","Tunable bis(pyridinium amidate) ligands efficiently promote palladium-catalyzed ethylene polymerization","Catalysis Science & Technology","2025","","","","","10.1039/D5CY01102G","","x-ray","1.54184","CuKα","","0.0329","0.032","","","0.0845","0.0851","","","","","","1.052","","","","has coordinates","303108","2025-10-30","22:42:57",""
"1576133","21.4383","0.0002","22.0849","0.0003","13.37677","0.00012","90","","102.768","0.001","90","","6176.79","0.12","173","0.1","173","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 F15 K N10 O4 P2.5 Pd2 -","- C38 H48 F15 K N10 O4 P2.5 Pd2 -","- C152 H192 F60 K4 N40 O16 P10 Pd8 -","4","1","","Reusser, Esaïe; Albrecht, Martin","Tunable bis(pyridinium amidate) ligands efficiently promote palladium-catalyzed ethylene polymerization","Catalysis Science & Technology","2025","","","","","10.1039/D5CY01102G","","x-ray","1.54184","CuKα","","0.0662","0.0604","","","0.1887","0.1972","","","","","","1.068","","","","has coordinates,has disorder","303108","2025-10-30","22:42:58",""
"1576134","13.4727","0.0004","13.4727","0.0004","15.2171","0.0004","90","","90","","120","","2392.06","0.12","100","0.1","100","0.1","","","","","","","","7","R -3 :H","-R 3","148","","CCD","","- C12 H36 Al Cl6 O6 S6 Sb -","- C12 H36 Al Cl6 O6 S6 Sb -","- C36 H108 Al3 Cl18 O18 S18 Sb3 -","3","0.166667","","Li, Hao; Wang, Zhaoyu; Wu, Junhong; Zhang, Tianyong; Long, Guankui; Jiang, Shuang","Ultrafast preparation of amine-free 0D metal halides with near-unity emission for X-ray scintillators.","Nanoscale","2025","17","47","27474","27481","10.1039/d5nr03995a","","x-ray","1.54184","CuKα","","0.1164","0.1119","","","0.2727","0.277","","","","","","1.287","","","","has coordinates","304114","2025-12-07","06:28:27",""
"1576135","5.9577","0.0013","5.9577","0.0013","5.9577","0.0013","90","","90","","90","","211.46","0.08","295","","295","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C Br3 N2 Pb0.84 Sn0.16 -","- C Br3 N2.0004 Pb0.84 Sn0.1599 -","- C Br3 N2.0004 Pb0.84 Sn0.1599 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","","0.56083","AgKα","","0.0267","0.0263","","","0.075","0.0751","","","","","","1.336","","","","has coordinates,has disorder","303122","2025-10-31","23:13:41",""
"1576136","5.959","0.002","5.959","0.002","5.959","0.002","90","","90","","90","","211.6","0.12","295","","295","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C Br3 N2 Pb0.21 Sn0.79 -","- C Br3 N2.0004 Pb0.21 Sn0.79 -","- C Br3 N2.0004 Pb0.21 Sn0.79 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","","0.56083","AgKα","","0.0479","0.0463","","","0.122","0.1255","","","","","","1.306","","","","has coordinates","303122","2025-10-31","23:13:43",""
"1576137","6.0213","0.0007","6.0213","0.0007","6.0213","0.0007","90","","90","","90","","218.31","0.04","296.52","0.1","296.52","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.232 H6.159 Br3 N2 Pb0.22 Sn0.664 -","- C0.7682 Br3 N1.521 Pb0.2204 Sn0.6637 -","- C0.7682 Br3 N1.521 Pb0.2204 Sn0.6637 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","x-ray","0.71073","MoKα","","0.0633","0.0402","","","0.1058","0.1112","","","","1.91","1.91","1.58","","","","has coordinates","303122","2025-10-31","23:13:43",""
"1576138","6.0226","0.0007","6.0226","0.0007","6.0226","0.0007","90","","90","","90","","218.45","0.04","296.05","0.18","296.05","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C0.888 H0 Br3 N1.759 Sn0.944 -","- C0.8882 Br3 N1.7586 Sn0.9441 -","- C0.8882 Br3 N1.7586 Sn0.9441 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","x-ray","0.71073","MoKα","","0.0881","0.0586","","","0.1835","0.1888","","","","3.59","3.59","2.65","","","","has coordinates","303122","2025-10-31","23:13:43",""
"1576139","6.0075","0.0007","6.0075","0.0007","6.0075","0.0007","90","","90","","90","","216.81","0.04","296.45","0.1","296.45","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.121 H5.602 Br3 N2 Pb0.418 Sn0.522 -","- C0.8795 Br3 N1.7412 Pb0.4175 Sn0.5222 -","- C0.8795 Br3 N1.7412 Pb0.4175 Sn0.5222 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","x-ray","0.71073","MoKα","","0.0467","0.0327","","","0.0795","0.0834","","","","1.5","1.5","1.35","","","","has coordinates","303122","2025-10-31","23:13:43",""
"1576140","6.0315","0.001","6.0315","0.001","6.0315","0.001","90","","90","","90","","219.42","0.06","296.25","0.1","296.25","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.356 H6.78 Br3 N2 Pb0.422 Sn0.4 -","- C0.6442 Br3 N1.275 Pb0.4225 Sn0.3995 -","- C0.6442 Br3 N1.275 Pb0.4225 Sn0.3995 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","x-ray","0.71073","MoKα","","0.0983","0.0481","","","0.1186","0.127","","","","2.14","2.14","1.58","","","","has coordinates","303122","2025-10-31","23:13:43",""
"1576141","5.9617","0.0018","5.9617","0.0018","5.9617","0.0018","90","","90","","90","","211.89","0.11","295","","295","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C Br3 N2 Pb0.5 Sn0.5 -","- C Br3 N2.0004 Pb0.5002 Sn0.5002 -","- C Br3 N2.0004 Pb0.5002 Sn0.5002 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","","0.56083","AgKα","","0.0303","0.0303","","","0.0829","0.0829","","","","","","1.219","","","","has coordinates,has disorder","303122","2025-10-31","23:13:43",""
"1576142","6.0133","0.0004","6.0133","0.0004","6.0133","0.0004","90","","90","","90","","217.44","0.03","295","0.11","295","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.245 H6.225 Br3 N2 Pb0.693 Sn0.185 -","- C0.755 Br3 N1.4952 Pb0.6927 Sn0.1848 -","- C0.755 Br3 N1.4952 Pb0.6927 Sn0.1848 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","x-ray","0.71073","MoKα","","0.0464","0.0355","","","0.0919","0.0952","","","","1.67","1.67","1.54","","","","has coordinates","303122","2025-10-31","23:13:43",""
"1576143","6.0566","0.0006","6.0566","0.0006","6.0566","0.0006","90","","90","","90","","222.17","0.04","296.55","0.1","296.55","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.45 H7.254 Br3 N2 Pb0.607 Sn0.168 -","- C0.5491 Br3 N1.0896 Pb0.6067 Sn0.1677 -","- C0.5491 Br3 N1.0896 Pb0.6067 Sn0.1677 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","x-ray","0.71073","MoKα","","0.0445","0.0426","","","0.1301","0.1307","","","","2.66","2.66","2.63","","","","has coordinates","303122","2025-10-31","23:13:43",""
"1576144","6.0203","0.0006","6.0203","0.0006","6.0203","0.0006","90","","90","","90","","218.2","0.04","296.28","0.1","296.28","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.11 H5.552 Br3 N2 Pb0.753 Sn0.187 -","- C0.8894 Br3 N1.7616 Pb0.753 Sn0.1868 -","- C0.8894 Br3 N1.7616 Pb0.753 Sn0.1868 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","x-ray","0.71073","MoKα","","0.036","0.0326","","","0.0762","0.0774","","","","1.41","1.41","1.37","","","","has coordinates","303122","2025-10-31","23:13:43",""
"1576145","6.0379","0.0007","6.0379","0.0007","6.0379","0.0007","90","","90","","90","","220.12","0.04","296.49","0.1","296.49","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.35 H6.75 Br3 N2 Pb0.648 Sn0.177 -","- C0.6504 Br3 N1.2876 Pb0.648 Sn0.1769 -","- C0.6504 Br3 N1.2876 Pb0.648 Sn0.1769 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","x-ray","0.71073","MoKα","","0.0596","0.0413","","","0.1065","0.1103","","","","2","2","1.71","","","","has coordinates","303122","2025-10-31","23:13:43",""
"1576146","6.0324","0.0007","6.0324","0.0007","6.0324","0.0007","90","","90","","90","","219.52","0.04","296.47","0.1","296.47","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C1.198 H5.979 Br3 N2 Sn0.902 -","- C0.8064 Br3 N1.5936 Sn0.9024 -","- C0.8064 Br3 N1.5936 Sn0.9024 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","x-ray","0.71073","MoKα","","0.1002","0.0501","","","0.1495","0.1589","","","","2.89","2.89","2","","","","has coordinates","303122","2025-10-31","23:13:43",""
"1576147","6.0349","0.0014","6.0349","0.0014","6.0349","0.0014","90","","90","","90","","219.79","0.09","296.1","0.3","296.1","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C1.275 H6.378 Br3 N2 Sn0.862 -","- C0.7243 Br3 N1.434 Sn0.8621 -","- C0.7243 Br3 N1.434 Sn0.8621 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","x-ray","0.71073","MoKα","","0.048","0.0481","","","0.1411","0.1411","","","","2.87","2.87","2.85","","","","has coordinates","303122","2025-10-31","23:13:43",""
"1576148","6.0371","0.001","6.0371","0.001","6.0371","0.001","90","","90","","90","","220.03","0.06","296.32","0.1","296.32","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C1.332 H6.65 Br3 N2 Sn0.835 -","- C0.672 Br3 N1.3248 Sn0.8352 -","- C0.672 Br3 N1.3248 Sn0.8352 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","x-ray","0.71073","MoKα","","0.06","0.0576","","","0.154","0.1549","","","","3.13","3.13","2.97","","","","has coordinates","303122","2025-10-31","23:13:43",""
"1576149","6.0413","0.0003","6.0413","0.0003","6.0413","0.0003","90","","90","","90","","220.491","0.019","296.52","0.12","296.52","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.38 H6.53 Br3 N2 Pb0.422 Sn0.425 -","- C0.768 Br3 N1.5312 Pb0.4218 Sn0.4252 -","- C0.768 Br3 N1.5312 Pb0.4218 Sn0.4252 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","x-ray","0.71073","MoKα","","0.0589","0.0418","","","0.0992","0.103","","","","1.88","1.88","1.61","","","","has coordinates","303122","2025-10-31","23:13:43",""
"1576150","5.997","0.0008","5.997","0.0008","5.997","0.0008","90","","90","","90","","215.68","0.05","296.4","0.1","296.4","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.093 H5.5 Br3 N2 Pb0.237 Sn0.716 -","- C0.9072 Br3 N1.7952 Pb0.2369 Sn0.7164 -","- C0.9072 Br3 N1.7952 Pb0.2369 Sn0.7164 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","x-ray","0.71073","MoKα","","0.0508","0.0508","","","0.1241","0.1241","","","","2.37","2.37","2.37","","","","has coordinates","303122","2025-10-31","23:13:44",""
"1576151","6.0644","0.0007","6.0644","0.0007","6.0644","0.0007","90","","90","","90","","223.03","0.04","296.47","0.1","296.47","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.341 H6.684 Br3 N2 Pb0.22 Sn0.611 -","- C0.6667 Br3 N1.32 Pb0.2202 Sn0.6114 -","- C0.6667 Br3 N1.32 Pb0.2202 Sn0.6114 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","x-ray","0.71073","MoKα","","0.0685","0.0679","","","0.1628","0.1629","","","","3.15","3.15","3.12","","","","has coordinates","303122","2025-10-31","23:13:44",""
"1576152","6.0411","0.0005","6.0411","0.0005","6.0411","0.0005","90","","90","","90","","220.47","0.03","296.51","0.1","296.51","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.275 H6.378 Br3 N2 Pb0.225 Sn0.638 -","- C0.7245 Br3 N1.4346 Pb0.2246 Sn0.6376 -","- C0.7245 Br3 N1.4346 Pb0.2246 Sn0.6376 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","x-ray","0.71073","MoKα","","0.0771","0.045","","","0.1099","0.1187","","","","2","2","1.64","","","","has coordinates","303122","2025-10-31","23:13:44",""
"1576153","6.0236","0.0007","6.0236","0.0007","6.0236","0.0007","90","","90","","90","","218.56","0.04","296.52","0.1","296.52","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.226 H5.966 Br3 N2 Pb0.429 Sn0.474 -","- C0.84 Br3 N1.776 Pb0.4292 Sn0.4742 -","- C0.84 Br3 N1.776 Pb0.4292 Sn0.4742 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak; Kanatzidis, Mercouri G.","Tuning Optical Properties and Local Lone–Pair Off-Centering in ""Hollow"" FA1-x{en}xPbη-ySnyBr3 Perovskites","Chemical Science","2025","","","","","10.1039/D5SC01841B","","x-ray","0.71073","MoKα","","0.056","0.0353","","","0.095","0.1","","","","1.71","1.71","1.47","","","","has coordinates","303122","2025-10-31","23:13:44",""
"1576154","48.656","0.001","15.8779","0.0003","48.7057","0.0009","90","","93.165","0.002","90","","37570.4","1.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[PCP{N(Dipp)CH2}2]3*2hex","","- C93 H142 N6 P6 -","- C81 H114 N6 P6 -","- C1296 H1824 N96 P96 -","16","2","","Meier, David C.; García Romero, Álvaro; Gónzalez-Pinardo, Daniel; Rees, Nicholas; Lovstedt, Alex; Fernandez, Israel; Goicoechea, Jose M.","Exceptionally large “through-space” nuclear spin coupling in a 2,4,6-tri(phosphanyl)-1,3,5-triphosphabenzene","Chemical Science","2025","","","","","10.1039/D5SC07729J","","","1.54178","CuKα","","0.0805","0.0553","","","0.1314","0.1464","","","","","","1.02","","","","has coordinates","303158","2025-11-04","23:38:17",""
"1576155","13.5678","0.0006","13.7534","0.0007","15.5834","0.0007","79.661","0.002","86.029","0.002","65.26","0.002","2598.1","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","[PCP{N(Dipp)CH2}2]2","","- C54 H76 N4 P4 -","- C54 H76 N4 P4 -","- C108 H152 N8 P8 -","2","1","","Meier, David C.; García Romero, Álvaro; Gónzalez-Pinardo, Daniel; Rees, Nicholas; Lovstedt, Alex; Fernandez, Israel; Goicoechea, Jose M.","Exceptionally large “through-space” nuclear spin coupling in a 2,4,6-tri(phosphanyl)-1,3,5-triphosphabenzene","Chemical Science","2025","","","","","10.1039/D5SC07729J","","","0.71073","MoKα","","0.0597","0.0518","","","0.126","0.1364","","","","","","1.104","","","","has coordinates","303158","2025-11-04","23:38:20",""
"1576156","12.8201","0.0005","21.8399","0.0008","30.291","0.001","90","","92.626","0.002","90","","8472.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[PCP{N(Dipp)CH2}2]3*hex","","- C87 H128 N6 P6 -","- C87 H128 N6 P6 -","- C348 H512 N24 P24 -","4","1","","Meier, David C.; García Romero, Álvaro; Gónzalez-Pinardo, Daniel; Rees, Nicholas; Lovstedt, Alex; Fernandez, Israel; Goicoechea, Jose M.","Exceptionally large “through-space” nuclear spin coupling in a 2,4,6-tri(phosphanyl)-1,3,5-triphosphabenzene","Chemical Science","2025","","","","","10.1039/D5SC07729J","","","1.54178","CuKα","","0.0893","0.0763","","","0.2004","0.2102","","","","","","1.094","","","","has coordinates,has disorder","303158","2025-11-04","23:38:20",""
"1576157","16.5538","0.0014","8.328","0.0006","36.149","0.003","90","","90","","90","","4983.5","0.7","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H27 Cl3 Ir N3 O -","- C24 H27 Cl3 Ir N3 O -","- C192 H216 Cl24 Ir8 N24 O8 -","8","2","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4","Chemical Science","2025","","","","","10.1039/D5SC06683B","","","0.71073","MoKα","","0.0628","0.0467","","","0.1096","0.1162","","","","","","1.091","","","","has coordinates","303159","2025-11-04","23:41:18",""
"1576158","8.5814","0.0008","11.8073","0.0012","21.467","0.002","90","","90","","90","","2175.1","0.4","170","","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","OIPCoCl2","","","- C21 H25 Cl2 Co N3 O -","- C21 H25 Cl2 Co N3 O -","- C84 H100 Cl8 Co4 N12 O4 -","4","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4","Chemical Science","2025","","","","","10.1039/D5SC06683B","","","1.34139","GaKα","","0.062","0.0424","","","0.0886","0.0953","","","","","","0.977","","","","has coordinates","303159","2025-11-04","23:41:24",""
"1576159","10.7384","0.0005","12.7561","0.0005","18.1854","0.0008","90","","90","","90","","2491.04","0.19","170","","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Cl Co N3 S -","- C25 H33 Cl Co N3 S -","- C100 H132 Cl4 Co4 N12 S4 -","4","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4","Chemical Science","2025","","","","","10.1039/D5SC06683B","","","1.34139","GaKα","","0.0315","0.0282","","","0.0615","0.0623","","","","","","0.999","","","","has coordinates","303159","2025-11-04","23:41:25",""
"1576160","15.7078","0.0008","9.7905","0.0005","18.7603","0.001","90","","114.343","0.003","90","","2628.6","0.2","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H33 Cl2 Co N3 S -","- C25 H33 Cl2 Co N3 S -","- C100 H132 Cl8 Co4 N12 S4 -","4","2","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4","Chemical Science","2025","","","","","10.1039/D5SC06683B","","","1.34139","GaKα","","0.0973","0.0619","","","0.1575","0.1747","","","","","","1.078","","","","has coordinates,has disorder","303159","2025-11-04","23:41:25",""
"1576161","14.2795","0.0009","10.5999","0.0007","21.1288","0.0013","90","","93.703","0.003","90","","3191.4","0.4","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H36 Cl5 Co N3 O -","- C30 H36 Cl5 Co N3 O -","- C120 H144 Cl20 Co4 N12 O4 -","4","2","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4","Chemical Science","2025","","","","","10.1039/D5SC06683B","","","1.34139","GaKα","","0.0736","0.0562","","","0.1502","0.1592","","","","","","1.073","","","","has coordinates","303159","2025-11-04","23:41:26",""
"1576162","11.1019","0.0007","8.0219","0.0005","12.0462","0.0008","90","","103.955","0.002","90","","1041.15","0.12","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 Co N3 O -","- C22 H28 Co N3 O -","- C44 H56 Co2 N6 O2 -","2","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4","Chemical Science","2025","","","","","10.1039/D5SC06683B","","","1.34139","GaKα","","0.0562","0.0481","","","0.1052","0.1082","","","","","","1.058","","","","has coordinates","303159","2025-11-04","23:41:27",""
"1576163","10.8009","0.0008","11.5483","0.0009","47.229","0.004","90","","90","","90","","5891","0.8","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 Co N4 -","- C32 H41 Co N4 -","- C256 H328 Co8 N32 -","8","2","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4","Chemical Science","2025","","","","","10.1039/D5SC06683B","","","1.34139","GaKα","","0.0745","0.0476","","","0.1102","0.1209","","","","","","0.969","","","","has coordinates","303159","2025-11-04","23:41:27",""
"1576164","9.2773","0.0003","14.4865","0.0005","20.6304","0.0007","90","","90","","90","","2772.64","0.16","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 Co N3 O -","- C30 H38 Co N3 O -","- C120 H152 Co4 N12 O4 -","4","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4","Chemical Science","2025","","","","","10.1039/D5SC06683B","","","1.34139","GaKα","","0.0374","0.0345","","","0.0874","0.0888","","","","","","1.054","","","","has coordinates,has disorder","303159","2025-11-04","23:41:27",""
"1576165","12.19","0.0009","12.9109","0.001","16.9559","0.0012","95.359","0.004","91.044","0.003","92.146","0.003","2654.4","0.3","170","","170","","","","","","","","","6","P 1","P 1","1","","","","- C29 H35 Cl Co N3 O -","- C29 H35 Cl Co N3 O -","- C116 H140 Cl4 Co4 N12 O4 -","4","4","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4","Chemical Science","2025","","","","","10.1039/D5SC06683B","","","1.34139","GaKα","","0.0396","0.0354","","","0.089","0.0912","","","","","","1.079","","","","has coordinates","303159","2025-11-04","23:41:28",""
"1576166","15.7505","0.0011","18.8119","0.0013","20.1927","0.0015","90","","90","","90","","5983","0.7","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 Cl2 Co N4 -","- C31 H38 Cl2 Co N4 -","- C248 H304 Cl16 Co8 N32 -","8","2","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4","Chemical Science","2025","","","","","10.1039/D5SC06683B","","","1.34139","GaKα","","0.1057","0.0652","","","0.159","0.1834","","","","","","1.035","","","","has coordinates","303159","2025-11-04","23:41:28",""
"1576167","8.0536","0.0002","5.2646","0.0001","16.5289","0.0003","90","","94.986","0.002","90","","698.16","0.03","113","2","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H15 N O3 S -","- C15 H15 N O3 S -","- C30 H30 N2 O6 S2 -","2","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4","Chemical Science","2025","","","","","10.1039/D5SC06683B","","x-ray","0.71073","MoKα","","0.0377","0.0367","","","0.0924","0.0935","","","","","","1.036","","","","has coordinates","303159","2025-11-04","23:41:28",""
"1576168","13.5345","0.0007","10.737","0.0005","17.4919","0.0009","90","","100.729","0.002","90","","2497.5","0.2","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H70 Cl4 Co2 N6 O4 -","- C38 H54 Cl4 Co2 N6 O2 -","- C76 H108 Cl8 Co4 N12 O4 -","2","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4","Chemical Science","2025","","","","","10.1039/D5SC06683B","","","1.34138","GaKα","","0.0487","0.0363","","","0.0911","0.0958","","","","","","1.079","","","","has coordinates","303159","2025-11-04","23:41:28",""
"1576169","17.3643","0.0002","21.3942","0.0002","15.459","0.0002","90","","93.77","0.001","90","","5730.52","0.11","100","0.1","100","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 Cl3 F6 Fe2 N2 O14 S2 Si4 -","- C39 H57 Cl3 F6 Fe2 N2 O14 S2 Si4 -","- C156 H228 Cl12 F24 Fe8 N8 O56 S8 Si16 -","4","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4","Chemical Science","2025","","","","","10.1039/D5SC06683B","","x-ray","1.54184","CuKα","","0.0519","0.0443","","","0.1179","0.123","","","","","","1.047","","","","has coordinates,has disorder","303159","2025-11-04","23:41:29",""
"1576170","9.3878","0.0004","11.3926","0.0005","12.0509","0.0005","90","","102.847","0.002","90","","1256.6","0.09","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H36 Co N3 O -","- C26 H36 Co N3 O -","- C52 H72 Co2 N6 O2 -","2","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4","Chemical Science","2025","","","","","10.1039/D5SC06683B","","","1.34139","GaKα","","0.0468","0.0437","","","0.0857","0.0868","","","","","","1.007","","","","has coordinates","303159","2025-11-04","23:41:29",""
"1576171","24.2715","0.001","6.0591","0.0003","13.7733","0.0006","90","","108.095","0.002","90","","1925.37","0.15","170","","170","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H30 Co N3 O -","- C20 H30 Co N3 O -","- C80 H120 Co4 N12 O4 -","4","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4","Chemical Science","2025","","","","","10.1039/D5SC06683B","","","1.34139","GaKα","","0.0331","0.0313","","","0.0706","0.0712","","","","","","1.033","","","","has coordinates","303159","2025-11-04","23:41:29",""
"1576172","10.3786","0.0004","12.1026","0.0004","12.7904","0.0005","90","","106.534","0.001","90","","1540.15","0.1","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H40 Cl Co N4 -","- C35 H40 Cl Co N4 -","- C70 H80 Cl2 Co2 N8 -","2","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4","Chemical Science","2025","","","","","10.1039/D5SC06683B","","x-ray","1.34139","GaKα","","0.0301","0.0268","","","0.0617","0.0625","","","","","","1.001","","","","has coordinates","303159","2025-11-04","23:41:29",""
"1576173","16.9108","0.0016","9.8083","0.0008","15.5403","0.0014","90","","97.61","0.004","90","","2554.9","0.4","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H33 Cl2 Co N3 O -","- C25 H33 Cl2 Co N3 O -","- C100 H132 Cl8 Co4 N12 O4 -","4","2","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4","Chemical Science","2025","","","","","10.1039/D5SC06683B","","","1.34139","GaKα","","0.1351","0.0756","","","0.1492","0.173","","","","","","1.034","","","","has coordinates","303159","2025-11-04","23:41:30",""
"1576174","16.357","0.01","15.629","0.009","18.879","0.011","90","","91.176","0.011","90","","4825","5","233","2","233","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H71 B2 Li O4 -","- C52 H71 B2 Li O4 -","- C208 H284 B8 Li4 O16 -","4","0.5","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","","0.71073","MoKα","","0.1154","0.096","","","0.2331","0.249","","","","","","1.068","","","","has coordinates,has disorder","304078","2025-12-06","22:10:50",""
"1576175","7.4036","0.0008","17.71","0.002","11.1892","0.0012","90","","104.827","0.003","90","","1418.3","0.3","297","2","297","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H37 B2 Li O -","- C32 H37 B2 Li O -","- C64 H74 B4 Li2 O2 -","2","0.5","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","","0.71073","MoKα","","0.1153","0.0943","","","0.2557","0.2767","","","","","","1.052","","","","has coordinates","304078","2025-12-06","22:10:50",""
"1576176","11.279","0.0006","14.9402","0.0008","27.9641","0.0015","90","","101.434","0.002","90","","4618.7","0.4","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H71 B2 Li O4 Si -","- C48 H71 B2 Li O4 Si -","- C192 H284 B8 Li4 O16 Si4 -","4","1","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","x-ray","1.34138","GaKα","","0.0478","0.0367","","","0.0967","0.1013","","","","","","1.057","","","","has coordinates","304078","2025-12-06","22:10:50",""
"1576177","12.8532","0.0005","14.2497","0.0005","18.1037","0.0007","92.72","0.001","109.562","0.001","93.879","0.001","3108.5","0.2","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H39 B2 K O0.5 -","- C37 H39 B2 K O0.5 -","- C148 H156 B8 K4 O2 -","4","2","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","x-ray","1.34138","GaKα","","0.0528","0.0434","","","0.1203","0.1247","","","","","","1.054","","","","has coordinates,has disorder","304078","2025-12-06","22:10:50",""
"1576178","8.224","0.004","15.74","0.008","12.282","0.006","90","","102.199","0.016","90","","1554","1.3","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C35 H43 B2 Li O -","- C35 H43 B2 Li O -","- C70 H86 B4 Li2 O2 -","2","0.5","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","","0.71073","MoKα","","0.1127","0.0849","","","0.2282","0.253","","","","","","1.068","","","","has coordinates","304078","2025-12-06","22:10:50",""
"1576179","23.9471","0.0007","15.2701","0.0005","10.1658","0.0003","90","","90","","90","","3717.4","0.2","297","2","297","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H45 B2 Li O -","- C36 H45 B2 Li O -","- C144 H180 B8 Li4 O4 -","4","0.5","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","","1.54178","CuKα","","0.0785","0.071","","","0.245","0.2572","","","","","","1.072","","","","has coordinates","304078","2025-12-06","22:10:50",""
"1576180","34.596","0.003","12.0674","0.0011","24.239","0.002","90","","107.79","0.004","90","","9635.5","1.5","114","2","114","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H72 B2 Li N O4 -","- C53 H72 B2 Li N O4 -","- C424 H576 B16 Li8 N8 O32 -","8","2","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","","1.54178","CuKα","","0.0682","0.0617","","","0.1464","0.1514","","","","","","1.113","","","","has coordinates,has disorder","304078","2025-12-06","22:10:50",""
"1576181","8.1901","0.0014","8.2705","0.0014","26.638","0.005","90","","98.04","0.006","90","","1786.6","0.5","150.15","","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 Ag Bi Br8 N4 -","- C20 H48 Ag Bi Br8 N4 -","- C40 H96 Ag2 Bi2 Br16 N8 -","2","0.5","","Su, Chang-Yuan; Yi, Heng-Guan; Ni, Hao-Fei; Du, Guowei; Xia, San-Qiang; Liu, Zunqi; Zhang, Zhi-Xu; Fu, Da-Wei","Two-dimensional Lead-Free Double Perovskite Ferroelastic with Dynamic Thermochromism","Chemical Science","2025","","","","","10.1039/D5SC05158D","","","0.71073","MoKα","","0.139","0.1133","","","0.2884","0.2974","","","","","","1.253","","","","has coordinates","303161","2025-11-04","23:45:57",""
"1576182","5.818","0.002","5.818","0.002","28.386","0.015","90","","90","","90","","960.8","0.7","347","2","347","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C20 Ag Bi Br8 N4 -","- C20 Ag Bi Br8 N4 -","- C20 Ag Bi Br8 N4 -","1","0.03125","","Su, Chang-Yuan; Yi, Heng-Guan; Ni, Hao-Fei; Du, Guowei; Xia, San-Qiang; Liu, Zunqi; Zhang, Zhi-Xu; Fu, Da-Wei","Two-dimensional Lead-Free Double Perovskite Ferroelastic with Dynamic Thermochromism","Chemical Science","2025","","","","","10.1039/D5SC05158D","","","0.71073","MoKα","","0.0985","0.0609","","","0.1504","0.1827","","","","","","1.05","","","","has coordinates","303161","2025-11-04","23:46:00",""
"1576183","14.339","0.007","8.289","0.003","8.232","0.003","90","","99.762","0.012","90","","964.3","0.7","283","","283","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Br4 N2 Pb -","- C10 H24 Br4 N2 Pb -","- C20 H48 Br8 N4 Pb2 -","2","0.5","","Su, Chang-Yuan; Yi, Heng-Guan; Ni, Hao-Fei; Du, Guowei; Xia, San-Qiang; Liu, Zunqi; Zhang, Zhi-Xu; Fu, Da-Wei","Two-dimensional Lead-Free Double Perovskite Ferroelastic with Dynamic Thermochromism","Chemical Science","2025","","","","","10.1039/D5SC05158D","","","0.71073","MoKα","","0.0662","0.0447","","","0.1076","0.1196","","","","","","1.017","","","","has coordinates","303161","2025-11-04","23:46:10",""
"1576184","29.24","0.03","8.247","0.006","8.249","0.006","90","","90","","90","","1989","3","388","","388","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C20 Br8 N4 Pb2 -","- C20 Br8 N4 Pb2 -","- C40 Br16 N8 Pb4 -","2","0.125","","Su, Chang-Yuan; Yi, Heng-Guan; Ni, Hao-Fei; Du, Guowei; Xia, San-Qiang; Liu, Zunqi; Zhang, Zhi-Xu; Fu, Da-Wei","Two-dimensional Lead-Free Double Perovskite Ferroelastic with Dynamic Thermochromism","Chemical Science","2025","","","","","10.1039/D5SC05158D","","","0.71073","MoKα","","0.0819","0.0457","","","0.1053","0.119","","","","","","1.127","","","","has coordinates","303161","2025-11-04","23:46:11",""
"1576185","11.4849","0.001","14.1923","0.001","16.0109","0.0011","66.987","0.002","69.582","0.002","75.458","0.002","2231.1","0.3","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C111 H112 B2 N4 P2 S2 -","- C111 H112 B2 N4 P2 S2 -","- C111 H112 B2 N4 P2 S2 -","1","0.5","","Hong, Xianfang; Wei, Yi; Xing, Hao-Ran; Wang, Yu; Xi, Jia-Qi; Wu, Chen-Yang; Yuan, Li; Li, Cheng-Hui; Zheng, You-Xuan","Phenphosphine-X (O, S, Se) Locking Multi-resonance Thermally Activated Delayed Fluorescence Materials","Chemical Science","2025","","","","","10.1039/D5SC06565H","","","1.34139","GaKα","","0.0993","0.0657","","","0.1672","0.1925","","","","","","1.05","","","","has coordinates,has disorder","303162","2025-11-04","23:46:54",""
"1576186","10.7415","0.0019","13.639","0.003","16.481","0.003","92.727","0.005","97.742","0.005","99.273","0.005","2355.3","0.8","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 B N2 O P -","- C52 H52 B N2 O P -","- C104 H104 B2 N4 O2 P2 -","2","1","","Hong, Xianfang; Wei, Yi; Xing, Hao-Ran; Wang, Yu; Xi, Jia-Qi; Wu, Chen-Yang; Yuan, Li; Li, Cheng-Hui; Zheng, You-Xuan","Phenphosphine-X (O, S, Se) Locking Multi-resonance Thermally Activated Delayed Fluorescence Materials","Chemical Science","2025","","","","","10.1039/D5SC06565H","","","0.71073","MoKα","","0.1995","0.1191","","","0.2822","0.3333","","","","","","1.035","","","","has coordinates,has disorder","303162","2025-11-04","23:46:54",""
"1576187","11.912","0.003","19.904","0.004","21.598","0.004","105.673","0.006","93.452","0.007","106.204","0.007","4683.4","1.8","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C212 H216 B4 Cl8 N8 P4 Se4 -","- C208 H208 B4 N8 P4 Se4 -","- C208 H208 B4 N8 P4 Se4 -","1","0.5","","Hong, Xianfang; Wei, Yi; Xing, Hao-Ran; Wang, Yu; Xi, Jia-Qi; Wu, Chen-Yang; Yuan, Li; Li, Cheng-Hui; Zheng, You-Xuan","Phenphosphine-X (O, S, Se) Locking Multi-resonance Thermally Activated Delayed Fluorescence Materials","Chemical Science","2025","","","","","10.1039/D5SC06565H","","","0.71073","MoKα","","0.1784","0.1039","","","0.2653","0.3255","","","","","","1.031","","","","has coordinates","303162","2025-11-04","23:46:55",""
"1576188","17.4005","0.0002","17.4005","0.0002","63.4064","0.0013","90","","90","","90","","19198","0.5","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C120 H260 Cd16 Cl2 N24 O85 -","- C120 H260 Cd16 Cl2 N24 O85 -","- C480 H1040 Cd64 Cl8 N96 O340 -","4","0.25","","Lan, Biliu; Li, Ziling; Feng, Yanfang; Deng, Tao; Pan, Min; Zhang, Zhong","Light-induced access to a fluorescent Cd7Ag21 nanocluster from a halide-supported Cd8X nanocluster directed by a face-capping macrocyclic metalloligand","Chemical Science","2025","","","","","10.1039/D5SC04963F","","","1.54184","CuKα","","0.0627","0.059","","","0.1648","0.169","","","","","","1.085","","","","has coordinates","303163","2025-11-04","23:48:25",""
"1576189","15.686","0.0004","15.686","0.0004","123.421","0.002","90","","90","","120","","26299.3","1","295","2","295","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C120 H214 Br14 Cd19 N24 O59 -","- C120 H214 Br14 Cd19 N24 O59 -","- C720 H1284 Br84 Cd114 N144 O354 -","6","0.166667","","Lan, Biliu; Li, Ziling; Feng, Yanfang; Deng, Tao; Pan, Min; Zhang, Zhong","Light-induced access to a fluorescent Cd7Ag21 nanocluster from a halide-supported Cd8X nanocluster directed by a face-capping macrocyclic metalloligand","Chemical Science","2025","","","","","10.1039/D5SC04963F","","","1.54184","CuKα","","0.0552","0.0542","","","0.1379","0.1387","","","","","","1.098","","","","has coordinates","303163","2025-11-04","23:48:26",""
"1576190","18.1446","0.0003","20.626","0.0005","24.414","0.0004","82.1064","0.0017","83.9496","0.0015","66.522","0.002","8288.2","0.3","297","2","297","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H196 Ag21 Cd7 Cl2 N25 O68 -","- C105 H196 Ag21 Cd7 Cl2 N25 O68 -","- C210 H392 Ag42 Cd14 Cl4 N50 O136 -","2","1","","Lan, Biliu; Li, Ziling; Feng, Yanfang; Deng, Tao; Pan, Min; Zhang, Zhong","Light-induced access to a fluorescent Cd7Ag21 nanocluster from a halide-supported Cd8X nanocluster directed by a face-capping macrocyclic metalloligand","Chemical Science","2025","","","","","10.1039/D5SC04963F","","","1.54184","CuKα","","0.1381","0.1037","","","0.2641","0.2842","","","","","","1.036","","","","has coordinates,has disorder","303163","2025-11-04","23:48:26",""
"1576191","16.029","0.0002","16.029","0.0002","125.6151","0.0012","90","","90","","120","","27950.2","0.6","295","2","295","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C120 H214 Cd19 I14 N24 O59 -","- C120 H214 Cd19 I14 N24 O59 -","- C720 H1284 Cd114 I84 N144 O354 -","6","0.166667","","Lan, Biliu; Li, Ziling; Feng, Yanfang; Deng, Tao; Pan, Min; Zhang, Zhong","Light-induced access to a fluorescent Cd7Ag21 nanocluster from a halide-supported Cd8X nanocluster directed by a face-capping macrocyclic metalloligand","Chemical Science","2025","","","","","10.1039/D5SC04963F","","","1.54184","CuKα","","0.049","0.0469","","","0.1354","0.1371","","","","","","1.053","","","","has coordinates","303163","2025-11-04","23:48:26",""
"1576192","14.0473","0.0006","15.0466","0.0006","19.4211","0.0008","90","","90","","90","","4104.9","0.3","190","","190","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H34 N4 O8 P2 -","- C50 H34 N4 O8 P2 -","- C200 H136 N16 O32 P8 -","4","1","","Liu, Wenqi; Ling, Zhijie; Liu, Yang-Zi; Deng, Wei-Ping","Catalytic Asymmetric Construction of Remote P or Other Heteroatom (Si/S) Stereogenic Axially Chiral Scaffolds","Chemical Science","2025","","","","","10.1039/D5SC08143B","","","1.54178","CuKα","","0.0741","0.0575","","","0.133","0.148","","","","","","1.029","","","","has coordinates","303164","2025-11-04","23:49:06",""
"1576193","16.097","0.006","8.807","0.002","25.224","0.007","90","","109.127","0.01","90","","3378.5","1.8","190","","190","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C39 H30 Cl N2 O2 P2 -","- C39 H30 Cl N2 O2 P2 -","- C156 H120 Cl4 N8 O8 P8 -","4","1","","Liu, Wenqi; Ling, Zhijie; Liu, Yang-Zi; Deng, Wei-Ping","Catalytic Asymmetric Construction of Remote P or Other Heteroatom (Si/S) Stereogenic Axially Chiral Scaffolds","Chemical Science","2025","","","","","10.1039/D5SC08143B","","","0.71073","MoKα","","0.0488","0.0433","","","0.1057","0.1102","","","","","","1.04","","","","has coordinates","303164","2025-11-04","23:49:07",""
"1576194","9.8748","0.0002","7.8411","0.0002","32.5589","0.0006","90","","92.1684","0.0019","90","","2519.21","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H25 N O5 -","- C30 H25 N O5 -","- C120 H100 N4 O20 -","4","2","","Li, Zhen-Yu; Huang, Chun-Dong; Guan, Chun-Yan; Guo, Hui-Min; Liu, Ling-Min; Xiao, Xiao; Gao, Beiling; Ni, Shaofei; Mei, Guang-Jian","Cu-Catalyzed Enantioconvergent Oxygen-Centered Radical Cyclization","Chemical Science","2025","","","","","10.1039/D5SC07101A","","x-ray","1.54184","CuKα","","0.0645","0.0494","","","0.1332","0.1501","","","","","","1.014","","","","has coordinates","303165","2025-11-04","23:49:29",""
"1576195","11.205","0.002","8.3911","0.0018","37.457","0.008","90","","90","","90","","3521.8","1.2","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H13 Br N2 O3 Se -","- C19 H13 Br N2 O3 Se -","- C152 H104 Br8 N16 O24 Se8 -","8","1","","Zhou, Wei; Wang, Yan; Zhang, Shuning; Zhang, Chengwei; Pang, Jiacheng; Hou, Shaoneng; Li, Jie; Yao, Ying; Su, An; Ma, Peixiang; Xu, Hongtao; Hou, Wei","Highly Selective and AI-Predictable Se-N Exchange Chemistry Between Benzoselenazolones and Boronic Acids for Programmable, Parallel, and DNA-Encoded Library Synthesis","Chemical Science","2025","","","","","10.1039/D5SC05512A","","","1.34139","GaKα","","0.0703","0.0691","","","0.1885","0.189","","","","","","1.308","","","","has coordinates","303166","2025-11-04","23:49:46",""
"1576196","7.3114","0.0003","10.4814","0.0005","16.3409","0.0007","105.447","0.002","92.784","0.002","97.477","0.002","1192.22","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 N3 O4 Pd -","- C28 H25 N3 O4 Pd -","- C56 H50 N6 O8 Pd2 -","2","1","","Schomberg-Sanchez, Isaac S.; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martin A.; Lemon, Christopher M.","Hangman Dipyrrin Complexes","Chemical Science","2025","","","","","10.1039/D5SC06893B","","x-ray","0.71073","MoKα","K-L~3~","0.0426","0.0372","","","0.0853","0.0887","","","","","","1.108","","","","has coordinates","303168","2025-11-04","23:51:11",""
"1576197","21.5097","0.0009","21.5097","0.0009","15.9157","0.0011","90","","90","","90","","7363.7","0.7","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C44 H32 N6 O4 Zn -","- C44 H32 N6 O4 Zn -","- C352 H256 N48 O32 Zn8 -","8","0.5","","Schomberg-Sanchez, Isaac S.; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martin A.; Lemon, Christopher M.","Hangman Dipyrrin Complexes","Chemical Science","2025","","","","","10.1039/D5SC06893B","","x-ray","0.71073","MoKα","K-L~3~","0.0594","0.0429","","","0.1061","0.1166","","","","","","1.073","","","","has coordinates,has disorder","303168","2025-11-04","23:51:21",""
"1576198","38.9049","0.0011","5.6739","0.0002","24.1051","0.0006","90","","126.913","0.001","90","","4254.4","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 N6 O6 Pd S2 -","- C48 H44 N6 O6 Pd S2 -","- C192 H176 N24 O24 Pd4 S8 -","4","0.5","","Schomberg-Sanchez, Isaac S.; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martin A.; Lemon, Christopher M.","Hangman Dipyrrin Complexes","Chemical Science","2025","","","","","10.1039/D5SC06893B","","x-ray","0.71073","MoKα","K-L~3~","0.0519","0.0329","","","0.0619","0.0685","","","","","","1.03","","","","has coordinates,has disorder","303168","2025-11-04","23:51:21",""
"1576199","7.0141","0.0007","17.2303","0.0016","20.2314","0.0017","90","","97.876","0.003","90","","2422","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N3 O4 Pd -","- C28 H25 N3 O4 Pd -","- C112 H100 N12 O16 Pd4 -","4","1","","Schomberg-Sanchez, Isaac S.; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martin A.; Lemon, Christopher M.","Hangman Dipyrrin Complexes","Chemical Science","2025","","","","","10.1039/D5SC06893B","","x-ray","0.71073","MoKα","K-L~3~","0.0466","0.0378","","","0.0651","0.0689","","","","","","1.242","","","","has coordinates","303168","2025-11-04","23:51:21",""
"1576200","21.7492","0.0009","21.7492","0.0009","15.5858","0.001","90","","90","","90","","7372.5","0.6","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C46 H36 N6 O4 Zn -","- C46 H36 N6 O4 Zn -","- C368 H288 N48 O32 Zn8 -","8","0.5","","Schomberg-Sanchez, Isaac S.; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martin A.; Lemon, Christopher M.","Hangman Dipyrrin Complexes","Chemical Science","2025","","","","","10.1039/D5SC06893B","","x-ray","0.71073","MoKα","K-L~3~","0.0581","0.0426","","","0.1078","0.1189","","","","","","1.091","","","","has coordinates","303168","2025-11-04","23:51:22",""
"1576201","23.5997","0.0004","23.5997","0.0004","23.5997","0.0004","90","","90","","90","","13143.8","0.4","100","","100","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C69 H54 Co N9 O6 -","- C69 H54.0009 Co N9 O6 -","- C552 H432.007 Co8 N72 O48 -","8","0.333333","","Schomberg-Sanchez, Isaac S.; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martin A.; Lemon, Christopher M.","Hangman Dipyrrin Complexes","Chemical Science","2025","","","","","10.1039/D5SC06893B","","x-ray","0.71073","MoKα","K-L~3~","0.0605","0.05","","","0.1288","0.1376","","","","","","1.073","","","","has coordinates,has disorder","303168","2025-11-04","23:51:22",""
"1576202","9.9121","0.0005","23.2605","0.0011","21.4065","0.0011","90","","93.563","0.001","90","","4926","0.4","200","1","200","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H72 Cs F N O8 P -","- C47 H72 Cs F N O8 P -","- C188 H288 Cs4 F4 N4 O32 P4 -","4","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical Activation of Pincer-Ligated Phosphoranides: Mechanistic Insight for Reduction of Aryl Halides","Chemical Science","2025","","","","","10.1039/D5SC06960B","","","0.71073","MoKα","","0.0565","0.0444","","","0.0924","0.0967","","","","","","1.112","","","","has coordinates,has disorder","303169","2025-11-04","23:53:00",""
"1576203","12.0403","0.0002","12.4082","0.0002","14.2936","0.0003","102.973","0.001","98.828","0.001","106.389","0.001","1941.96","0.06","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H52 N O2 P -","- C43 H52 N O2 P -","- C86 H104 N2 O4 P2 -","2","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical Activation of Pincer-Ligated Phosphoranides: Mechanistic Insight for Reduction of Aryl Halides","Chemical Science","2025","","","","","10.1039/D5SC06960B","","x-ray","1.54178","CuKα","","0.0555","0.0511","","","0.139","0.1442","","","","","","1.024","","","","has coordinates,has disorder","303169","2025-11-04","23:53:02",""
"1576204","12.6836","0.0009","44.721","0.003","11.8935","0.0008","90","","98.973","0.001","90","","6663.7","0.8","200","2","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H90 N2 O4 P2 -","- C72 H90 N2 O4 P2 -","- C288 H360 N8 O16 P8 -","4","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical Activation of Pincer-Ligated Phosphoranides: Mechanistic Insight for Reduction of Aryl Halides","Chemical Science","2025","","","","","10.1039/D5SC06960B","","x-ray","0.71073","MoKα","","0.111","0.0789","","","0.1378","0.1487","","","","","","1.192","","","","has coordinates,has disorder","303169","2025-11-04","23:53:02",""
"1576205","9.2969","0.0001","15.9116","0.0002","18.7341","0.0003","79.756","0.001","79.904","0.001","79.803","0.001","2654.3","0.06","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H83 K N O8 P -","- C52 H83 K N O8 P -","- C104 H166 K2 N2 O16 P2 -","2","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical Activation of Pincer-Ligated Phosphoranides: Mechanistic Insight for Reduction of Aryl Halides","Chemical Science","2025","","","","","10.1039/D5SC06960B","","","1.54178","CuKα","","0.0433","0.0398","","","0.1074","0.1107","","","","","","1.049","","","","has coordinates,has disorder","303169","2025-11-04","23:53:02",""
"1576206","14.5374","0.0004","21.5756","0.0006","19.1473","0.0005","90","","96.87","0.002","90","","5962.5","0.3","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H89 K N O10 P -","- C56 H89 K N O10 P -","- C224 H356 K4 N4 O40 P4 -","4","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical Activation of Pincer-Ligated Phosphoranides: Mechanistic Insight for Reduction of Aryl Halides","Chemical Science","2025","","","","","10.1039/D5SC06960B","","x-ray","1.54178","CuKα","","0.0687","0.0474","","","0.1221","0.1354","","","","","","1.018","","","","has coordinates,has disorder","303169","2025-11-04","23:53:03",""
"1576207","10.5896","0.0004","15.6048","0.0005","22.7972","0.0007","90","","90.184","0.002","90","","3767.2","0.2","200","1","200","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41.25 H51.75 F0.75 N O2 P -","- C41.25 H51.75 F0.75 N O2 P -","- C165 H207 F3 N4 O8 P4 -","4","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical Activation of Pincer-Ligated Phosphoranides: Mechanistic Insight for Reduction of Aryl Halides","Chemical Science","2025","","","","","10.1039/D5SC06960B","","x-ray","0.71073","MoKα","","0.112","0.0768","","","0.1674","0.1835","","","","","","1.089","","","","has coordinates,has disorder","303169","2025-11-04","23:53:03",""
"1576208","14.5273","0.0002","16.7003","0.0002","17.1757","0.0002","118.647","0.001","101.045","0.001","96.322","0.001","3489.12","0.09","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C78 H95 F N2 O4 P2 -","- C78 H95 F N2 O4 P2 -","- C156 H190 F2 N4 O8 P4 -","2","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical Activation of Pincer-Ligated Phosphoranides: Mechanistic Insight for Reduction of Aryl Halides","Chemical Science","2025","","","","","10.1039/D5SC06960B","","x-ray","1.54178","CuKα","","0.0496","0.0421","","","0.1101","0.1164","","","","","","1.028","","","","has coordinates,has disorder","303169","2025-11-04","23:53:03",""
"1576209","12.2271","0.0004","19.3733","0.0008","19.2094","0.0008","90","","96.632","0.003","90","","4519.9","0.3","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H128 Li4 N4 O7 P2 -","- C86 H128 Li4 N4 O7 P2 -","- C172 H256 Li8 N8 O14 P4 -","2","0.5","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical Activation of Pincer-Ligated Phosphoranides: Mechanistic Insight for Reduction of Aryl Halides","Chemical Science","2025","","","","","10.1039/D5SC06960B","","","1.54178","CuKα","","0.1594","0.1013","","","0.2819","0.3322","","","","","","1.09","","","","has coordinates","303169","2025-11-04","23:53:03",""
"1576210","16.47","0.0006","16.47","0.0006","15.5495","0.0008","90","","90","","120","","3652.9","0.3","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C56 H48 Cl N18 -","- C56 H48 Cl N18 -","- C168 H144 Cl3 N54 -","3","0.166667","","Moral, Rubi; Pegu, Oiyao Appun; Das, Gopal","Anion-driven supramolecular gel: naked-eye detection of picric acid, facilitating <i>in situ</i> formation of gel nanocomposites and enabling solid-state anion exchange.","Nanoscale","2025","17","46","26845","26854","10.1039/d5nr04099j","","","0.71073","MoKα","","0.1454","0.1393","","","0.4081","0.4276","","","","","","2.177","","","","has coordinates","303849","2025-11-29","21:32:31",""
"1576211","17.31","0.002","17.31","0.002","15.538","0.004","90","","90","","120","","4032","1.2","295","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C28 H24 Br N9 -","- C28 H24 Br N9 -","- C168 H144 Br6 N54 -","6","0.333333","","Moral, Rubi; Pegu, Oiyao Appun; Das, Gopal","Anion-driven supramolecular gel: naked-eye detection of picric acid, facilitating <i>in situ</i> formation of gel nanocomposites and enabling solid-state anion exchange.","Nanoscale","2025","17","46","26845","26854","10.1039/d5nr04099j","","","0.71073","MoKα","","0.0965","0.0872","","","0.2488","0.2595","","","","","","1.096","","","","has coordinates","303849","2025-11-29","21:32:32",""
"1576212","17.333","0.003","17.333","0.003","15.209","0.003","90","","90","","120","","3957.1","1.2","297","2","297","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C28 H24 N10 O3 -","- C28 H24 N10 O3 -","- C168 H144 N60 O18 -","6","0.333333","","Moral, Rubi; Pegu, Oiyao Appun; Das, Gopal","Anion-driven supramolecular gel: naked-eye detection of picric acid, facilitating <i>in situ</i> formation of gel nanocomposites and enabling solid-state anion exchange.","Nanoscale","2025","17","46","26845","26854","10.1039/d5nr04099j","","","0.71073","MoKα","","0.0733","0.0529","","","0.1481","0.1762","","","","","","1.056","","","","has coordinates","303849","2025-11-29","21:32:32",""
"1576213","8.2595","0.0004","16.3723","0.0008","29.508","0.0014","90","","90","","90","","3990.3","0.3","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H32 N9 O5 P S -","- C30 H32 N9 O5 P S -","- C120 H128 N36 O20 P4 S4 -","4","1","","Moral, Rubi; Pegu, Oiyao Appun; Das, Gopal","Anion-driven supramolecular gel: naked-eye detection of picric acid, facilitating <i>in situ</i> formation of gel nanocomposites and enabling solid-state anion exchange.","Nanoscale","2025","17","46","26845","26854","10.1039/d5nr04099j","","","0.71073","MoKα","","0.1506","0.0923","","","0.1656","0.1907","","","","","","1.059","","","","has coordinates","303849","2025-11-29","21:32:32",""
"1576214","16.0579","0.0012","30.629","0.002","18.1661","0.0016","90","","97.854","0.007","90","","8851","1.2","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C92 H76 B Cl2 Cu4 N4 P4 -","- C92 H76 B Cl2 Cu4 N4 P4 -","- C368 H304 B4 Cl8 Cu16 N16 P16 -","4","1","","Tian, Ye; Xu, Wenlong; Zhu, Jian; Lu, Jiayu; Chen, Zhaohang; Alam, Fakhari; Shen, Honglei; Kang, Xi; Zhu, Manzhou","Reductant-selected formation of copper nanoclusters with crystallization-induced emission enhancement performance.","Nanoscale","2025","17","45","26123","26128","10.1039/d5nr03478g","","x-ray","1.54186","CuKα","","0.0418","0.0374","","","0.0992","0.1031","","","","","","1.041","","","","has coordinates","303850","2025-11-29","21:32:53",""
"1576215","23.408","0.0001","23.7025","0.0002","26.6242","0.0002","82.849","0.001","70.891","0.001","61.18","0.001","12219.1","0.2","120","0.2","120","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H117 Co2 N3 O32 P6 Ti6 -","- C76 H119 Co2 N3 O32 P6 Ti6 -","- C380 H595 Co10 N15 O160 P30 Ti30 -","5","2.5","","Zhang, Shiming; Zhao, Guoxiang; Yan, Yayu; Li, Qiao-Hong; Zhang, Hai-Xia; Wu, Xin; Zhang, Jian","A Bioinspired Polyoxo-Titanium Cluster for Efficient Photocatalytic CO2 Reduction Assisted by Hydrogen Bonding","Materials Horizons","2025","","","","","10.1039/D5MH01657F","","x-ray","1.3405","GaKα","","0.0757","0.0609","","","0.1558","0.1649","","","","","","1.046","","","","has coordinates,has disorder","303189","2025-11-05","04:43:39",""
"1576216","11.33","0.0001","12.8285","0.0002","19.9795","0.0002","93.765","0.001","104.804","0.001","96.71","0.001","2774.5","0.06","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C88 H146 N2 O36 P6 Ti8 -","- C88 H146 N2 O36 P6 Ti8 -","- C88 H146 N2 O36 P6 Ti8 -","1","0.5","","Zhang, Shiming; Zhao, Guoxiang; Yan, Yayu; Li, Qiao-Hong; Zhang, Hai-Xia; Wu, Xin; Zhang, Jian","A Bioinspired Polyoxo-Titanium Cluster for Efficient Photocatalytic CO2 Reduction Assisted by Hydrogen Bonding","Materials Horizons","2025","","","","","10.1039/D5MH01657F","","x-ray","1.54184","CuKα","","0.0314","0.0303","","","0.0853","0.0859","","","","","","1.077","","","","has coordinates,has disorder","303189","2025-11-05","04:43:43",""
"1576217","15.5362","0.0003","16.5431","0.0003","20.2811","0.0003","99.423","0.001","106.406","0.002","100.218","0.002","4793.16","0.16","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H118 Co2 N2 O32 P6 Ti6 -","- C76 H118 Co2 N2 O32 P6 Ti6 -","- C152 H236 Co4 N4 O64 P12 Ti12 -","2","1","","Zhang, Shiming; Zhao, Guoxiang; Yan, Yayu; Li, Qiao-Hong; Zhang, Hai-Xia; Wu, Xin; Zhang, Jian","A Bioinspired Polyoxo-Titanium Cluster for Efficient Photocatalytic CO2 Reduction Assisted by Hydrogen Bonding","Materials Horizons","2025","","","","","10.1039/D5MH01657F","","x-ray","1.3405","GaKα","","0.0808","0.0688","","","0.1755","0.1817","","","","","","1.079","","","","has coordinates,has disorder","303189","2025-11-05","04:43:43",""
"1576219","10.305","0.0003","11.2133","0.0003","20.326","0.0006","87.874","0.001","82.5","0.001","68.349","0.001","2164.19","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl Fe N2 O5 -","- C22 H26 Cl Fe N2 O5 -","- C88 H104 Cl4 Fe4 N8 O20 -","4","2","","Usman, Mohammad; Hussein, Mohamed A. T.; Kandiel, Tarek; Yamani, Zain Hassan; Shaikh, M. Nasiruzzaman","Catalytic Ammonia Oxidation via High-Spin Fe(III) Complex: DFT-Driven Mechanistic Elucidation","Catalysis Science & Technology","2025","","","","","10.1039/D5CY01107H","","x-ray","0.71073","MoKα","","0.0715","0.0609","","","0.1223","0.1267","","","","","","1.137","","","","has coordinates","303194","2025-11-05","22:44:32",""
"1576220","18.5453","0.0003","19.3393","0.0004","21.2202","0.0003","103.892","0.001","103.672","0.001","112.409","0.002","6358","0.2","100.01","0.1","100.01","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C81.16 H52.32 Ag2 Al2 Cl2.32 F72 Fe2 Mo4 O16 P14 -","- C81.16 H52.32 Ag2 Al2 Cl2.32 F72 Fe2 Mo4 O16 P14 -","- C162.32 H104.64 Ag4 Al4 Cl4.64 F144 Fe4 Mo8 O32 P28 -","2","1","","Mondal, Bijan; Riesinger, Christoph; Scheer, Manfred","Two in one: a facile modular approach for the assembly of pnictogen-rich heteroleptic organometallic complexes","Chemical Science","2025","","","","","10.1039/D5SC07723K","","x-ray","0.71073","MoKα","","0.0976","0.0716","","","0.177","0.1943","","","","","","1.017","","","","has coordinates,has disorder","303201","2025-11-05","23:31:11",""
"1576221","19.0953","0.0002","21.5012","0.0002","31.8903","0.0004","90","","92.904","0.001","90","","13076.4","0.2","123","0.1","123","0.1","","","","","","","","11","P 1 21/n 1","-P 2yn","14","","","","- C86 H49 Ag2 Al2 As6 Cl4 F72 Fe Mo6 O20 P5 -","- C86 H49 Ag2 Al2 As6 Cl4 F72 Fe Mo6 O20 P5 -","- C344 H196 Ag8 Al8 As24 Cl16 F288 Fe4 Mo24 O80 P20 -","4","1","","Mondal, Bijan; Riesinger, Christoph; Scheer, Manfred","Two in one: a facile modular approach for the assembly of pnictogen-rich heteroleptic organometallic complexes","Chemical Science","2025","","","","","10.1039/D5SC07723K","","x-ray","1.54184","CuKα","","0.0869","0.0797","","","0.2385","0.2451","","","","","","1.076","","","","has coordinates,has disorder","303201","2025-11-05","23:31:15",""
"1576222","17.5136","0.0003","17.5204","0.0004","18.5072","0.0003","61.798","0.002","61.781","0.002","60.021","0.002","4121.44","0.17","100.01","0.1","100.01","0.1","","","","","","","","11","P 1","P 1","1","","","","- C103 H51 Ag3 Al3 Cl6 F108 Fe Mo6 O24 P8 Sb3 -","- C103 H51 Ag3 Al3 Cl6 F107.999 Fe Mo6 O23.9999 P8 Sb3 -","- C103 H51 Ag3 Al3 Cl6 F107.999 Fe Mo6 O23.9999 P8 Sb3 -","1","1","","Mondal, Bijan; Riesinger, Christoph; Scheer, Manfred","Two in one: a facile modular approach for the assembly of pnictogen-rich heteroleptic organometallic complexes","Chemical Science","2025","","","","","10.1039/D5SC07723K","","x-ray","0.71073","MoKα","","0.108","0.1009","","","0.2708","0.2801","","","","","","1.256","","","","has coordinates,has disorder","303201","2025-11-05","23:31:17",""
"1576223","34.8753","0.0003","23.642","0.0002","30.7178","0.0003","90","","107.984","0.0009","90","","24090","0.4","100.01","0.1","100.01","0.1","","","","","","","","11","C 1 2/c 1","-C 2yc","15","","","","- C77 H48 Ag2 Al2 Cl4 F72 Fe Mo4 N O16 P9 -","- C73 H41 Ag2 Al2 F72 Fe Mo4 O16 P9 -","- C584 H328 Ag16 Al16 F576 Fe8 Mo32 O128 P72 -","8","1","","Mondal, Bijan; Riesinger, Christoph; Scheer, Manfred","Two in one: a facile modular approach for the assembly of pnictogen-rich heteroleptic organometallic complexes","Chemical Science","2025","","","","","10.1039/D5SC07723K","","x-ray","1.54184","CuKα","","0.0951","0.0832","","","0.2479","0.2585","","","","","","1.081","","","","has coordinates,has disorder","303201","2025-11-05","23:31:18",""
"1576224","19.0233","0.0005","20.1187","0.0005","22.1771","0.0005","74.251","0.002","65.788","0.002","64.305","0.003","6930.2","0.4","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C86 H4 Ag2 Al2 Cl4 F72 Fe4 O8 P20 -","- C84 H83.2382 Ag2 Al2 F72 Fe4 O8 P20 -","- C168 H166.476 Ag4 Al4 F144 Fe8 O16 P40 -","2","1","","Mondal, Bijan; Riesinger, Christoph; Scheer, Manfred","Two in one: a facile modular approach for the assembly of pnictogen-rich heteroleptic organometallic complexes","Chemical Science","2025","","","","","10.1039/D5SC07723K","","x-ray","0.71073","MoKα","","0.1255","0.086","","","0.2366","0.2673","","","","","","1.027","","","","has coordinates,has disorder","303201","2025-11-05","23:31:22",""
"1576225","20.2772","0.0002","24.3724","0.0002","29.7219","0.0002","104.351","0.001","94.149","0.001","90.781","0.001","14185.5","0.2","100","0.11","100","0.11","","","","","","","","11","P -1","-P 1","2","","","","- C196 H155 Ag4 Al4 As6 Cl2 F144 Fe2 Mo12 O40 P16 -","- C175 H106 Ag4 Al4 As6 Cl2 F144 Fe2 Mo12 O40 P16 -","- C350 H212 Ag8 Al8 As12 Cl4 F288 Fe4 Mo24 O80 P32 -","2","1","","Mondal, Bijan; Riesinger, Christoph; Scheer, Manfred","Two in one: a facile modular approach for the assembly of pnictogen-rich heteroleptic organometallic complexes","Chemical Science","2025","","","","","10.1039/D5SC07723K","","x-ray","0.71073","MoKα","","0.1887","0.0639","","","0.1393","0.1727","","","","","","0.97","","","","has coordinates,has disorder","303201","2025-11-05","23:31:22",""
"1576226","17.9924","0.0006","11.0902","0.0004","15.8252","0.0006","90","","100.242","0.001","90","","3107.43","0.19","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 F4 N O2 P -","- C16 H14 F4 N O2 P -","- C128 H112 F32 N8 O16 P8 -","8","1","","Pan, Ailin; Rotella, Madeline E.; Meng, Yamiao; Xun, Tian; Duan, Shengzu; Jiang, Yonggang; Deng, Guogang; Limburg, Bart; Zhang, Hongbin; Kozlowski, Marisa C.; Walsh, Patrick J.; Yang, Xiaodong","1,2-Hydrogen Atom Transfer of Aminyl Radicals under Photoredox Catalysis for the Synthesis of α-Amino Phosphine Oxides","Chemical Science","2025","","","","","10.1039/D5SC00268K","","x-ray","0.71073","MoKα","","0.0461","0.0404","","","0.0998","0.1036","","","","","","1.041","","","","has coordinates","303202","2025-11-05","23:32:26",""
"1576227","4.415","","4.415","","8.555","","90","","90","","90","","166.756","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","Mg3Al","","Unknown","- Al Mg3 -","- Al2 Mg6 -","- Al2 Mg6 -","1","0.03125","","Unknown","Mg<sub>3</sub>Al","The Materials Project","2025","","","Unknown","","","","","","","","","","","","","","","","","","","","","","","has coordinates","303211","2025-11-06","07:33:19",""
"1576228","15.7617","0.0007","12.2724","0.0005","15.968","0.0008","90","","105.204","0.005","90","","2980.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O12 -","- C12 H12 O12 -","- C96 H96 O96 -","8","2","","Liu, Zhen-Wei; Wang, Yuanrui; A., Ru-Han; Wu, Xiao-Feng","Nickel-catalyzed aminocarbonylation of aryl chlorides enabled by a newly designed CO source","Chemical Science","2025","","","","","10.1039/D5SC07751F","","","1.54178","CuKα","","0.0706","0.0592","","","0.1569","0.1669","","","","","","1.081","","","","has coordinates,has disorder","303216","2025-11-06","23:22:29",""
"1576229","38.521","0.0013","11.1805","0.0004","10.7923","0.0004","90","","95.106","0.001","90","","4629.6","0.3","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 N3 O3 -","- C24 H35 N3 O3 -","- C192 H280 N24 O24 -","8","2","","Wang, Yini; Li, Xiaoli; Peng, Chengxing; Chen, Yu; Lu, Xi; Zhu, Yuhang; Yu, Peiyuan; Zhong, Guofu; Zhang, Jian","Chelation-assisted multiple and relay C–H functionalization of unactivated aliphatic E-alkenes","Chemical Science","2025","","","","","10.1039/D5SC07408H","","","1.34139","GaKα","","0.0618","0.0433","","","0.1005","0.1098","","","","","","1.043","","","","has coordinates","303217","2025-11-06","23:25:14",""
"1576230","5.6835","0.0003","21.2737","0.0012","12.2589","0.0007","90","","96.932","0.003","90","","1471.38","0.14","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H38 N3 O6 -","- C31 H38 N3 O6 -","- C62 H76 N6 O12 -","2","1","","Wang, Yini; Li, Xiaoli; Peng, Chengxing; Chen, Yu; Lu, Xi; Zhu, Yuhang; Yu, Peiyuan; Zhong, Guofu; Zhang, Jian","Chelation-assisted multiple and relay C–H functionalization of unactivated aliphatic E-alkenes","Chemical Science","2025","","","","","10.1039/D5SC07408H","","","1.34139","GaKα","","0.0868","0.0617","","","0.1274","0.1357","","","","","","1.054","","","","has coordinates,has disorder","303217","2025-11-06","23:25:15",""
"1576231","10.4082","0.0009","12.4962","0.0011","27.205","0.003","93.445","0.004","90.785","0.004","103.964","0.004","3426.1","0.6","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H33 F4 N3 O -","- C40 H33 F4 N3 O -","- C160 H132 F16 N12 O4 -","4","2","","Wang, Yini; Li, Xiaoli; Peng, Chengxing; Chen, Yu; Lu, Xi; Zhu, Yuhang; Yu, Peiyuan; Zhong, Guofu; Zhang, Jian","Chelation-assisted multiple and relay C–H functionalization of unactivated aliphatic E-alkenes","Chemical Science","2025","","","","","10.1039/D5SC07408H","","","1.34139","GaKα","","0.118","0.0656","","","0.1557","0.1776","","","","","","1.024","","","","has coordinates","303217","2025-11-06","23:25:15",""
"1576232","11.1747","0.0007","21.3153","0.0013","33.4672","0.0019","90","","90","","90","","7971.6","0.8","170","","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H63 N3 O Si2 -","- C37 H63 N3 O Si2 -","- C296 H504 N24 O8 Si16 -","8","1","","Wang, Yini; Li, Xiaoli; Peng, Chengxing; Chen, Yu; Lu, Xi; Zhu, Yuhang; Yu, Peiyuan; Zhong, Guofu; Zhang, Jian","Chelation-assisted multiple and relay C–H functionalization of unactivated aliphatic E-alkenes","Chemical Science","2025","","","","","10.1039/D5SC07408H","","","1.34139","GaKα","","0.091","0.0713","","","0.1847","0.1982","","","","","","1.021","","","","has coordinates,has disorder","303217","2025-11-06","23:25:15",""
"1576233","11.4773","0.0004","15.0019","0.0007","17.379","0.0007","111.95","0.001","96.586","0.002","109.074","0.001","2525.49","0.18","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H12 Ag B2 F36 N -","- C55 H12 Ag B2 F36 N -","- C110 H24 Ag2 B4 F72 N2 -","2","1","","Berg, Willi Ragnar; Moshtaha, Amina Leoni; Sievers, Robin; Reimann, Marc; Streit, Tim-Niclas; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz","A facile route to ‘naked’ Ag+ ions enabling the coordination of the weak Lewis base Ni(CO)4","Chemical Science","2025","","","","","10.1039/D5SC05589J","","","0.71073","MoKα","","0.0388","0.0318","","","0.0745","0.0805","","","","","","1.085","","","","has coordinates,has disorder","303226","2025-11-07","23:30:49",""
"1576234","13.288","0.0005","28.0807","0.001","13.7219","0.0004","90","","91.614","0.001","90","","5118.1","0.3","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43.7 H6.2 Ag B2 Cl6.2 F30 N Ni0.9 O3.6 -","- C42.7 H4.2 Ag B2 Cl4.2 F30 N Ni0.9 O3.6 -","- C170.8 H16.8 Ag4 B8 Cl16.8 F120 N4 Ni3.6 O14.4 -","4","1","","Berg, Willi Ragnar; Moshtaha, Amina Leoni; Sievers, Robin; Reimann, Marc; Streit, Tim-Niclas; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz","A facile route to ‘naked’ Ag+ ions enabling the coordination of the weak Lewis base Ni(CO)4","Chemical Science","2025","","","","","10.1039/D5SC05589J","","","0.71073","MoKα","","0.0595","0.0444","","","0.1064","0.1188","","","","","","1.059","","","","has coordinates,has disorder","303226","2025-11-07","23:30:50",""
"1576235","9.7717","0.0002","9.8251","0.0001","15.0404","0.0002","89.254","0.001","75.633","0.001","78.132","0.001","1367.84","0.04","100","","100","","","","","","","","","7","P -1","-P 1","2","","MoO(OtBuF9)2(py)3","","- C22.69 H17.82 F15.19 Mo N3 O3 Si0.31 -","- C22.694 H17.826 F15.192 Mo N3 O3 Si0.314 -","- C45.388 H35.652 F30.384 Mo2 N6 O6 Si0.628 -","2","1","","Nater, Darryl F.; de Zwart, Felix J.; Kaeffer, Nicolas; Copéret, Christophe","Initiating olefin metathesis: alkylidenes from molecular Mo(iv)-oxo species, olefins and base-promoted proton transfer","Chemical Science","2025","","","","","10.1039/D5SC06662J","","","0.71073","MoKα","","0.0586","0.0478","","","0.1041","0.1085","","","","","","1.09","","","","has coordinates,has disorder","303227","2025-11-07","23:31:21",""
"1576236","10.8082","0.0004","17.7991","0.0005","10.1192","0.0004","90","","110.743","0.004","90","","1820.51","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23.1 H24.1 F27.9 Mo2 O8 Si0.9 -","- C23.1 H24.1 F27.9 Mo2 O8 Si0.9 -","- C46.2 H48.2 F55.8 Mo4 O16 Si1.8 -","2","0.5","","Nater, Darryl F.; de Zwart, Felix J.; Kaeffer, Nicolas; Copéret, Christophe","Initiating olefin metathesis: alkylidenes from molecular Mo(iv)-oxo species, olefins and base-promoted proton transfer","Chemical Science","2025","","","","","10.1039/D5SC06662J","","","0.71073","MoKα","","0.088","0.0839","","","0.2282","0.2358","","","","","","1.051","","","","has coordinates,has disorder","303227","2025-11-07","23:31:22",""
"1576237","14.8285","0.0011","15.678","0.0009","24.1104","0.0011","93.438","0.004","106.677","0.006","100.91","0.005","5233.3","0.6","170.2","0.9","170.2","0.9","","","","","","","","4","P -1","-P 1","2","","","","- C119 H97 Cl3 N8 -","- C119 H97 Cl3 N8 -","- C238 H194 Cl6 N16 -","2","1","","Yu, Meng-Xue; Feng, Chao; Guo, Wei-Chen; Chen, Chuan-Feng","A bow-like axially chiral cycloparaphenylene with simultaneously enhanced photoluminescence quantum yield and dissymmetry factor","Chemical Science","2025","","","","","10.1039/D5SC07321A","","x-ray","1.54184","CuKα","","0.2147","0.1424","","","0.2634","0.2976","","","","","","1.029","","","","has coordinates,has disorder","303258","2025-11-11","23:15:22",""
"1576238","21.0151","0.0011","28.0832","0.0015","28.4875","0.0015","90","","96.835","0.002","90","","16693","1.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C155 H190 Cl24 N20 O3 -","- C155 H190 Cl24 N20 O3 -","- C620 H760 Cl96 N80 O12 -","4","1","","Cao, Ze; Ge, Chenqi; Wu, Guangcheng; Tang, Hua; Wu, Yating; Kuang, Yueyan; Lu, Yuyang; Liu, Jiyong; Li, Hao","A self-assembled macrocycle with a non-closed structure for hierarchically upgraded self-assembly","Chemical Science","2025","","","","","10.1039/D5SC06544E","","x-ray","1.34139","GaKα","","0.2148","0.106","","","0.2687","0.3458","","","","","","0.996","","","","has coordinates","303259","2025-11-11","23:15:46",""
"1576239","8.2954","0.0005","9.0584","0.0005","13.3668","0.0008","73.851","0.005","85.864","0.005","79.04","0.004","946.99","0.1","120","2","120","2","","","","","","","","6","P 1","P 1","1","","(R,Z)-(((3-(3-chlorophenyl)cyclobutylidene)amino)oxy)diphenylphosphine oxide","","- C22 H19 Cl N O2 P -","- C22 H19 Cl N O2 P -","- C44 H38 Cl2 N2 O4 P2 -","2","2","","Hammes, Jasmin; Mañas, Clara; Pedada, Abhilash; Arnold, Marlene; Wahl, Johannes M.","Synthesis of chiral lactams by asymmetric nitrogen insertion","Chemical Science","2025","","","","","10.1039/D5SC08417B","","","0.71073","MoKα","","0.1022","0.0657","","","0.1267","0.1479","","","","","","1.066","","","","has coordinates,has disorder","303260","2025-11-11","23:16:15",""
"1576240","10.118","0.003","6.0259","0.0006","15.268","0.003","90","","107.408","0.016","90","","888.3","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-4-(3-chlorophenyl)pyrrolidin-2-one","","- C10 H10 Cl N O -","- C10 H10 Cl N O -","- C40 H40 Cl4 N4 O4 -","4","2","","Hammes, Jasmin; Mañas, Clara; Pedada, Abhilash; Arnold, Marlene; Wahl, Johannes M.","Synthesis of chiral lactams by asymmetric nitrogen insertion","Chemical Science","2025","","","","","10.1039/D5SC08417B","","","0.71073","MoKα","","0.0742","0.0509","","","0.106","0.1171","","","","","","1.045","","","","has coordinates","303260","2025-11-11","23:16:16",""
"1576241","9.885","0.0002","11.0446","0.0002","11.2308","0.0002","107.722","0.001","104.448","0.001","111.117","0.001","996.54","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 F2 N3 S -","- C24 H17 F2 N3 S -","- C48 H34 F4 N6 S2 -","2","1","","Wang, Jie; Kang, Hao; Yang, Shan; Zhu, Cao; Chen, Xiangyang; Zhu, Chen","Cis-Difluoromethyl Hetarylative Dearomatization by Radical Docking-Migration Cascade","Chemical Science","2025","","","","","10.1039/D5SC07904G","","","1.54178","CuKα","","0.0361","0.0308","","","0.0826","0.0838","","","","","","1.035","","","","has coordinates","303261","2025-11-11","23:17:02",""
"1576242","5.4759","0.0001","10.6882","0.0002","12.1415","0.0003","92.345","0.001","96.685","0.001","101.692","0.001","689.61","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 F2 N O2 S -","- C15 H13 F2 N O2 S -","- C30 H26 F4 N2 O4 S2 -","2","1","","Wang, Jie; Kang, Hao; Yang, Shan; Zhu, Cao; Chen, Xiangyang; Zhu, Chen","Cis-Difluoromethyl Hetarylative Dearomatization by Radical Docking-Migration Cascade","Chemical Science","2025","","","","","10.1039/D5SC07904G","","","1.54178","CuKα","","0.0364","0.031","","","0.0852","0.0868","","","","","","0.983","","","","has coordinates","303261","2025-11-11","23:17:03",""
"1576243","11.3756","0.0001","12.792","0.0002","13.8892","0.0002","78.573","0.001","66.76","0.001","74.049","0.001","1776.39","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 F2 N S2 -","- C20 H19 F2 N S2 -","- C80 H76 F8 N4 S8 -","4","2","","Wang, Jie; Kang, Hao; Yang, Shan; Zhu, Cao; Chen, Xiangyang; Zhu, Chen","Cis-Difluoromethyl Hetarylative Dearomatization by Radical Docking-Migration Cascade","Chemical Science","2025","","","","","10.1039/D5SC07904G","","","1.54184","CuKα","","0.0327","0.0312","","","0.0825","0.0833","","","","","","1.044","","","","has coordinates","303261","2025-11-11","23:17:04",""
"1576244","10.8687","0.0004","12.8732","0.0005","19.6339","0.0008","77.248","0.001","88.622","0.001","79.11","0.001","2630.62","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H67 Cl N8 O3 -","- C61 H67 Cl N8 O3 -","- C122 H134 Cl2 N16 O6 -","2","1","","Alimi, Lukman O.; Khalfay, Nida; Khlifi, Soumaya; Lin, Weibin; Moosa, Basem; Khashab, Niveen M.","A nonporous crystalline organic cage for selective water uptake and storage","Chemical Science","2025","","","","","10.1039/D5SC06328K","","","0.71073","MoKα","","0.1155","0.0804","","","0.2215","0.2427","","","","","","1.094","","","","has coordinates,has disorder","303262","2025-11-11","23:17:45",""
"1576245","10.9208","0.0009","13.5651","0.001","19.7896","0.0015","107.002","0.002","94.441","0.003","102.646","0.003","2703.9","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H56 Cl6 N8 O3 -","- C56 H56 Cl6 N8 O3 -","- C112 H112 Cl12 N16 O6 -","2","1","","Alimi, Lukman O.; Khalfay, Nida; Khlifi, Soumaya; Lin, Weibin; Moosa, Basem; Khashab, Niveen M.","A nonporous crystalline organic cage for selective water uptake and storage","Chemical Science","2025","","","","","10.1039/D5SC06328K","","","0.71073","MoKα","","0.047","0.0399","","","0.0986","0.105","","","","","","1.032","","","","has coordinates","303262","2025-11-11","23:17:45",""
"1576246","21.4759","0.0012","10.6707","0.0005","23.6099","0.0013","90","","110.611","0.002","90","","5064.2","0.5","120","2","120","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C54 H65.94 N8 O8.95 -","- C54 H65.944 N8 O8.944 -","- C216 H263.776 N32 O35.776 -","4","1","","Alimi, Lukman O.; Khalfay, Nida; Khlifi, Soumaya; Lin, Weibin; Moosa, Basem; Khashab, Niveen M.","A nonporous crystalline organic cage for selective water uptake and storage","Chemical Science","2025","","","","","10.1039/D5SC06328K","","","0.71073","MoKα","","0.0598","0.0504","","","0.1395","0.1477","","","","","","1.068","","","","has coordinates,has disorder","303262","2025-11-11","23:17:46",""
"1576247","14.3319","0.0003","14.3319","0.0003","14.3319","0.0003","90","","90","","90","","2943.82","0.11","100","0.1","100","0.1","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C6 H14 Cl3 N2.72 Na0.28 O12 -","- C6 H14 Cl3 N2.715 Na0.285 O12 -","- C48 H112 Cl24 N21.72 Na2.28 O96 -","8","0.333333","","Li, Min; Han, Dandan; Lin, Zheng; Qi, Xiujuan; Xia, Honglei; Wang, Zhao; Zhang, Qinghua; Gong, Junbo","Controllable Synthesis of Perovskite Solid Solutions as New-Concept Energetic Materials via Thermodynamic Equilibrium","Chemical Science","2025","","","","","10.1039/D5SC05641A","","x-ray","1.54184","CuKα","","0.0376","0.0368","","","0.0975","0.098","","","","","","1.209","","","","has coordinates,has disorder","303263","2025-11-11","23:18:26",""
"1576248","14.3168","0.0003","14.3168","0.0003","14.3168","0.0003","90","","90","","90","","2934.53","0.11","100","0.1","100","0.1","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C2 H5.88 Ag0.03 Cl N0.97 O4 -","- C2 H5.88063 Ag0.0298333 Cl N0.970167 O4 -","- C48 H141.135 Ag0.716 Cl24 N23.284 O96 -","24","1","","Li, Min; Han, Dandan; Lin, Zheng; Qi, Xiujuan; Xia, Honglei; Wang, Zhao; Zhang, Qinghua; Gong, Junbo","Controllable Synthesis of Perovskite Solid Solutions as New-Concept Energetic Materials via Thermodynamic Equilibrium","Chemical Science","2025","","","","","10.1039/D5SC05641A","","x-ray","0.71073","MoKα","","0.047","0.0323","","","0.0826","0.0905","","","","","","1.092","","","","has coordinates,has disorder","303263","2025-11-11","23:18:27",""
"1576249","7.1432","0.0004","8.266","0.0005","8.5093","0.0005","84.334","0.003","77.131","0.003","68.244","0.002","454.86","0.05","180","","180","","","","","","","","","3","P -1","-P 1","2","","1,1',3,3',5,5'-hexamethyl-4,4'-bis(trifluoromethyl)-[1,1'-bi(cyclohexane)]-2,2',5,5'-tetraene","","- C20 H24 F6 -","- C20 H24 F6 -","- C20 H24 F6 -","1","0.5","","Pospisil, Petr; Motornov, Vladimir; Michal, Ondřej; Wohlrábová, Lucie; Boháčová, Soňa; Slanina, Tomáš; Tarábek, Ján; Klepetářová, Blanka; Beier, Petr","Photochemical Cu(III)-mediated trifluoromethylation of (hetero)arenes and biomolecules","Chemical Science","2025","","","","","10.1039/D5SC07405C","","x-ray","1.54178","CuKα","","0.0472","0.0427","","0.1263","0.1193","0.1263","","","","","","0.9755","","","","has coordinates","303264","2025-11-11","23:19:00",""
"1576250","9.6718","0.0002","7.81519","0.00014","15.5844","0.0004","90","","98.285","0.002","90","","1165.68","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-methyl-7-propyl-8-(trifluoromethyl)-3,7-dihydro-1/H/-purine-2,6-dione","","- C10 H11 F3 N4 O2 -","- C10 H11 F3 N4 O2 -","- C40 H44 F12 N16 O8 -","4","1","","Pospisil, Petr; Motornov, Vladimir; Michal, Ondřej; Wohlrábová, Lucie; Boháčová, Soňa; Slanina, Tomáš; Tarábek, Ján; Klepetářová, Blanka; Beier, Petr","Photochemical Cu(III)-mediated trifluoromethylation of (hetero)arenes and biomolecules","Chemical Science","2025","","","","","10.1039/D5SC07405C","","x-ray","1.54184","CuKα","","0.0573","0.0463","","0.1326","0.124","0.1326","","","","","","0.9849","","","","has coordinates","303264","2025-11-11","23:19:01",""
"1576251","6.35117","0.00016","12.247","0.0003","9.113","0.0002","90","","106.27","0.003","90","","680.45","0.03","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ammonium copper(II) sulfate hexahydrate","","- Cu H20 N2 O14 S2 -","- Cu H20 N2 O14 S2 -","- Cu2 H40 N4 O28 S4 -","2","0.5","","Pospisil, Petr; Motornov, Vladimir; Michal, Ondřej; Wohlrábová, Lucie; Boháčová, Soňa; Slanina, Tomáš; Tarábek, Ján; Klepetářová, Blanka; Beier, Petr","Photochemical Cu(III)-mediated trifluoromethylation of (hetero)arenes and biomolecules","Chemical Science","2025","","","","","10.1039/D5SC07405C","","x-ray","1.54184","CuKα","","0.028","0.0269","","0.0741","0.0733","0.0741","","","","","","0.9991","","","","has coordinates","303264","2025-11-11","23:19:01",""
"1576252","15.66","0.004","15.511","0.005","17.028","0.003","90","","116.83","0.02","90","","3690.9","1.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","SIMOF-5","","","- C58 H10 Cu12 O48 -","- C58 H10 Cu12 O48 -","- C116 H20 Cu24 O96 -","2","1","","Main, Russell; Rainer, Daniel N.; Bauzá, Marta; Ettlinger, Romy; Kelly, Nicole L.; Coles, Simon; Ashbrook, Sharon Elizabeth; Morris, Russell","A flexible copper MOF as a carboxylate-specific crystalline sponge for structure solution using X-ray and electron diffraction.","Chemical Science","2025","","","","","10.1039/D5SC05651A","","","0.6889","","","0.7362","0.1574","","","0.3384","0.447","","","","","","0.501","","","","has coordinates","303265","2025-11-11","23:20:55",""
"1576253","17.071","0.003","20.985","0.004","16.56","0.003","90","","115.245","0.003","90","","5365.8","1.7","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SIMOF-5","","","- C16.5 H9.45 Cu3 N0.5 O14.5 -","- C16.5 H9.445 Cu3 N0.5 O14.5 -","- C132 H75.56 Cu24 N4 O116 -","8","2","","Main, Russell; Rainer, Daniel N.; Bauzá, Marta; Ettlinger, Romy; Kelly, Nicole L.; Coles, Simon; Ashbrook, Sharon Elizabeth; Morris, Russell","A flexible copper MOF as a carboxylate-specific crystalline sponge for structure solution using X-ray and electron diffraction.","Chemical Science","2025","","","","","10.1039/D5SC05651A","","x-ray","0.6889","synchrotron","","0.1616","0.1196","","","0.3228","0.3488","","","","","","1.079","","","","has coordinates,has disorder","303265","2025-11-11","23:20:56",""
"1576254","16.409","0.01","23.396","0.008","16.847","0.006","90","","118.78","0.06","90","","5669","6","175","5","175","5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H27.775 Cu6 O23.387 -","- C41 H27.775 Cu6 O23.3875 -","- C164 H111.1 Cu24 O93.55 -","4","1","","Main, Russell; Rainer, Daniel N.; Bauzá, Marta; Ettlinger, Romy; Kelly, Nicole L.; Coles, Simon; Ashbrook, Sharon Elizabeth; Morris, Russell","A flexible copper MOF as a carboxylate-specific crystalline sponge for structure solution using X-ray and electron diffraction.","Chemical Science","2025","","","","","10.1039/D5SC05651A","","electron","0.0251","electron","","0.3032","0.181","","","0.4196","0.4835","","","","","","1.2327","","","","has coordinates,has disorder","303265","2025-11-11","23:20:57",""
"1576255","18.907","0.003","19.2786","0.0015","40.468","0.002","90","","98.932","0.009","90","","14572","3","175","5","175","5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C123.926 H84.368 Cu18 O85.98 -","- C123.926 H84.3676 Cu18 O85.9801 -","- C495.705 H337.47 Cu72 O343.92 -","4","1","","Main, Russell; Rainer, Daniel N.; Bauzá, Marta; Ettlinger, Romy; Kelly, Nicole L.; Coles, Simon; Ashbrook, Sharon Elizabeth; Morris, Russell","A flexible copper MOF as a carboxylate-specific crystalline sponge for structure solution using X-ray and electron diffraction.","Chemical Science","2025","","","","","10.1039/D5SC05651A","","electron","0.0251","electron","","0.316","0.2282","","","0.4729","0.5275","","","","","","1.3107","","","","has coordinates,has disorder","303265","2025-11-11","23:20:57",""
"1576256","16.715","0.006","20.514","0.003","16.066","0.004","90","","118.48","0.04","90","","4842","3","175","5","175","5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23.333 Cu6 O27.667 -","- C30 H23.3333 Cu6 O27.6667 -","- C120 H93.3334 Cu24 O110.667 -","4","1","","Main, Russell; Rainer, Daniel N.; Bauzá, Marta; Ettlinger, Romy; Kelly, Nicole L.; Coles, Simon; Ashbrook, Sharon Elizabeth; Morris, Russell","A flexible copper MOF as a carboxylate-specific crystalline sponge for structure solution using X-ray and electron diffraction.","Chemical Science","2025","","","","","10.1039/D5SC05651A","","electron","0.0251","electron","","0.3063","0.2338","","","0.4855","0.5219","","","","","","1.476","","","","has coordinates,has disorder","303265","2025-11-11","23:20:57",""
"1576257","29.9535","0.0004","29.9535","0.0004","29.9535","0.0004","90","","90","","90","","26874.6","0.6","100","0.1","100","0.1","","","","","","","","6","I m -3 m","-I 4 2 3","229","","{PW9}2@{PW9}8","","- H56 K66 Na14 O462 P10 W90 -","- K52.0008 Na13.9992 O434.003 P10.0001 W90.0012 -","- K104.002 Na27.9984 O868.006 P20.0002 W180.002 -","2","0.0208333","","Zhu, Kai-Ling; Li, Ke; Feng, Liubin; Yang, Le; Chen, Jiajia","Real-Time Tracking of Molecular Cluster Assembly and Precise Hierarchical Reassembly into Pure POM Host-Guest Architecture","Chemical Science","2025","","","","","10.1039/D5SC07121F","","x-ray","0.71073","MoKα","","0.0674","0.0515","","","0.1627","0.1844","","","","","","1.147","","","","has coordinates,has disorder","303281","2025-11-12","23:17:15",""
"1576258","11.3572","0.001","13.1763","0.001","22.3783","0.0015","90","","103.751","0.003","90","","3252.8","0.4","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","DCM","","- C152 H164 Cl12 N8 -","- C152 H164 Cl12 N8 -","- C152 H164 Cl12 N8 -","1","0.25","","Hang, He; Wang, Xia; Wang, Zhaobin; Meng, Chi; Sun, Qihang; Yang, Ziyue; Feng, Fude","Activatable Self-Reporting Cyclization Reaction for In-Cell Synthesis of Cyclocyanines","Chemical Science","2025","","","","","10.1039/D5SC05408G","","","0.71073","MoKα","","0.1111","0.0565","","","0.1106","0.1346","","","","","","1.038","","","","has coordinates","303282","2025-11-12","23:17:35",""
"1576259","22.488","0.003","11.1001","0.0012","8.8428","0.0013","90","","99.154","0.007","90","","2179.2","0.5","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O3 -","- C28 H26 O3 -","- C112 H104 O12 -","4","1","","Zou, Bo; Chen, Xiaolin; Liu, Haoran; Wen, Sijie; Huang, Jieqing; Wei, Hengshan; Huang, Jinqing; Gu, Yu-Cheng; Xu, Bingjia; Fan, Jun; Jiang, Hua-Wei","Macrocyclic Geminal Diols: Synthesis, Structures, Stability and Photophysical Properties","Chemical Science","2025","","","","","10.1039/D5SC08216A","","","1.34139","GaKα","","0.0833","0.0487","","","0.1344","0.1482","","","","","","1.054","","","","has coordinates","303283","2025-11-12","23:18:49",""
"1576260","9.2334","0.0003","11.3728","0.0003","47.2982","0.0014","90","","91.977","0.002","90","","4963.8","0.3","298.15","","298.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ketal-2Me-[1,1][2]PCP","","","- C32 H32 O2 -","- C32 H32 O2 -","- C256 H256 O16 -","8","2","","Zou, Bo; Chen, Xiaolin; Liu, Haoran; Wen, Sijie; Huang, Jieqing; Wei, Hengshan; Huang, Jinqing; Gu, Yu-Cheng; Xu, Bingjia; Fan, Jun; Jiang, Hua-Wei","Macrocyclic Geminal Diols: Synthesis, Structures, Stability and Photophysical Properties","Chemical Science","2025","","","","","10.1039/D5SC08216A","","","0.71073","MoKα","","0.1315","0.065","","","0.1719","0.207","","","","","","1.069","","","","has coordinates","303283","2025-11-12","23:18:50",""
"1576261","9.6955","0.0008","12.4871","0.0009","15.6271","0.0011","90","","90.093","0.003","90","","1891.9","0.2","260","","260","","","","","","","","","3","P 1 21 1","P 2yb","4","2diols-[1,1][3]PCP","","","- C46 H44 O6 -","- C46 H44 O6 -","- C92 H88 O12 -","2","1","","Zou, Bo; Chen, Xiaolin; Liu, Haoran; Wen, Sijie; Huang, Jieqing; Wei, Hengshan; Huang, Jinqing; Gu, Yu-Cheng; Xu, Bingjia; Fan, Jun; Jiang, Hua-Wei","Macrocyclic Geminal Diols: Synthesis, Structures, Stability and Photophysical Properties","Chemical Science","2025","","","","","10.1039/D5SC08216A","","","1.34139","GaKα","","0.076","0.0653","","","0.1657","0.1771","","","","","","1.131","","","","has coordinates","303283","2025-11-12","23:18:50",""
"1576262","10.245","0.0007","14.4312","0.001","22.1091","0.0016","108.872","0.002","94.103","0.003","98.397","0.002","3035.2","0.4","298.15","","298.15","","","","","","","","","4","P -1","-P 1","2","2ketones-[1,1][4]PCP","","","- C154 H104 Cl8 O6 -","- C154 H104 Cl8 O6 -","- C154 H104 Cl8 O6 -","1","0.5","","Zou, Bo; Chen, Xiaolin; Liu, Haoran; Wen, Sijie; Huang, Jieqing; Wei, Hengshan; Huang, Jinqing; Gu, Yu-Cheng; Xu, Bingjia; Fan, Jun; Jiang, Hua-Wei","Macrocyclic Geminal Diols: Synthesis, Structures, Stability and Photophysical Properties","Chemical Science","2025","","","","","10.1039/D5SC08216A","","","0.71073","MoKα","","0.0805","0.0657","","","0.1974","0.2117","","","","","","1.057","","","","has coordinates,has disorder","303283","2025-11-12","23:18:50",""
"1576263","8.8569","0.0003","9.1083","0.0003","16.7941","0.0006","92.79","0.003","91.558","0.003","93.496","0.002","1350.06","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","2diols-[1,1][2]PCP","","","- C30 H32 O6 S2 -","- C30 H32 O6 S2 -","- C60 H64 O12 S4 -","2","1","","Zou, Bo; Chen, Xiaolin; Liu, Haoran; Wen, Sijie; Huang, Jieqing; Wei, Hengshan; Huang, Jinqing; Gu, Yu-Cheng; Xu, Bingjia; Fan, Jun; Jiang, Hua-Wei","Macrocyclic Geminal Diols: Synthesis, Structures, Stability and Photophysical Properties","Chemical Science","2025","","","","","10.1039/D5SC08216A","","x-ray","1.54178","CuKα","","0.0464","0.0416","","","0.111","0.1147","","","","","","1.071","","","","has coordinates","303283","2025-11-12","23:18:51",""
"1576264","11.3613","0.0003","9.1856","0.0003","18.8517","0.0005","90","","106.68","0.001","90","","1884.59","0.09","298.15","","298.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2ketals-[1,1][3]PCP","","","- C46 H44 O4 -","- C46 H44 O4 -","- C92 H88 O8 -","2","0.5","","Zou, Bo; Chen, Xiaolin; Liu, Haoran; Wen, Sijie; Huang, Jieqing; Wei, Hengshan; Huang, Jinqing; Gu, Yu-Cheng; Xu, Bingjia; Fan, Jun; Jiang, Hua-Wei","Macrocyclic Geminal Diols: Synthesis, Structures, Stability and Photophysical Properties","Chemical Science","2025","","","","","10.1039/D5SC08216A","","","0.71073","MoKα","","0.0514","0.0422","","","0.1136","0.1198","","","","","","1.09","","","","has coordinates","303283","2025-11-12","23:18:52",""
"1576265","25.4477","0.0016","11.3272","0.0007","9.7211","0.0006","90","","98.216","0.002","90","","2773.4","0.3","218","","218","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2ketals-[1,1][2]PCP","","","- C34 H36 O4 -","- C34 H36 O4 -","- C136 H144 O16 -","4","1","","Zou, Bo; Chen, Xiaolin; Liu, Haoran; Wen, Sijie; Huang, Jieqing; Wei, Hengshan; Huang, Jinqing; Gu, Yu-Cheng; Xu, Bingjia; Fan, Jun; Jiang, Hua-Wei","Macrocyclic Geminal Diols: Synthesis, Structures, Stability and Photophysical Properties","Chemical Science","2025","","","","","10.1039/D5SC08216A","","","0.71073","MoKα","","0.0577","0.0466","","","0.1224","0.1302","","","","","","1.044","","","","has coordinates","303283","2025-11-12","23:18:52",""
"1576266","15.7797","0.0004","11.4128","0.0003","12.1013","0.0002","90","","90","","90","","2179.33","0.09","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","2dbts-[1,1][2]PCP","","","- C30 H24 O4 -","- C30 H24 O4 -","- C120 H96 O16 -","4","1","","Zou, Bo; Chen, Xiaolin; Liu, Haoran; Wen, Sijie; Huang, Jieqing; Wei, Hengshan; Huang, Jinqing; Gu, Yu-Cheng; Xu, Bingjia; Fan, Jun; Jiang, Hua-Wei","Macrocyclic Geminal Diols: Synthesis, Structures, Stability and Photophysical Properties","Chemical Science","2025","","","","","10.1039/D5SC08216A","","","0.71073","MoKα","","0.042","0.0372","","","0.0944","0.099","","","","","","1.044","","","","has coordinates","303283","2025-11-12","23:18:52",""
"1576267","12.0868","0.0005","23.5414","0.0009","8.7707","0.0003","90","","99.206","0.001","90","","2463.47","0.16","163","","163","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2ketals-[1,1][4]PCP","","","- C64 H66 O4 -","- C64 H66 O4 -","- C128 H132 O8 -","2","0.5","","Zou, Bo; Chen, Xiaolin; Liu, Haoran; Wen, Sijie; Huang, Jieqing; Wei, Hengshan; Huang, Jinqing; Gu, Yu-Cheng; Xu, Bingjia; Fan, Jun; Jiang, Hua-Wei","Macrocyclic Geminal Diols: Synthesis, Structures, Stability and Photophysical Properties","Chemical Science","2025","","","","","10.1039/D5SC08216A","","","1.34139","GaKα","","0.0671","0.0615","","","0.1683","0.1736","","","","","","1.03","","","","has coordinates","303283","2025-11-12","23:18:52",""
"1576268","11.6622","0.0002","20.3909","0.0004","21.3006","0.0003","90","","103.726","0.001","90","","4920.68","0.15","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Al B F36 O4 P2 -","- C32 H36 Al B F36 O4 P2 -","- C128 H144 Al4 B4 F144 O16 P8 -","4","1","","Ordyszewska-Lach, Anna; Cieplińska, Kinga; Anusiewicz, Iwona; Chojnacki, Jarosław; Kaniewska-Laskowska, Kinga; Grubba, Rafał","A crystalline phosphorus-substituted borinium ion: double dihydrogen activation by an ambiphilic inorganic allene","Chemical Science","2025","","","","","10.1039/D5SC07702H","","","0.71073","MoKα","","0.0893","0.0581","","","0.1502","0.1735","","","","","","1.029","","","","has coordinates,has disorder","303357","2025-11-25","10:58:47",""
"1576269","16.578","0.002","16.838","0.002","20.642","0.003","105.275","0.01","107.625","0.01","103.339","0.01","4986.3","1.3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H38.5 Al B F36 O4 P2 -","- C32 H38.5 Al B F36 O4 P2 -","- C128 H154 Al4 B4 F144 O16 P8 -","4","2","","Ordyszewska-Lach, Anna; Cieplińska, Kinga; Anusiewicz, Iwona; Chojnacki, Jarosław; Kaniewska-Laskowska, Kinga; Grubba, Rafał","A crystalline phosphorus-substituted borinium ion: double dihydrogen activation by an ambiphilic inorganic allene","Chemical Science","2025","","","","","10.1039/D5SC07702H","","","0.71073","MoKα","","0.1517","0.0996","","","0.2616","0.3137","","","","","","1.022","","","","has coordinates,has disorder","303357","2025-11-25","10:58:49",""
"1576270","20.238","0.002","20.36","0.002","20.16","0.002","96.311","0.009","117.899","0.008","117.537","0.008","5918.7","1.6","120","","120","","","","","","","","","9","P -1","-P 1","2","","","","- C40 H50 Al B Cl2 F36 N2 O4 P2 -","- C40 H50 Al B Cl2 F36 N2 O4 P2 -","- C160 H200 Al4 B4 Cl8 F144 N8 O16 P8 -","4","2","","Ordyszewska-Lach, Anna; Cieplińska, Kinga; Anusiewicz, Iwona; Chojnacki, Jarosław; Kaniewska-Laskowska, Kinga; Grubba, Rafał","A crystalline phosphorus-substituted borinium ion: double dihydrogen activation by an ambiphilic inorganic allene","Chemical Science","2025","","","","","10.1039/D5SC07702H","","","0.71073","MoKα","","0.1625","0.0957","","","0.2069","0.2543","","","","","","1.047","","","","has coordinates,has disorder","303357","2025-11-25","10:58:49",""
"1576271","15.9121","0.0013","15.9121","0.0013","20.735","0.002","90","","90","","120","","4546.6","0.7","120","","120","","","","","","","","","8","P 31","P 31","144","","","","- C43 H56 Al B F36 N2 O4 P2 -","- C43 H56 Al B F36 N2 O4 P2 -","- C129 H168 Al3 B3 F108 N6 O12 P6 -","3","1","","Ordyszewska-Lach, Anna; Cieplińska, Kinga; Anusiewicz, Iwona; Chojnacki, Jarosław; Kaniewska-Laskowska, Kinga; Grubba, Rafał","A crystalline phosphorus-substituted borinium ion: double dihydrogen activation by an ambiphilic inorganic allene","Chemical Science","2025","","","","","10.1039/D5SC07702H","","","1.54186","CuKα","","0.128","0.0834","","","0.1751","0.2078","","","","","","1.068","","","","has coordinates,has disorder","303357","2025-11-25","10:58:50",""
"1576272","11.0467","0.0002","11.826","0.0002","12.9432","0.0002","80.055","0.002","76.924","0.002","82.858","0.002","1615.87","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H34 N6 O5 -","- C37 H34 N6 O5 -","- C74 H68 N12 O10 -","2","1","","Jiang, Yi-Fan Shuo; Zhang, Yue; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently Chiral Homo-Heteracalixarenes: Design and Synthesis via Enantioselective Intramolecular Sonogashira Cross-coupling Reaction","Chemical Science","2025","","","","","10.1039/D5SC05923B","","","1.54184","CuKα","","0.0531","0.0448","","","0.1067","0.1113","","","","","","1.047","","","","has coordinates","303358","2025-11-25","11:01:03",""
"1576273","9.467","0.0001","10.4107","0.0001","35.2094","0.0004","90","","90","","90","","3470.17","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H43 N7 O -","- C40 H43 N7 O -","- C160 H172 N28 O4 -","4","1","","Jiang, Yi-Fan Shuo; Zhang, Yue; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently Chiral Homo-Heteracalixarenes: Design and Synthesis via Enantioselective Intramolecular Sonogashira Cross-coupling Reaction","Chemical Science","2025","","","","","10.1039/D5SC05923B","","","1.54184","CuKα","","0.0503","0.0439","","","0.1055","0.1075","","","","","","1.074","","","","has coordinates","303358","2025-11-25","11:01:04",""
"1576274","10.7047","0.0002","13.5587","0.0002","20.6357","0.0004","94.975","0.002","91.129","0.002","111.187","0.002","2777.93","0.09","172.99","0.1","172.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 N7 O -","- C68 H63 N7 O -","- C136 H126 N14 O2 -","2","1","","Jiang, Yi-Fan Shuo; Zhang, Yue; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently Chiral Homo-Heteracalixarenes: Design and Synthesis via Enantioselective Intramolecular Sonogashira Cross-coupling Reaction","Chemical Science","2025","","","","","10.1039/D5SC05923B","","x-ray","1.54184","CuKα","","0.0677","0.0545","","","0.1322","0.1382","","","","","","1.081","","","","has coordinates","303358","2025-11-25","11:01:05",""
"1576275","16.1006","0.0003","17.7313","0.0002","19.5691","0.0003","86.873","0.001","85.482","0.001","65.721","0.001","5075.22","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H60 Cl N9 O -","- C54 H53 N9 O -","- C216 H212 N36 O4 -","4","2","","Jiang, Yi-Fan Shuo; Zhang, Yue; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently Chiral Homo-Heteracalixarenes: Design and Synthesis via Enantioselective Intramolecular Sonogashira Cross-coupling Reaction","Chemical Science","2025","","","","","10.1039/D5SC05923B","","","1.54184","CuKα","","0.0726","0.0614","","","0.1786","0.1904","","","","","","1.015","","","","has coordinates","303358","2025-11-25","11:01:05",""
"1576276","7.96977","0.00005","21.66155","0.00014","25.66659","0.00015","90","","90.1044","0.0006","90","","4431.01","0.05","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H53 N7 O -","- C52 H53 N7 O -","- C208 H212 N28 O4 -","4","1","","Jiang, Yi-Fan Shuo; Zhang, Yue; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently Chiral Homo-Heteracalixarenes: Design and Synthesis via Enantioselective Intramolecular Sonogashira Cross-coupling Reaction","Chemical Science","2025","","","","","10.1039/D5SC05923B","","x-ray","1.54184","CuKα","","0.0432","0.0399","","","0.0889","0.0905","","","","","","1.068","","","","has coordinates","303358","2025-11-25","11:01:05",""
"1576277","9.1541","0.0017","20.08","0.004","9.5315","0.0017","90","","108.338","0.012","90","","1663.1","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2Fcat-ter","","- C24 H14 F2 O2 -","- C24 H14 F2 O2 -","- C96 H56 F8 O8 -","4","1","","Kamin, Ashlyn A.; Schuster, Nathaniel J.; Xie, Haomiao; Le, Phuong H.; Snook, Kathleen M.; Krajewski, Sebastian; Kaminsky, Werner; Farha, Omar K.; Jasti, Ramesh; Xiao, Dianne J.","Permanently porous cycloparaphenylene nanohoops <i>via</i> supramolecular engineering.","Chemical science","2025","","","","","10.1039/d5sc07685d","","x-ray","0.71073","MoKα","","0.0886","0.0578","","","0.1531","0.1776","","","","","","1.035","","","","has coordinates","303359","2025-11-25","11:03:25",""
"1576278","17.809","0.001","12.7959","0.0007","20.4515","0.0011","90","","96.783","0.003","90","","4627.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8MeO-12CPP","","- C110 H118 N6 O14 -","- C110 H118 N6 O14 -","- C220 H236 N12 O28 -","2","0.5","","Kamin, Ashlyn A.; Schuster, Nathaniel J.; Xie, Haomiao; Le, Phuong H.; Snook, Kathleen M.; Krajewski, Sebastian; Kaminsky, Werner; Farha, Omar K.; Jasti, Ramesh; Xiao, Dianne J.","Permanently porous cycloparaphenylene nanohoops <i>via</i> supramolecular engineering.","Chemical science","2025","","","","","10.1039/d5sc07685d","","x-ray","0.71073","MoKα","","0.1022","0.0752","","","0.2176","0.2469","","","","","","1.044","","","","has coordinates,has disorder","303359","2025-11-25","11:03:37",""
"1576279","26.127","0.015","28.401","0.016","5.941","0.004","90","","90","","90","","4408","5","100","2","100","2","","","","","","","","4","P m m n :1","P 2 2ab -1ab","59","","4F2cat-12CPP","","- C84 H48 F4 O4 -","- C84 H48 F4 O4 -","- C168 H96 F8 O8 -","2","0.25","","Kamin, Ashlyn A.; Schuster, Nathaniel J.; Xie, Haomiao; Le, Phuong H.; Snook, Kathleen M.; Krajewski, Sebastian; Kaminsky, Werner; Farha, Omar K.; Jasti, Ramesh; Xiao, Dianne J.","Permanently porous cycloparaphenylene nanohoops <i>via</i> supramolecular engineering.","Chemical science","2025","","","","","10.1039/d5sc07685d","","x-ray","0.71073","MoKα","","0.2135","0.1123","","","0.2852","0.3242","","","","","","0.909","","","","has coordinates","303359","2025-11-25","11:03:40",""
"1576280","11.465","0.003","3.9003","0.0009","22.392","0.005","90","","92.086","0.017","90","","1000.6","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2cat-ter","","- C30 H18 O4 -","- C30 H18 O4 -","- C60 H36 O8 -","2","0.5","","Kamin, Ashlyn A.; Schuster, Nathaniel J.; Xie, Haomiao; Le, Phuong H.; Snook, Kathleen M.; Krajewski, Sebastian; Kaminsky, Werner; Farha, Omar K.; Jasti, Ramesh; Xiao, Dianne J.","Permanently porous cycloparaphenylene nanohoops <i>via</i> supramolecular engineering.","Chemical science","2025","","","","","10.1039/d5sc07685d","","x-ray","0.71073","MoKα","","0.0989","0.0517","","","0.1275","0.1516","","","","","","1.027","","","","has coordinates","303359","2025-11-25","11:03:42",""
"1576281","18.05","0.004","19.386","0.004","19.485","0.005","114.13","0.017","90.421","0.017","95.967","0.016","6179","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4BrB-12CPP","","- C72 H40 B4 Br4 O8 -","- C72 H40 B4 Br4 O8 -","- C144 H80 B8 Br8 O16 -","2","1","","Kamin, Ashlyn A.; Schuster, Nathaniel J.; Xie, Haomiao; Le, Phuong H.; Snook, Kathleen M.; Krajewski, Sebastian; Kaminsky, Werner; Farha, Omar K.; Jasti, Ramesh; Xiao, Dianne J.","Permanently porous cycloparaphenylene nanohoops <i>via</i> supramolecular engineering.","Chemical science","2025","","","","","10.1039/d5sc07685d","","x-ray","0.71073","MoKα","","0.2325","0.0953","","","0.2261","0.3041","","","","","","0.897","","","","has coordinates","303359","2025-11-25","11:03:44",""
"1576282","3.8913","0.001","9.754","0.003","21.717","0.006","90","","92.45","0.017","90","","823.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2BrB-ter","","- C18 H10 B2 Br2 O4 -","- C18 H10 B2 Br2 O4 -","- C36 H20 B4 Br4 O8 -","2","0.5","","Kamin, Ashlyn A.; Schuster, Nathaniel J.; Xie, Haomiao; Le, Phuong H.; Snook, Kathleen M.; Krajewski, Sebastian; Kaminsky, Werner; Farha, Omar K.; Jasti, Ramesh; Xiao, Dianne J.","Permanently porous cycloparaphenylene nanohoops <i>via</i> supramolecular engineering.","Chemical science","2025","","","","","10.1039/d5sc07685d","","x-ray","0.71073","MoKα","","0.1783","0.0952","","","0.2173","0.2661","","","","","","0.985","","","","has coordinates","303359","2025-11-25","11:03:45",""
"1576283","24.996","0.003","6.147","0.0007","22.464","0.003","90","","90","","90","","3451.6","0.7","100","2","100","2","","","","","","","","4","P n n m","-P 2 2n","58","","4F2cat-10CPP","","- C72 H40 F4 O4 -","- C72 H40 F4 O4 -","- C144 H80 F8 O8 -","2","0.25","","Kamin, Ashlyn A.; Schuster, Nathaniel J.; Xie, Haomiao; Le, Phuong H.; Snook, Kathleen M.; Krajewski, Sebastian; Kaminsky, Werner; Farha, Omar K.; Jasti, Ramesh; Xiao, Dianne J.","Permanently porous cycloparaphenylene nanohoops <i>via</i> supramolecular engineering.","Chemical science","2025","","","","","10.1039/d5sc07685d","","x-ray","0.71073","MoKα","","0.1442","0.0881","","","0.2573","0.2984","","","","","","1.051","","","","has coordinates,has disorder","303359","2025-11-25","11:03:57",""
"1576284","16.6117","0.0012","6.2942","0.0007","34.054","0.004","90","","93.239","0.009","90","","3554.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4F2MeOcat-10CPP","","- C74 H44 F4 O6 -","- C74 H44 F4 O6 -","- C148 H88 F8 O12 -","2","0.5","","Kamin, Ashlyn A.; Schuster, Nathaniel J.; Xie, Haomiao; Le, Phuong H.; Snook, Kathleen M.; Krajewski, Sebastian; Kaminsky, Werner; Farha, Omar K.; Jasti, Ramesh; Xiao, Dianne J.","Permanently porous cycloparaphenylene nanohoops <i>via</i> supramolecular engineering.","Chemical science","2025","","","","","10.1039/d5sc07685d","","electron","0.0251","electron","","0.2252","0.1769","","","0.4212","0.463","","","","","","1.219","","","","has coordinates,has disorder","303359","2025-11-25","11:03:58",""
"1576285","11.6317","0.0013","15.0772","0.0016","19.106","0.002","90","","98.988","0.006","90","","3309.5","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8MeO-10CPP","","- C68 H56 O8 -","- C68 H56 O8 -","- C136 H112 O16 -","2","0.5","","Kamin, Ashlyn A.; Schuster, Nathaniel J.; Xie, Haomiao; Le, Phuong H.; Snook, Kathleen M.; Krajewski, Sebastian; Kaminsky, Werner; Farha, Omar K.; Jasti, Ramesh; Xiao, Dianne J.","Permanently porous cycloparaphenylene nanohoops <i>via</i> supramolecular engineering.","Chemical science","2025","","","","","10.1039/d5sc07685d","","x-ray","0.71073","MoKα","","0.0711","0.0488","","","0.1274","0.1381","","","","","","1.061","","","","has coordinates","303359","2025-11-25","11:04:00",""
"1576286","6.0736","0.0004","37.926","0.003","46.212","0.01","90","","90.106","0.011","90","","10645","3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6F3cat-12CPP","","- C90 H48 F6 O6 -","- C90 H48 F6 O6 -","- C360 H192 F24 O24 -","4","1","","Kamin, Ashlyn A.; Schuster, Nathaniel J.; Xie, Haomiao; Le, Phuong H.; Snook, Kathleen M.; Krajewski, Sebastian; Kaminsky, Werner; Farha, Omar K.; Jasti, Ramesh; Xiao, Dianne J.","Permanently porous cycloparaphenylene nanohoops <i>via</i> supramolecular engineering.","Chemical science","2025","","","","","10.1039/d5sc07685d","","electron","0.0251","electron","","0.2052","0.1391","","","0.3623","0.4091","","","","","","1.1","","","","has coordinates","303359","2025-11-25","11:04:00",""
"1576287","9.2433","0.0005","11.6116","0.0007","13.7296","0.0008","72.825","0.002","80.564","0.002","69.791","0.002","1318.05","0.13","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H34 N O -","- C34 H34 N O -","- C68 H68 N2 O2 -","2","1","","Jin, Jiarong; Li, Xin; Luo, Yicheng; Chen, Jian-Fu; Tang, Wenjun; Du, Kang","Acyl-oxyallenes as α, β-Unsaturated Ketone Surrogates for Giese Radical Addition","Chemical Science","2025","","","","","10.1039/D5SC08002A","","x-ray","0.71073","MoKα","","0.1303","0.0653","","","0.144","0.1777","","","","","","1.028","","","","has coordinates,has disorder","303360","2025-11-25","11:04:59",""
"1576288","6.629","0.003","7.416","0.003","9.919","0.005","90","","92.097","0.008","90","","487.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Bi K P2 S6 -","- Bi K P2 S6 -","- Bi2 K2 P4 S12 -","2","1","","Zhang, Jia-Xiang; Xu, A-Lan; Chi, Yang; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long","Maximizing the second-harmonic generation response via coordination-induced localization of nonbonding electrons","Chemical Science","2025","","","","","10.1039/D5SC06905J","","","0.71073","MoKα","","0.0391","0.0373","","","0.0863","0.0872","","","","","","1.092","","","","has coordinates","303361","2025-11-25","11:05:42",""
"1576289","9.3639","0.0003","5.0884","0.0001","11.5646","0.0003","90","","96.3","0.003","90","","547.69","0.03","100.01","0.16","100.01","0.16","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C24 H26 N6 O2 -","2","1","","Huang, Guo-Quan; Yang, Hu; Xia, Ri-Qin; Wu, Kun; Huang, Yong-Liang; Hao, De-Bo; Li, Shun-Bo; Lu, Weigang; Zheng, Ji; Zhou, Xiao-Ping; Li, Dan","Triple-Helical Aggregates of Copper(I) Cyclic Trinuclear Complexes for Circularly Polarized Luminescence","Chemical Science","2025","","","","","10.1039/D5SC04965B","","x-ray","1.54184","CuKα","","0.0407","0.0356","","","0.0985","0.1011","","","","","","1.145","","","","has coordinates","303362","2025-11-25","11:06:26",""
"1576290","9.098","0.0001","19.5551","0.0003","33.1683","0.0005","90","","97.666","0.001","90","","5848.31","0.14","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C112 H119 Cu9 N27 O11 -","- C112 H119 Cu9 N27 O11 -","- C224 H238 Cu18 N54 O22 -","2","1","","Huang, Guo-Quan; Yang, Hu; Xia, Ri-Qin; Wu, Kun; Huang, Yong-Liang; Hao, De-Bo; Li, Shun-Bo; Lu, Weigang; Zheng, Ji; Zhou, Xiao-Ping; Li, Dan","Triple-Helical Aggregates of Copper(I) Cyclic Trinuclear Complexes for Circularly Polarized Luminescence","Chemical Science","2025","","","","","10.1039/D5SC04965B","","x-ray","1.54184","CuKα","","0.0924","0.0845","","","0.1946","0.2024","","","","","","1.039","","","","has coordinates","303362","2025-11-25","11:06:27",""
"1576291","5.02106","0.0001","10.7938","0.0002","24.2999","0.0006","90","","90","","90","","1316.97","0.05","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","","Huang, Guo-Quan; Yang, Hu; Xia, Ri-Qin; Wu, Kun; Huang, Yong-Liang; Hao, De-Bo; Li, Shun-Bo; Lu, Weigang; Zheng, Ji; Zhou, Xiao-Ping; Li, Dan","Triple-Helical Aggregates of Copper(I) Cyclic Trinuclear Complexes for Circularly Polarized Luminescence","Chemical Science","2025","","","","","10.1039/D5SC04965B","","x-ray","1.54184","CuKα","","0.0655","0.0585","","","0.1634","0.1668","","","","","","1.102","","","","has coordinates","303362","2025-11-25","11:06:27",""
"1576292","5.0256","0.0001","10.7811","0.0004","24.3162","0.0007","90","","90","","90","","1317.49","0.07","99.98","0.1","99.98","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","","Huang, Guo-Quan; Yang, Hu; Xia, Ri-Qin; Wu, Kun; Huang, Yong-Liang; Hao, De-Bo; Li, Shun-Bo; Lu, Weigang; Zheng, Ji; Zhou, Xiao-Ping; Li, Dan","Triple-Helical Aggregates of Copper(I) Cyclic Trinuclear Complexes for Circularly Polarized Luminescence","Chemical Science","2025","","","","","10.1039/D5SC04965B","","x-ray","1.54184","CuKα","","0.0566","0.0486","","","0.135","0.141","","","","","","1.064","","","","has coordinates","303362","2025-11-25","11:06:27",""
"1576293","9.3663","0.0002","5.0892","0.0001","11.5614","0.0002","90","","96.305","0.001","90","","547.764","0.019","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C24 H26 N6 O2 -","2","1","","Huang, Guo-Quan; Yang, Hu; Xia, Ri-Qin; Wu, Kun; Huang, Yong-Liang; Hao, De-Bo; Li, Shun-Bo; Lu, Weigang; Zheng, Ji; Zhou, Xiao-Ping; Li, Dan","Triple-Helical Aggregates of Copper(I) Cyclic Trinuclear Complexes for Circularly Polarized Luminescence","Chemical Science","2025","","","","","10.1039/D5SC04965B","","x-ray","1.54184","CuKα","","0.0473","0.0427","","","0.093","0.0943","","","","","","1.112","","","","has coordinates","303362","2025-11-25","11:06:27",""
"1576294","9.0903","0.0002","19.543","0.0004","33.1835","0.0009","90","","97.787","0.002","90","","5840.7","0.2","100.1","0.4","100.1","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C112 H120 Cu9 N27 O11 -","- C112 H120 Cu9 N27 O11 -","- C224 H240 Cu18 N54 O22 -","2","1","","Huang, Guo-Quan; Yang, Hu; Xia, Ri-Qin; Wu, Kun; Huang, Yong-Liang; Hao, De-Bo; Li, Shun-Bo; Lu, Weigang; Zheng, Ji; Zhou, Xiao-Ping; Li, Dan","Triple-Helical Aggregates of Copper(I) Cyclic Trinuclear Complexes for Circularly Polarized Luminescence","Chemical Science","2025","","","","","10.1039/D5SC04965B","","x-ray","1.54184","CuKα","","0.1203","0.1093","","","0.2766","0.2828","","","","","","1.041","","","","has coordinates,has disorder","303362","2025-11-25","11:06:27",""
"1576295","9.785","0.005","14.948","0.008","21.55","0.012","93.883","0.016","92.472","0.013","94.445","0.013","3132","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H22 F3 N3 S -","- C37 H22 F3 N3 S -","- C148 H88 F12 N12 S4 -","4","2","","Prabhu, Pavithra V.; Darshan, Vibhu; Divya, Indira S.; Banerjee, Moumita; Varughese, Sunil; Anoop, Anakuthil; Narayanan Unni, K. N.; Joseph, Joshy","Phenothiazine-Based TADF Emitters with Dual Conformations for Single-Molecule White OLEDs","Chemical Science","2025","","","","","10.1039/D5SC04370K","","","0.71073","MoKα","","0.1824","0.1208","","","0.2921","0.3413","","","","","","1.125","","","","has coordinates","303363","2025-11-25","11:07:24",""
"1576296","15.5229","0.0008","10.945","0.0005","15.8869","0.0008","90","","100.269","0.002","90","","2655.9","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H23 N3 S -","- C36 H23 N3 S -","- C144 H92 N12 S4 -","4","1","","Prabhu, Pavithra V.; Darshan, Vibhu; Divya, Indira S.; Banerjee, Moumita; Varughese, Sunil; Anoop, Anakuthil; Narayanan Unni, K. N.; Joseph, Joshy","Phenothiazine-Based TADF Emitters with Dual Conformations for Single-Molecule White OLEDs","Chemical Science","2025","","","","","10.1039/D5SC04370K","","","0.71073","MoKα","","0.0808","0.0595","","","0.1417","0.1557","","","","","","1.115","","","","has coordinates","303363","2025-11-25","11:07:28",""
"1576297","9.951","0.003","15.168","0.004","20.652","0.006","96.853","0.009","102.191","0.008","104.278","0.008","2904","1.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H23 N3 S -","- C36 H23 N3 S -","- C144 H92 N12 S4 -","4","2","","Prabhu, Pavithra V.; Darshan, Vibhu; Divya, Indira S.; Banerjee, Moumita; Varughese, Sunil; Anoop, Anakuthil; Narayanan Unni, K. N.; Joseph, Joshy","Phenothiazine-Based TADF Emitters with Dual Conformations for Single-Molecule White OLEDs","Chemical Science","2025","","","","","10.1039/D5SC04370K","","","0.71073","MoKα","","0.1401","0.1093","","","0.2661","0.2876","","","","","","1.143","","","","has coordinates","303363","2025-11-25","11:07:28",""
"1576298","9.8038","0.0017","10.547","0.0018","14.691","0.002","100.526","0.006","106.29","0.006","104.294","0.006","1360.1","0.4","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H31 N O4 S2 -","- C29 H31 N O4 S2 -","- C58 H62 N2 O8 S4 -","2","1","","Verma, Saumya; Sethi, Manoj; Sahoo, Akhila K.","Regio-reversed alkenyl-arylation of ynamides <i>via</i> 1,3-olefin shift.","Chemical science","2025","","","","","10.1039/d5sc07853a","","","0.71073","MoKα","","0.0577","0.05","","","0.144","0.1489","","","","","","1.074","","","","has coordinates,has disorder","303364","2025-11-25","11:08:01",""
"1576299","16.356","0.002","9.5997","0.0012","22.018","0.003","90","","90.001","0.006","90","","3457.1","0.8","297","2","297","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 N2 O2 S -","- C40 H40 N2 O2 S -","- C160 H160 N8 O8 S4 -","4","1","","Verma, Saumya; Sethi, Manoj; Sahoo, Akhila K.","Regio-reversed alkenyl-arylation of ynamides <i>via</i> 1,3-olefin shift.","Chemical science","2025","","","","","10.1039/d5sc07853a","","","0.71073","MoKα","","0.1488","0.0942","","","0.2678","0.3072","","","","","","1.068","","","","has coordinates","303364","2025-11-25","11:08:02",""
"1576300","11.9637","0.0006","13.5417","0.0007","15.7213","0.0008","67.894","0.001","88.453","0.001","88.57","0.001","2358.6","0.2","101","2","101","","","","","","","","","5","P -1","-P 1","2","","U(IV)ExPh","","- C57 H56 N8 O6.5 U -","- C47 H36 N8 O4 U -","- C94 H72 N16 O8 U2 -","2","1","","Juarez, Gabriel J.; Mason, Harris E.; Mangel, Daniel N.; Tondreau, Aaron M.; Sessler, Jonathan L.","Multiple oxidation states of uranium stabilized by an O,N,O-ligand","Chemical Science","2025","","","","","10.1039/D5SC04158A","","","0.71073","MoKα","","0.0379","0.0297","","","0.0687","0.0726","","","","","","1.081","","","","has coordinates","303366","2025-11-25","11:08:41",""
"1576301","16.442","0.0006","17.7005","0.0006","26.7887","0.0009","90","","91.544","0.001","90","","7793.5","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H73 N11 O13 U3 -","- C72 H73 N11 O13 U3 -","- C288 H292 N44 O52 U12 -","4","1","","Juarez, Gabriel J.; Mason, Harris E.; Mangel, Daniel N.; Tondreau, Aaron M.; Sessler, Jonathan L.","Multiple oxidation states of uranium stabilized by an O,N,O-ligand","Chemical Science","2025","","","","","10.1039/D5SC04158A","","","0.71073","MoKα","","0.0987","0.0525","","","0.1027","0.1149","","","","","","1.023","","","","has coordinates","303366","2025-11-25","11:08:44",""
"1576302","11.5108","0.0002","13.8768","0.0002","31.3332","0.0004","90","","98.329","0.001","90","","4952.16","0.13","99.8","0.8","99.8","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H62 B10 O P2 -","- C53 H62 B10 O P2 -","- C212 H248 B40 O4 P8 -","4","1","","Jakubowski, Rafał; Ogunmola, Kehinde; Hietsoi, Oleksandr; Friedli, Andrienne C.; Shaughnessy, Kevin H.; Kaszyński, Piotr","Raising the HOMO level of the [closo-B10H10]2− anion: apical alkyl derivatives for modern materials","Chemical Science","2025","","","","","10.1039/D5SC08516K","","x-ray","1.54184","CuKα","","0.0638","0.0583","","","0.1639","0.1682","","","","","","1.044","","","","has coordinates,has disorder","303367","2025-11-25","11:09:15",""
"1576303","10.6197","0.0001","11.5274","0.0001","21.5302","0.0003","92.646","0.001","92.854","0.001","101.757","0.001","2572.9","0.05","99.9","0.8","99.9","0.8","","","","","","","","4","P -1","-P 1","2","","","","- C56 H66 B10 P2 -","- C56 H66 B10 P2 -","- C112 H132 B20 P4 -","2","1","","Jakubowski, Rafał; Ogunmola, Kehinde; Hietsoi, Oleksandr; Friedli, Andrienne C.; Shaughnessy, Kevin H.; Kaszyński, Piotr","Raising the HOMO level of the [closo-B10H10]2− anion: apical alkyl derivatives for modern materials","Chemical Science","2025","","","","","10.1039/D5SC08516K","","x-ray","1.54184","CuKα","","0.0442","0.0419","","","0.1177","0.1198","","","","","","1.046","","","","has coordinates,has disorder","303367","2025-11-25","11:09:19",""
"1576304","10.1428","0.0008","16.2302","0.0014","8.0944","0.0005","90","","94.123","0.007","90","","1329.05","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H12 I3 N O Pb -","- C5 H12 I3 N O Pb -","- C20 H48 I12 N4 O4 Pb4 -","4","1","","Yang, Ya-Wen; Xu, Ke; Zhou, Zi-Ning; Jin, Ming-Liang; Tsunashima, Ryo; Nakamura, Takayoshi; Chai, Chao-Yang; Ye, Qiong","Organic cation conformational flexibility governs mechanical response in organic-inorganic hybrid materials.","Chemical science","2025","","","","","10.1039/d5sc06333g","","","0.71073","MoKα","","0.0684","0.0558","","","0.1483","0.1549","","","","","","1.083","","","","has coordinates","303368","2025-11-25","11:10:09",""
"1576305","8.2468","0.0006","8.8197","0.0008","20.448","0.002","90","","90","","90","","1487.3","0.2","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H28 I6 N2 O2 Pb2 -","- C12 H28 I6 N2 O2 Pb2 -","- C24 H56 I12 N4 O4 Pb4 -","2","0.25","","Yang, Ya-Wen; Xu, Ke; Zhou, Zi-Ning; Jin, Ming-Liang; Tsunashima, Ryo; Nakamura, Takayoshi; Chai, Chao-Yang; Ye, Qiong","Organic cation conformational flexibility governs mechanical response in organic-inorganic hybrid materials.","Chemical science","2025","","","","","10.1039/d5sc06333g","","x-ray","0.71073","MoKα","","0.0849","0.0476","","","0.1126","0.1303","","","","","","1.022","","","","has coordinates,has disorder","303368","2025-11-25","11:10:10",""
"1576306","9.904","0.003","9.904","0.003","8.06","0.003","90","","90","","120","","684.7","0.4","393","0.1","393","0.1","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C5 H12 I3 N O Pb -","- C4.998 H11.9952 I3 N0.9996 O0.9996 Pb -","- C9.996 H23.9904 I6 N1.9992 O1.9992 Pb2 -","2","0.0833333","","Yang, Ya-Wen; Xu, Ke; Zhou, Zi-Ning; Jin, Ming-Liang; Tsunashima, Ryo; Nakamura, Takayoshi; Chai, Chao-Yang; Ye, Qiong","Organic cation conformational flexibility governs mechanical response in organic-inorganic hybrid materials.","Chemical science","2025","","","","","10.1039/d5sc06333g","","x-ray","0.71073","MoKα","","0.1575","0.0848","","","0.1988","0.2551","","","","","","1.143","","","","has coordinates,has disorder","303368","2025-11-25","11:10:10",""
"1576307","10.281","0.004","10.281","0.004","8.133","0.002","90","","90","","120","","744.5","0.4","440","0.1","440","0.1","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C6 H14 I3 N O Pb -","- C5.9976 H13.9944 I3 N0.9996 O0.9996 Pb -","- C11.9952 H27.9888 I6 N1.9992 O1.9992 Pb2 -","2","0.0833333","","Yang, Ya-Wen; Xu, Ke; Zhou, Zi-Ning; Jin, Ming-Liang; Tsunashima, Ryo; Nakamura, Takayoshi; Chai, Chao-Yang; Ye, Qiong","Organic cation conformational flexibility governs mechanical response in organic-inorganic hybrid materials.","Chemical science","2025","","","","","10.1039/d5sc06333g","","x-ray","1.54184","CuKα","","0.1499","0.0978","","","0.2776","0.3689","","","","","","1.128","","","","has coordinates,has disorder","303368","2025-11-25","11:10:10",""
"1576308","16.161","0.004","10.122","0.003","17.127","0.005","90","","92.691","0.009","90","","2798.6","1.4","98","","98","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Yang, Xinqi; Dai, Yuxiang; Zhang, Xiaoxiang; Yang, Daojie; Guo, Ru; Yan, Haile; Zhang, Lili; Wang, Kai; Liu, Haichao; Yang, Bing","Pressure-Induced Emission Enhancement through a Synergistic Effect between Suppression of Excimer Formation and Activation of Aggregation-Induced Emission","Chemical Science","2025","","","","","10.1039/D5SC07579C","","","0.71073","MoKα","","0.1368","0.0736","","","0.1898","0.2662","","","","","","1.116","","","","has coordinates","303369","2025-11-25","11:10:45",""
"1576309","16.173","0.003","10.0722","0.0013","18.069","0.003","90","","109.761","0.005","90","","2770.1","0.8","296","2","296","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Yang, Xinqi; Dai, Yuxiang; Zhang, Xiaoxiang; Yang, Daojie; Guo, Ru; Yan, Haile; Zhang, Lili; Wang, Kai; Liu, Haichao; Yang, Bing","Pressure-Induced Emission Enhancement through a Synergistic Effect between Suppression of Excimer Formation and Activation of Aggregation-Induced Emission","Chemical Science","2025","","","","","10.1039/D5SC07579C","","","0.71073","MoKα","","0.1144","0.0579","","","0.1346","0.1796","","","","","","1.042","","","","has coordinates","303369","2025-11-25","11:10:47",""
"1576310","12.2626","0.0005","9.5598","0.0003","11.2744","0.0004","90","","100.372","0.007","90","","1300.08","0.09","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 F5 N O S -","- C12 H10 F5 N O S -","- C48 H40 F20 N4 O4 S4 -","4","1","","Nagababu, Chavakula; Muramatsu, Takuya; Bacho, Muhamad Zulfaqar; Wu, Shiwei; Ochiai, Seishu; Escorihuela, Jorge; Shibata, Norio","High-valent sulfur fluorides as reactivity switches for PFAS-free benzene–azepine skeletal editing","Chemical Science","2025","","","","","10.1039/D5SC08177G","","x-ray","0.71075","MoKα","","0.0411","0.0381","","","0.1008","0.1031","","","","","","1.05","","","","has coordinates","303370","2025-11-25","11:11:03",""
"1576311","10.9994","0.0004","10.9593","0.0004","38.775","0.0014","90","","90.115","0.006","90","","4674.2","0.3","140","","140","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C62 H52 B N O -","- C62 H52 B N O -","- C248 H208 B4 N4 O4 -","4","2","","Li, Hao-Ze; Yang, Yu-Tao; Zhao, Yi-Cheng; Xie, Feng-Ming; Tang, Jianxin; Li, Yanqing","Orthogonal Di-Spiro Skeleton Engineering on Suppressing π-π Stacking and Spectral Broadening for High-Performance Narrowband Electroluminescence","Materials Horizons","2025","","","","","10.1039/D5MH01864A","","","1.54178","CuKα","","0.1141","0.0843","","","0.2107","0.231","","","","","","1.035","","","","has coordinates","303418","2025-11-25","17:04:44",""
"1576312","12.865","0.003","14.573","0.003","18.248","0.004","88.548","0.015","72.501","0.013","71.849","0.013","3091.7","1.2","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H76 B N2 O2.5 S -","- C72 H61 B N2 S -","- C144 H122 B2 N4 S2 -","2","1","","Li, Hao-Ze; Yang, Yu-Tao; Zhao, Yi-Cheng; Xie, Feng-Ming; Tang, Jianxin; Li, Yanqing","Orthogonal Di-Spiro Skeleton Engineering on Suppressing π-π Stacking and Spectral Broadening for High-Performance Narrowband Electroluminescence","Materials Horizons","2025","","","","","10.1039/D5MH01864A","","","1.54178","CuKα","","0.1483","0.0951","","","0.2309","0.257","","","","","","1.068","","","","has coordinates,has disorder","303418","2025-11-25","17:04:47",""
"1576313","14.2644","0.0004","17.5784","0.0005","26.3039","0.0007","90","","98.416","0.001","90","","6524.6","0.3","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H87 B N2 O4 -","- C72 H63 B N2 -","- C288 H252 B4 N8 -","4","1","","Li, Hao-Ze; Yang, Yu-Tao; Zhao, Yi-Cheng; Xie, Feng-Ming; Tang, Jianxin; Li, Yanqing","Orthogonal Di-Spiro Skeleton Engineering on Suppressing π-π Stacking and Spectral Broadening for High-Performance Narrowband Electroluminescence","Materials Horizons","2025","","","","","10.1039/D5MH01864A","","","0.71073","MoKα","","0.0709","0.0446","","","0.1126","0.1262","","","","","","1.0461","","","","has coordinates","303418","2025-11-25","17:04:47",""
"1576314","7.5445","0.0002","7.6703","0.0002","11.5765","0.0003","77.414","0.001","84.498","0.001","83.299","0.001","647.63","0.03","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Cl2 N4 Zn -","- C11 H10 Cl2 N4 Zn -","- C22 H20 Cl4 N8 Zn2 -","2","1","","Kukreti, Prashant; Chauhan, Rahul; Sharma, Keshav; Hitomi, Yutaka; Ghosh, Kaushik","Metal-ligand cooperative strategy of Zn-catalyst for multicomponent synthesis of highly substituted pyrazolines, pyrimidines, and quinolines: A combined experimental and DFT optimized study","Catalysis Science & Technology","2025","","","","","10.1039/D5CY01110H","","","0.71073","MoKα","","0.0229","0.0215","","","0.0525","0.0534","","","","","","1.055","","","","has coordinates","303420","2025-11-25","22:44:02",""
"1576315","8.6217","0.0002","18.03","0.0004","18.8439","0.0003","106.197","0.002","92.734","0.002","96.796","0.002","2783.21","0.11","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","14bc-mmm 250K / 4a","","- C65 H53 F12 N O6 -","- C65 H53 F12 N O6 -","- C130 H106 F24 N2 O12 -","2","1","","García-Calvo, José; Modino-Montes, María; Romero-Muñiz, Ignacio; Torres, Tomás","Controlling optoelectronic properties and aggregation of planar dipoles through symmetry-preserving modifications","Chemical Science","2025","","","","","10.1039/D5SC06682D","","x-ray","1.54184","CuKα","","0.1023","0.0822","","","0.2369","0.2557","","","","","","1.052","","","","has coordinates,has disorder","303421","2025-11-25","23:15:33",""
"1576316","8.0976","0.0003","36.4931","0.0014","28.4083","0.0008","90","","94.97","0.003","90","","8363.3","0.5","200","0.1","200","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","JG-10c 200K / 2a 200K","","- C49 H37 F12 N O2 -","- C49 H37 F12 N O2 -","- C392 H296 F96 N8 O16 -","8","2","","García-Calvo, José; Modino-Montes, María; Romero-Muñiz, Ignacio; Torres, Tomás","Controlling optoelectronic properties and aggregation of planar dipoles through symmetry-preserving modifications","Chemical Science","2025","","","","","10.1039/D5SC06682D","","x-ray","1.54184","CuKα","","0.1663","0.0831","","","0.2212","0.2763","","","","","","1.003","","","","has coordinates,has disorder","303421","2025-11-25","23:15:34",""
"1576317","17.5665","0.0016","21.8949","0.001","17.2854","0.0015","90","","109.319","0.01","90","","6273.9","0.9","150","0.1","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","JG162 150K / 4b 150K","","- C64.5 H51.75 F12 N O6 -","- C64.5 H51.75 F12 N O6 -","- C258 H207 F48 N4 O24 -","4","1","","García-Calvo, José; Modino-Montes, María; Romero-Muñiz, Ignacio; Torres, Tomás","Controlling optoelectronic properties and aggregation of planar dipoles through symmetry-preserving modifications","Chemical Science","2025","","","","","10.1039/D5SC06682D","","","1.54184","CuKα","","0.1691","0.1196","","","0.3437","0.3921","","","","","","1.082","","","","has coordinates,has disorder","303421","2025-11-25","23:15:35",""
"1576318","5.7489","0.0009","15.981","0.003","19.362","0.003","90","","90","","90","","1778.8","0.5","293.15","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H12 F5 N O -","- C21 H12 F5 N O -","- C84 H48 F20 N4 O4 -","4","1","","Shi, Dazhen; Zhu, Lihan; Jiang, Ying; Wang, Simin; Yin, Jianjun; Yuan, Xiuping; Ma, Shucheng; Li, Xiaoyu; Sun, Jiaqiong; Zhang, Qian; Xiong, Tao","Enantioselective copper-catalysed defluorinative alkylation of polyfluoroarenes with alkenes and 1,3-dienes","Chemical Science","2025","","","","","10.1039/D5SC08090H","","","1.54184","CuKα","","0.0399","0.0341","","","0.0776","0.0815","","","","","","1.083","","","","has coordinates","303422","2025-11-25","23:16:00",""
"1576319","8.5337","0.0001","11.1285","0.0001","28.2876","0.0003","90","","97.031","0.001","90","","2666.19","0.05","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O5 -","- C14 H20 O5 -","- C112 H160 O40 -","8","2","","Budekhin, Roman A.; Fomenkov, Dmitri I.; Ustyuzhanin, Alexander O.; Sliguzova, Darya Yu; Skokova, Ksenia V.; Vil', Vera A.; Alabugin, Igor V.; Terent'ev, Alexander O.","""Trading"" a C[double bond, length as m-dash]C moiety for four C-O bonds and a peroxide: combining ozone and <i>O</i>-nucleophiles for peroxidative ring expansion of cycloalkenes into medium-sized 1,2-dioxacycloalkanes.","Chemical science","2025","16","46","21806","21814","10.1039/d5sc06768e","","x-ray","1.54184","CuKα","","0.0443","0.0418","","","0.11","0.1116","","","","","","1.048","","","","has coordinates","303443","2025-11-26","23:18:28",""
"1576320","11.84","0.013","12.227","0.013","12.436","0.013","109.78","0.03","95.38","0.04","110.84","0.03","1536","3","298","2","298","","","","","","","","","7","P -1","-P 1","2","","Fe-STPen-OTf","","- C24 H25 F6 Fe N5 O6 S3 -","- C24 H25 F6 Fe N5 O6 S3 -","- C48 H50 F12 Fe2 N10 O12 S6 -","2","1","","Satpathy, Jagnyesh Kumar; Yadav, Rolly; Sahoo, Limashree; Uhlig, Jens; Nordlander, Ebbe; Sastri, Chivukula V.; de Visser, Sam P.","Sulfur-ligated iron(iv)-imido and iron(iv)-oxo complexes, which one is more reactive?","Chemical Science","2025","","","","","10.1039/D5SC07586F","","","0.71073","MoKα","","0.0913","0.0518","","","0.126","0.1379","","","","","","1.081","","","","has coordinates","303444","2025-11-26","23:18:54",""
"1576321","38.743","0.013","18.182","0.006","9.838","0.003","90","","90","","90","","6930","4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C39 H44 F6 P2 -","- C39 H44 F6 P2 -","- C312 H352 F48 P16 -","8","2","","Maity, Manik Lal; Chandra, Sayan; Mahato, Samyadeb; Bandyopadhyay, Subhajit","Installation of cationic phosphorus on dimethyldihydropyrene photoswitches: expanding the atomic repertoire towards far-red photoswitching in water.","Chemical science","2025","16","46","21991","22001","10.1039/d5sc06168g","","x-ray","0.71073","MoKα","","0.1721","0.1356","","","0.2914","0.314","","","","","","1.025","","","","has coordinates,has disorder","303445","2025-11-26","23:19:27",""
"1576322","10.8852","0.0005","12.4834","0.0006","25.1186","0.0012","101.427","0.002","90.026","0.002","115.072","0.002","3016.6","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","SB-MLM-DHPP2","","- C37.96 H35 O P -","- C37.96 H35 O P -","- C151.84 H140 O4 P4 -","4","2","","Maity, Manik Lal; Chandra, Sayan; Mahato, Samyadeb; Bandyopadhyay, Subhajit","Installation of cationic phosphorus on dimethyldihydropyrene photoswitches: expanding the atomic repertoire towards far-red photoswitching in water.","Chemical science","2025","16","46","21991","22001","10.1039/d5sc06168g","","","0.71073","MoKα","","0.096","0.0841","","","0.2276","0.2374","","","","","","1.092","","","","has coordinates,has disorder","303445","2025-11-26","23:19:28",""
"1576323","7.8471","0.0002","8.9604","0.0002","22.4164","0.0005","90","","90","","90","","1576.17","0.06","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 F N2 O -","- C18 H19 F N2 O -","- C72 H76 F4 N8 O4 -","4","1","","Zhao, Xianghua; Chen, Xinyu; Fan, Linxian; Jiang, Yulong; Chen, Yirui; Song, Dingguo; Ling, Fei; Hu, Junyuan; Zhong, Weihui","Bulky alkali metal cations enabled highly efficient iridium-catalyzed asymmetric hydrogenation for C–N axial chirality via dynamic kinetic resolution","Chemical Science","2025","","","","","10.1039/D5SC08462H","","x-ray","1.54178","CuKα","","0.0311","0.0296","","","0.074","0.0756","","","","","","1.11","","","","has coordinates","303458","2025-11-27","23:22:52",""
"1576324","9.3875","0.0001","9.5728","0.0002","31.7125","0.0009","89.935","0.002","89.95","0.002","81.37","0.001","2817.56","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 B N O2 -","- C17 H14 B N O2 -","- C136 H112 B8 N8 O16 -","8","4","","Frateloreto, Federico; Capocasa, Giorgio; De Angelis, Martina; Sandri, Greta; Lanzalunga, Osvaldo; Massera, Chiara; Di Stefano, Stefano","The Dynamic Chemistry of the Boron-Nitrogen Bond","Chemical Science","2025","","","","","10.1039/D5SC07665J","","","1.54184","CuKα","","0.0408","0.0378","","","0.0961","0.1002","","","","","","1.026","","","","has coordinates","303459","2025-11-27","23:23:27",""
"1576325","10.3502","0.0003","12.7006","0.0003","16.1326","0.0004","95.418","0.002","92.689","0.002","98.505","0.002","2084","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 B N2 O2 -","- C19 H19 B N2 O2 -","- C95 H95 B5 N10 O10 -","5","2.5","","Frateloreto, Federico; Capocasa, Giorgio; De Angelis, Martina; Sandri, Greta; Lanzalunga, Osvaldo; Massera, Chiara; Di Stefano, Stefano","The Dynamic Chemistry of the Boron-Nitrogen Bond","Chemical Science","2025","","","","","10.1039/D5SC07665J","","","1.54178","CuKα","","0.1183","0.0989","","","0.2446","0.2557","","","","","","1.089","","","","has coordinates,has disorder","303459","2025-11-27","23:23:27",""
"1576326","17.1915","0.0006","16.7124","0.0006","12.9115","0.0004","90","","103.272","0.001","90","","3610.5","0.2","199","2","199","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 B N O4 -","- C19 H26 B N O4 -","- C152 H208 B8 N8 O32 -","8","1","","Frateloreto, Federico; Capocasa, Giorgio; De Angelis, Martina; Sandri, Greta; Lanzalunga, Osvaldo; Massera, Chiara; Di Stefano, Stefano","The Dynamic Chemistry of the Boron-Nitrogen Bond","Chemical Science","2025","","","","","10.1039/D5SC07665J","","","1.54178","CuKα","","0.0541","0.0505","","","0.1348","0.139","","","","","","1.046","","","","has coordinates,has disorder","303459","2025-11-27","23:23:28",""
"1576327","12.4951","0.0003","17.7978","0.0014","20.04","0.0006","90","","95.789","0.003","90","","4433.9","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H36 B F15 N4 O -","- C45 H36 B F15 N4 O -","- C180 H144 B4 F60 N16 O4 -","4","1","","Orellana Ben Amor, Andrea; Vendier, Laure; Cesar, Vincent; Maurel, Vincent; Panetier, Julien Andre; Queyriaux, Nicolas","N-centered, yet Persistent: Isolation of N2O-Based Radicals through FLP-type Stabilization","Chemical Science","2025","","","","","10.1039/D5SC08152A","","x-ray","1.54184","CuKα","","0.0649","0.0536","","0.1348","0.1273","0.1348","","","","","","0.9738","","","","has coordinates","303460","2025-11-27","23:24:37",""
"1576328","11.9917","0.0002","12.7291","0.0001","16.8801","0.0002","92.215","0.001","92.353","0.001","90.087","0.001","2572.53","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H59 B N4 O2 -","- C49 H59 B N4 O2 -","- C98 H118 B2 N8 O4 -","2","1","","Orellana Ben Amor, Andrea; Vendier, Laure; Cesar, Vincent; Maurel, Vincent; Panetier, Julien Andre; Queyriaux, Nicolas","N-centered, yet Persistent: Isolation of N2O-Based Radicals through FLP-type Stabilization","Chemical Science","2025","","","","","10.1039/D5SC08152A","","x-ray","1.54184","CuKα","","0.0586","0.0463","","","0.1299","0.1397","","","","","","0.923","","","","has coordinates,has disorder","303460","2025-11-27","23:24:38",""
"1576329","11.9997","0.0008","17.903","0.003","23.0536","0.0015","90","","97.071","0.007","90","","4915","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H67 B K N4 O3 -","- C53 H67 B K N4 O3 -","- C212 H268 B4 K4 N16 O12 -","4","1","","Orellana Ben Amor, Andrea; Vendier, Laure; Cesar, Vincent; Maurel, Vincent; Panetier, Julien Andre; Queyriaux, Nicolas","N-centered, yet Persistent: Isolation of N2O-Based Radicals through FLP-type Stabilization","Chemical Science","2025","","","","","10.1039/D5SC08152A","","x-ray","1.54184","CuKα","","0.1316","0.0585","","","0.121","0.1568","","","","","","1.016","","","","has coordinates","303460","2025-11-27","23:24:39",""
"1576330","24.2907","0.0009","18.6853","0.0004","24.656","0.0007","90","","119.51","0.004","90","","9739.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 B F15 K N4 O2 -","- C49 H46 B F15 K N4 O2 -","- C392 H368 B8 F120 K8 N32 O16 -","8","2","","Orellana Ben Amor, Andrea; Vendier, Laure; Cesar, Vincent; Maurel, Vincent; Panetier, Julien Andre; Queyriaux, Nicolas","N-centered, yet Persistent: Isolation of N2O-Based Radicals through FLP-type Stabilization","Chemical Science","2025","","","","","10.1039/D5SC08152A","","x-ray","1.54184","CuKα","","0.0869","0.061","","","0.1592","0.1756","","","","","","1.045","","","","has coordinates","303460","2025-11-27","23:24:39",""
"1576331","12.504","0.0001","17.8222","0.0002","19.7591","0.0002","90","","97.49","0.001","90","","4365.72","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H42 B F9 N4 O -","- C45 H42 B F9 N4 O -","- C180 H168 B4 F36 N16 O4 -","4","1","","Orellana Ben Amor, Andrea; Vendier, Laure; Cesar, Vincent; Maurel, Vincent; Panetier, Julien Andre; Queyriaux, Nicolas","N-centered, yet Persistent: Isolation of N2O-Based Radicals through FLP-type Stabilization","Chemical Science","2025","","","","","10.1039/D5SC08152A","","x-ray","1.5418","CuKα","","0.0421","0.0383","","","0.0956","0.098","","","","","","1.049","","","","has coordinates","303460","2025-11-27","23:24:39",""
"1576332","19.3502","0.0002","14.724","0.0002","38.1926","0.0005","90","","94.028","0.001","90","","10854.7","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H58 B F9 K N4 O3 -","- C53 H58 B F9 K N4 O3 -","- C424 H464 B8 F72 K8 N32 O24 -","8","2","","Orellana Ben Amor, Andrea; Vendier, Laure; Cesar, Vincent; Maurel, Vincent; Panetier, Julien Andre; Queyriaux, Nicolas","N-centered, yet Persistent: Isolation of N2O-Based Radicals through FLP-type Stabilization","Chemical Science","2025","","","","","10.1039/D5SC08152A","","x-ray","1.54184","CuKα","","0.09","0.0623","","","0.1659","0.185","","","","","","1.087","","","","has coordinates","303460","2025-11-27","23:24:39",""
"1576333","10.949","0.0003","16.7276","0.0006","19.3212","0.0008","71.619","0.004","79.491","0.003","73.873","0.003","3208.5","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","Ti4O4(O2PCy2)4(OCH2CH2O)2","","- C55.5 H102 O16 P4 Ti4 -","- C55.5 H102 O16 P4 Ti4 -","- C111 H204 O32 P8 Ti8 -","2","1","","Chikara, Ashwani; Veale, Alexander R.; Brown, Stephen E.; Woolley, Jack M.; De Proft, Frank; Pike, Sebastian D.","Switching on photoreactivity in Ti4-oxo clusters by increasing the size of 1,n-alkane diolate bridging ligands","Chemical Science","2025","","","","","10.1039/D5SC08522E","","","1.54184","CuKα","","0.1519","0.0839","","0.2966","0.2335","0.2386","","","","","","0.9665","","","","has coordinates,has disorder","303461","2025-11-27","23:26:13",""
"1576334","21.9525","0.0018","15.0452","0.0013","21.236","0.002","90","","110.585","0.01","90","","6566","1.1","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C56 H104 O16 P4 Ti4 -","- C56 H104 O16 P4 Ti4 -","- C224 H416 O64 P16 Ti16 -","4","0.5","","Chikara, Ashwani; Veale, Alexander R.; Brown, Stephen E.; Woolley, Jack M.; De Proft, Frank; Pike, Sebastian D.","Switching on photoreactivity in Ti4-oxo clusters by increasing the size of 1,n-alkane diolate bridging ligands","Chemical Science","2025","","","","","10.1039/D5SC08522E","","","1.54184","CuKα","","0.194","0.0949","","0.361","0.2741","0.3226","","","","","","1.0748","","","","has coordinates,has disorder","303461","2025-11-27","23:26:13",""
"1576335","9.6817","0.0008","14.9038","0.0008","21.3452","0.0017","93.685","0.007","91.421","0.008","90.05","0.006","3072.7","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","Ti4O4(O2PPh2)4(OCH2CH2O)2","","- C53.79 H49.79 Cl5.38 O16 P4 Ti4 -","- C53.79 H49.79 Cl5.37 O16 P4 Ti4 -","- C107.58 H99.58 Cl10.74 O32 P8 Ti8 -","2","1","","Chikara, Ashwani; Veale, Alexander R.; Brown, Stephen E.; Woolley, Jack M.; De Proft, Frank; Pike, Sebastian D.","Switching on photoreactivity in Ti4-oxo clusters by increasing the size of 1,n-alkane diolate bridging ligands","Chemical Science","2025","","","","","10.1039/D5SC08522E","","","1.5418","CuKα","","0.3013","0.169","","0.526","0.4157","0.4642","","","","","","1.4952","","","","has coordinates,has disorder","303461","2025-11-27","23:26:14",""
"1576336","10.9435","0.0002","15.183","0.0002","21.4122","0.0003","90","","94.9865","0.0014","90","","3544.28","0.09","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Ti4O4(O2PCy2)4(OCH2CH2CH2O)2","","- C54 H100 O16 P4 Ti4 -","- C54 H100 O16 P4 Ti4 -","- C108 H200 O32 P8 Ti8 -","2","0.5","","Chikara, Ashwani; Veale, Alexander R.; Brown, Stephen E.; Woolley, Jack M.; De Proft, Frank; Pike, Sebastian D.","Switching on photoreactivity in Ti4-oxo clusters by increasing the size of 1,n-alkane diolate bridging ligands","Chemical Science","2025","","","","","10.1039/D5SC08522E","","","1.54184","CuKα","","0.053","0.0484","","0.143","0.1392","0.143","","","","","","0.9915","","","","has coordinates,has disorder","303461","2025-11-27","23:26:14",""
"1576337","12.8917","0.0009","16.379","0.002","17.2133","0.0012","93.84","0.02","92.043","0.013","109.294","0.009","3416.4","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","Ti4O4(O2PPh2)4(OCH2CH2CH2CH2CH2O)2","","- C68.5 H72 O16 P4 Ti4 -","- C68.5 H72 O16 P4 Ti4 -","- C137 H144 O32 P8 Ti8 -","2","1","","Chikara, Ashwani; Veale, Alexander R.; Brown, Stephen E.; Woolley, Jack M.; De Proft, Frank; Pike, Sebastian D.","Switching on photoreactivity in Ti4-oxo clusters by increasing the size of 1,n-alkane diolate bridging ligands","Chemical Science","2025","","","","","10.1039/D5SC08522E","","","1.54184","CuKα","","0.0596","0.0511","","0.1412","0.1357","0.1412","","","","","","1.0008","","","","has coordinates,has disorder","303461","2025-11-27","23:26:14",""
"1576338","14.8777","0.0002","14.9255","0.0002","16.2004","0.0001","63.9439","0.0013","88.892","0.0013","60.8791","0.0018","2735.26","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","Ti4O4(O2PPh2)4(OCH2CH2CH2O)2","","- C54 H52 O16 P4 Ti4 -","- C54 H52 O16 P4 Ti4 -","- C108 H104 O32 P8 Ti8 -","2","1","","Chikara, Ashwani; Veale, Alexander R.; Brown, Stephen E.; Woolley, Jack M.; De Proft, Frank; Pike, Sebastian D.","Switching on photoreactivity in Ti4-oxo clusters by increasing the size of 1,n-alkane diolate bridging ligands","Chemical Science","2025","","","","","10.1039/D5SC08522E","","","1.54184","CuKα","","0.0501","0.0485","","0.1374","0.1357","0.1374","","","","","","0.9838","","","","has coordinates","303461","2025-11-27","23:26:14",""
"1576339","12.2976","0.000008","15.695701","0.000009","19.424","0.000011","69.567","0.0013","76.459","0.0013","80.874","0.0013","3403.47","0.03","100","","100","","","","","","","","","5","P -1","-P 1","2","","[Ti4O4(OCH2CH2CH2CH2O)2(O2PPh2)4]","","- C70 H72 O16 P4 Ti4 -","- C70 H72 O16 P4 Ti4 -","- C140 H144 O32 P8 Ti8 -","2","1","","Chikara, Ashwani; Veale, Alexander R.; Brown, Stephen E.; Woolley, Jack M.; De Proft, Frank; Pike, Sebastian D.","Switching on photoreactivity in Ti4-oxo clusters by increasing the size of 1,n-alkane diolate bridging ligands","Chemical Science","2025","","","","","10.1039/D5SC08522E","","","0.6889","synchrotron","","0.1304","0.0595","","0.1449","0.1343","0.1435","","","","","","0.7918","","","","has coordinates,has disorder","303461","2025-11-27","23:26:15",""
"1576340","12.7347","0.0005","17.5024","0.0009","22.585","0.0011","97.665","0.002","95.943","0.002","110.063","0.002","4625.5","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H68 Mo5 N2.5 O18.5 Pr0.5 -","- C28.5 H68 Mo5 N2.5 O18.5 Pr0.5 -","- C114 H272 Mo20 N10 O74 Pr2 -","4","2","","Giles, Sydney M.; O'Neil, Kevin; Ramsier, Ian E.; Angelo, Gina; Gui, Xin; Transue, Wesley J.","UV–Vis–NIR Magnetic Linear Dichroism: A Powerful Complement to MCD for f-Block Electronic Structure","Chemical Science","2025","","","","","10.1039/D5SC05890B","","","0.71073","MoKα","","0.05","0.0369","","","0.0888","0.0989","","","","","","1.134","","","","has coordinates,has disorder","303462","2025-11-27","23:26:51",""
"1576341","15.8786","0.0007","15.8786","0.0007","17.1045","0.0009","90","","90","","120","","3734.8","0.3","172","1","172","1","","","","","","","","4","R 3 :H","R 3","146","","","","- C42 H63 N O3 -","- C42 H63 N O3 -","- C126 H189 N3 O9 -","3","0.333333","","Hong, Qiong-Yan; Huang, Bin; Niu, Yan-Fei; Wang, Cui-Hong; Zhao, Xiao-li; Yang, Hai-Bo; Shi, Xueliang","A 4,4',4''-Nitrilotriphenoxyl Radical Derived from Yang's Biradical","Chemical Science","2025","","","","","10.1039/D5SC06789H","","x-ray","1.54184","CuKα","","0.0873","0.0732","","","0.2145","0.2338","","","","","","1.021","","","","has coordinates,has disorder","303463","2025-11-27","23:27:39",""
"1576342","11.4459","0.0011","17.3442","0.0012","22.2295","0.0017","90","","100.43","0.008","90","","4340.1","0.6","172.99","0.1","172.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H34.5 N0.5 O1.5 -","- C24.5 H34.5 N0.5 O1.5 -","- C196 H276 N4 O12 -","8","1","","Hong, Qiong-Yan; Huang, Bin; Niu, Yan-Fei; Wang, Cui-Hong; Zhao, Xiao-li; Yang, Hai-Bo; Shi, Xueliang","A 4,4',4''-Nitrilotriphenoxyl Radical Derived from Yang's Biradical","Chemical Science","2025","","","","","10.1039/D5SC06789H","","x-ray","1.54184","CuKα","","0.1867","0.1398","","","0.3199","0.3541","","","","","","1.198","","","","has coordinates,has disorder","303463","2025-11-27","23:27:40",""
"1576343","15.364","0.0013","15.364","0.0013","11.5469","0.0012","90","","90","","120","","2360.5","0.4","173","0.1","173","0.1","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C42 H60 N O3 -","- C42 H60 N O3 -","- C84 H120 N2 O6 -","2","0.166667","","Hong, Qiong-Yan; Huang, Bin; Niu, Yan-Fei; Wang, Cui-Hong; Zhao, Xiao-li; Yang, Hai-Bo; Shi, Xueliang","A 4,4',4''-Nitrilotriphenoxyl Radical Derived from Yang's Biradical","Chemical Science","2025","","","","","10.1039/D5SC06789H","","x-ray","1.54184","CuKα","","0.1134","0.0955","","","0.2938","0.3109","","","","","","1.087","","","","has coordinates","303463","2025-11-27","23:27:40",""
"1576344","10.2641","0.0004","26.5484","0.0009","22.535","0.0009","90","","97.544","0.004","90","","6087.5","0.4","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 N2 O3 -","- C58 H96 N2 O3 -","- C232 H384 N8 O12 -","4","1","","Hong, Qiong-Yan; Huang, Bin; Niu, Yan-Fei; Wang, Cui-Hong; Zhao, Xiao-li; Yang, Hai-Bo; Shi, Xueliang","A 4,4',4''-Nitrilotriphenoxyl Radical Derived from Yang's Biradical","Chemical Science","2025","","","","","10.1039/D5SC06789H","","x-ray","1.54184","CuKα","","0.1213","0.0857","","","0.2411","0.2691","","","","","","1.081","","","","has coordinates","303463","2025-11-27","23:27:40",""
"1576345","7.5595","0.0001","15.9767","0.0002","19.4896","0.0003","90","","90","","90","","2353.87","0.06","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 N O3 S -","- C29 H25 N O3 S -","- C116 H100 N4 O12 S4 -","4","1","","Yang, Yu-Chen; Wu, Jia-Long; Zhang, Sheng-Ye; Sun, Teng; Liu, Xu; Zhao, Yanan; Wang, Lijia","Enantioselective Synthesis of Vicinal Amino Alcohols Promoted by Fluorine-Containing Counteranions","Chemical Science","2025","","","","","10.1039/D5SC06853C","","x-ray","1.54184","CuKα","","0.035","0.0327","","","0.0854","0.0865","","","","","","1.066","","","","has coordinates","303464","2025-11-27","23:28:05",""
"1576346","4.9176","0.0002","5.8208","0.0002","6.8535","0.0002","92.264","0.001","94.208","0.001","93.549","0.001","195.082","0.012","296.15","","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C6 H10 O8 -","- C6 H10 O8 -","- C6 H10 O8 -","1","0.5","","Karothu, Durga Prasad; Tahir, Ibrahim; Majhi, Sanjit Manohar; Ahmed, Ejaz; Catalano, Luca; Hickey, Niamh T.; Weston, James; Guerin, Sarah; Naumov, Panče","The ultrastiff crystals of mucic (galactaric) acid","Chemical Science","2025","","","","","10.1039/D5SC05888K","","","0.71073","MoKα","","0.038","0.0369","","","0.1089","0.11","","","","","","1.0651","","","","has coordinates","303479","2025-11-28","23:08:34",""
"1576347","20.637","0.005","11.267","0.003","28.605","0.006","90","","90","","90","","6651","3","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 B F2 N2 -","- C38 H41 B F2 N2 -","- C304 H328 B8 F16 N16 -","8","2","","González Sánchez, Marina; Garcia, Ana M.; Valera, Jorge Santos; Rodríguez, Ana María; Cabanillas, Juan; Prieto, Pilar; Gonzalez Rodriguez, David","Understanding Self-Assembly across Scales in BODIPY Derivatives: from Supramolecular Aggregation in Solution to Optical-Waveguiding Crystalline Materials","Chemical Science","2025","","","","","10.1039/D5SC07776A","","","0.71073","MoKα","","0.2653","0.0826","","","0.1741","0.2509","","","","","","0.916","","","","has coordinates","303480","2025-11-28","23:08:53",""
"1576348","12.2361","0.0002","5.83641","0.00011","13.4714","0.0003","90","","96.6635","0.0017","90","","955.56","0.03","298.41","0.1","298.41","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Zheng, Yu; Chen, Chunxi; Zhou, Xuhao; Deng, Guoyang; Lu, Yanju; Huang, Shenlin","Organo-catalyzed photoelectrochemical ring-contraction of arylidenecyclobutanols via radical cation-triggered semipinacol rearrangement","Chemical Science","2025","","","","","10.1039/D5SC07637D","","x-ray","1.54184","CuKα","","0.0388","0.035","","","0.1009","0.1047","","","","","","1.062","","","","has coordinates","303481","2025-11-28","23:09:11",""
"1576349","9.6484","0.001","10.2129","0.0011","16.1553","0.0018","108.345","0.005","96.4","0.005","95.058","0.006","1488.7","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H23 Eu N4 O7 -","- C38 H23 Eu N4 O7 -","- C76 H46 Eu2 N8 O14 -","2","1","","Zhang, Da-Shuai; Zhang, Zhen-Wei; Wang, Wei; Liu, Xiao-Ting; Gao, Qiang; Pang, Jingjing; Zhang, Yong-Zheng; Geng, Longlong; Feng, Chuanqi; Gao, Yanyan; Sha, Sha; Ni, Ai-Yun; Li, Bin; Zhang, Xiuling; Hu, Hui; Chang, Ze","Rare-earth-based donor-acceptor metal-organic frameworks with low thermal quenching and dual emission mechanisms for high-temperature sensing.","Materials horizons","2025","12","20","8537","8545","10.1039/d5mh00689a","","x-ray","1.54184","CuKα","","0.049","0.037","","","0.0845","0.1018","","","","","","1.154","","","","has coordinates,has disorder","303496","2025-11-29","16:14:01",""
"1576350","9.6604","0.0006","10.226","0.0006","16.1551","0.001","108.412","0.002","96.312","0.002","95.045","0.002","1492.26","0.16","196","2","196","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H23 N4 O7 Sm -","- C38 H23 N4 O7 Sm -","- C76 H46 N8 O14 Sm2 -","2","1","","Zhang, Da-Shuai; Zhang, Zhen-Wei; Wang, Wei; Liu, Xiao-Ting; Gao, Qiang; Pang, Jingjing; Zhang, Yong-Zheng; Geng, Longlong; Feng, Chuanqi; Gao, Yanyan; Sha, Sha; Ni, Ai-Yun; Li, Bin; Zhang, Xiuling; Hu, Hui; Chang, Ze","Rare-earth-based donor-acceptor metal-organic frameworks with low thermal quenching and dual emission mechanisms for high-temperature sensing.","Materials horizons","2025","12","20","8537","8545","10.1039/d5mh00689a","","x-ray","0.71073","MoKα","","0.054","0.0441","","","0.1073","0.1144","","","","","","1.032","","","","has coordinates,has disorder","303496","2025-11-29","16:14:03",""
"1576351","9.683","0.003","10.224","0.003","16.295","0.004","71.877","0.009","80.466","0.009","84.587","0.01","1510.4","0.7","373","2","373","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H23 Eu N4 O7 -","- C38 H23 Eu N4 O7 -","- C76 H46 Eu2 N8 O14 -","2","1","","Zhang, Da-Shuai; Zhang, Zhen-Wei; Wang, Wei; Liu, Xiao-Ting; Gao, Qiang; Pang, Jingjing; Zhang, Yong-Zheng; Geng, Longlong; Feng, Chuanqi; Gao, Yanyan; Sha, Sha; Ni, Ai-Yun; Li, Bin; Zhang, Xiuling; Hu, Hui; Chang, Ze","Rare-earth-based donor-acceptor metal-organic frameworks with low thermal quenching and dual emission mechanisms for high-temperature sensing.","Materials horizons","2025","12","20","8537","8545","10.1039/d5mh00689a","","x-ray","0.71073","MoKα","","0.0776","0.0498","","","0.0959","0.1098","","","","","","1.052","","","","has coordinates,has disorder","303496","2025-11-29","16:14:04",""
"1576352","9.612","0.003","10.22","0.003","15.86","0.005","72.008","0.008","78.487","0.008","79.532","0.007","1439.9","0.8","193.15","","193.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H21 Eu N4 O6 -","- C38 H21 Eu N4 O6 -","- C76 H42 Eu2 N8 O12 -","2","1","","Zhang, Da-Shuai; Zhang, Zhen-Wei; Wang, Wei; Liu, Xiao-Ting; Gao, Qiang; Pang, Jingjing; Zhang, Yong-Zheng; Geng, Longlong; Feng, Chuanqi; Gao, Yanyan; Sha, Sha; Ni, Ai-Yun; Li, Bin; Zhang, Xiuling; Hu, Hui; Chang, Ze","Rare-earth-based donor-acceptor metal-organic frameworks with low thermal quenching and dual emission mechanisms for high-temperature sensing.","Materials horizons","2025","12","20","8537","8545","10.1039/d5mh00689a","","x-ray","0.71073","MoKα","","0.1347","0.0984","","","0.2686","0.2913","","","","","","1.101","","","","has coordinates,has disorder","303496","2025-11-29","16:14:04",""
"1576353","9.6431","0.0015","10.1993","0.0015","16.139","0.003","108.487","0.006","96.165","0.007","94.917","0.006","1484.6","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H23 N4 O7 Tb -","- C38 H23 N4 O7 Tb -","- C76 H46 N8 O14 Tb2 -","2","1","","Zhang, Da-Shuai; Zhang, Zhen-Wei; Wang, Wei; Liu, Xiao-Ting; Gao, Qiang; Pang, Jingjing; Zhang, Yong-Zheng; Geng, Longlong; Feng, Chuanqi; Gao, Yanyan; Sha, Sha; Ni, Ai-Yun; Li, Bin; Zhang, Xiuling; Hu, Hui; Chang, Ze","Rare-earth-based donor-acceptor metal-organic frameworks with low thermal quenching and dual emission mechanisms for high-temperature sensing.","Materials horizons","2025","12","20","8537","8545","10.1039/d5mh00689a","","x-ray","1.54184","CuKα","","0.0399","0.0358","","","0.1002","0.1086","","","","","","1.107","","","","has coordinates,has disorder","303496","2025-11-29","16:14:06",""
"1576354","9.6322","0.0005","10.2018","0.0005","16.1078","0.0009","71.546","0.002","80.518","0.002","84.977","0.002","1479.88","0.14","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H23 Gd N4 O7 -","- C38 H23 Gd N4 O7 -","- C76 H46 Gd2 N8 O14 -","2","1","","Zhang, Da-Shuai; Zhang, Zhen-Wei; Wang, Wei; Liu, Xiao-Ting; Gao, Qiang; Pang, Jingjing; Zhang, Yong-Zheng; Geng, Longlong; Feng, Chuanqi; Gao, Yanyan; Sha, Sha; Ni, Ai-Yun; Li, Bin; Zhang, Xiuling; Hu, Hui; Chang, Ze","Rare-earth-based donor-acceptor metal-organic frameworks with low thermal quenching and dual emission mechanisms for high-temperature sensing.","Materials horizons","2025","12","20","8537","8545","10.1039/d5mh00689a","","x-ray","0.71073","MoKα","","0.0493","0.0396","","","0.0888","0.0944","","","","","","1.041","","","","has coordinates,has disorder","303496","2025-11-29","16:14:06",""
"1576355","9.7057","0.0004","10.2452","0.0005","16.2891","0.0007","72.145","0.001","80.512","0.001","84.932","0.001","1519.4","0.12","423","2","423","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H23 Eu N4 O7 -","- C38 H23 Eu N4 O7 -","- C76 H46 Eu2 N8 O14 -","2","1","","Zhang, Da-Shuai; Zhang, Zhen-Wei; Wang, Wei; Liu, Xiao-Ting; Gao, Qiang; Pang, Jingjing; Zhang, Yong-Zheng; Geng, Longlong; Feng, Chuanqi; Gao, Yanyan; Sha, Sha; Ni, Ai-Yun; Li, Bin; Zhang, Xiuling; Hu, Hui; Chang, Ze","Rare-earth-based donor-acceptor metal-organic frameworks with low thermal quenching and dual emission mechanisms for high-temperature sensing.","Materials horizons","2025","12","20","8537","8545","10.1039/d5mh00689a","","x-ray","0.71073","MoKα","","0.0439","0.0343","","","0.0843","0.0904","","","","","","1.059","","","","has coordinates,has disorder","303496","2025-11-29","16:14:06",""
"1576356","9.6303","0.0004","10.1848","0.0004","16.0924","0.0007","71.652","0.002","80.612","0.002","84.991","0.002","1476.99","0.11","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H23 Dy N4 O7 -","- C38 H23 Dy N4 O7 -","- C76 H46 Dy2 N8 O14 -","2","1","","Zhang, Da-Shuai; Zhang, Zhen-Wei; Wang, Wei; Liu, Xiao-Ting; Gao, Qiang; Pang, Jingjing; Zhang, Yong-Zheng; Geng, Longlong; Feng, Chuanqi; Gao, Yanyan; Sha, Sha; Ni, Ai-Yun; Li, Bin; Zhang, Xiuling; Hu, Hui; Chang, Ze","Rare-earth-based donor-acceptor metal-organic frameworks with low thermal quenching and dual emission mechanisms for high-temperature sensing.","Materials horizons","2025","12","20","8537","8545","10.1039/d5mh00689a","","x-ray","0.71073","MoKα","","0.036","0.0328","","","0.0845","0.0858","","","","","","1.162","","","","has coordinates,has disorder","303496","2025-11-29","16:14:06",""
"1576357","14.15","0.006","10.081","0.004","19.374","0.008","90","","107.913","0.009","90","","2629.7","1.9","173","2","173.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","zjj1","","- C38 H22 N2 -","- C38 H22 N2 -","- C152 H88 N8 -","4","1","","Zeng, Jiajie; Hao, Guoxia; Wu, Xing; Dong, Xiaobing; Guo, Tingxuan; Tang, Ben Zhong; Zhao, Zujin","High-Efficiency Nondoped Near-Ultraviolet Organic Light-Emitting Diodes Based on Spiro Luminogens with High-Lying Reverse Intersystem Crossing","Materials Horizons","2025","","","","","10.1039/D5MH01721A","","","0.71073","MoKα","","0.1074","0.0536","","","0.108","0.1317","","","","","","0.971","","","","has coordinates","303980","2025-11-30","02:38:12",""
"1576358","13.256","0.0003","9.9188","0.0002","19.2402","0.0004","90","","102.03","0.002","90","","2474.21","0.09","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","SFIAC-PCN-2","","- C38 H22 N2 -","- C38 H22 N2 -","- C152 H88 N8 -","4","1","","Zeng, Jiajie; Hao, Guoxia; Wu, Xing; Dong, Xiaobing; Guo, Tingxuan; Tang, Ben Zhong; Zhao, Zujin","High-Efficiency Nondoped Near-Ultraviolet Organic Light-Emitting Diodes Based on Spiro Luminogens with High-Lying Reverse Intersystem Crossing","Materials Horizons","2025","","","","","10.1039/D5MH01721A","","x-ray","1.54184","CuKα","","0.0449","0.0377","","","0.0918","0.0963","","","","","","1.049","","","","has coordinates","303980","2025-11-30","02:38:15",""
"1576359","29.53","0.004","22.584","0.003","7.8603","0.0008","90","","94.312","0.003","90","","5227.2","1.1","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 N2 -","- C38 H22 N2 -","- C304 H176 N16 -","8","2","","Zeng, Jiajie; Hao, Guoxia; Wu, Xing; Dong, Xiaobing; Guo, Tingxuan; Tang, Ben Zhong; Zhao, Zujin","High-Efficiency Nondoped Near-Ultraviolet Organic Light-Emitting Diodes Based on Spiro Luminogens with High-Lying Reverse Intersystem Crossing","Materials Horizons","2025","","","","","10.1039/D5MH01721A","","","0.71073","MoKα","","0.1132","0.0529","","","0.0955","0.1156","","","","","","1.0051","","","","has coordinates","303980","2025-11-30","02:38:16",""
"1576360","11.0968","0.0003","19.6141","0.0004","14.0811","0.0003","90","","111.742","0.002","90","","2846.78","0.12","178","","178","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C19 H29 Cl2 Mn N5 O2 -","- C19 H29 Cl2 Mn N5 O2 -","- C76 H116 Cl8 Mn4 N20 O8 -","4","0.5","","Fujisawa, Kiyoshi; Minakawa, Yurika; Young, David James","Iron(II) and Manganese(II) Coordination Chemistry Ligated by Coplanar Tridentate Nitrogen-Donor Ligand, 2,6-bis(5-isopropyl-1<i>H</i>-pyrazol-3-yl)pyridine.","Molecules (Basel, Switzerland)","2025","30","20","4128","","10.3390/molecules30204128","","","0.71073","MoKα","","0.0444","0.042","","","0.1373","0.1404","","","","","","1.142","","","","has coordinates","303981","2025-11-30","20:39:13",""
"1576361","11.13254","0.00019","19.5519","0.0002","13.9995","0.0002","90","","111.674","0.0019","90","","2831.73","0.08","178","","178","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C19 H29 Cl2 Fe N5 O2 -","- C19 H29 Cl2 Fe N5 O2 -","- C76 H116 Cl8 Fe4 N20 O8 -","4","0.5","","Fujisawa, Kiyoshi; Minakawa, Yurika; Young, David James","Iron(II) and Manganese(II) Coordination Chemistry Ligated by Coplanar Tridentate Nitrogen-Donor Ligand, 2,6-bis(5-isopropyl-1<i>H</i>-pyrazol-3-yl)pyridine.","Molecules (Basel, Switzerland)","2025","30","20","4128","","10.3390/molecules30204128","","","0.71073","MoKα","","0.0343","0.0331","","","0.117","0.1177","","","","","","1.248","","","","has coordinates","303982","2025-11-30","20:39:36",""
"1576364","8.5358","0.0005","9.1398","0.0004","10.2329","0.0004","106.123","0.004","98.243","0.004","91.855","0.004","756.81","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 B Cl -","- C20 H14 B Cl -","- C40 H28 B2 Cl2 -","2","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.1306","0.0876","","","0.239","0.2917","","","","","","1.053","","","","has coordinates","304002","2025-12-02","23:22:31",""
"1576365","9.5538","0.0004","10.0705","0.0003","15.4814","0.0005","106.738","0.003","90.918","0.003","99.982","0.003","1401.35","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H39 B -","- C35 H39 B -","- C70 H78 B2 -","2","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.1043","0.085","","","0.2517","0.2749","","","","","","1.066","","","","has coordinates,has disorder","304002","2025-12-02","23:22:32",""
"1576366","10.1782","0.0001","21.388","0.0002","9.6321","0.0001","90","","109.636","0.002","90","","1974.89","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 B S -","- C26 H19 B S -","- C104 H76 B4 S4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0416","0.0382","","","0.1039","0.1063","","","","","","1.057","","","","has coordinates","304002","2025-12-02","23:22:33",""
"1576367","9.3633","0.0004","10.9091","0.0005","11.5638","0.0004","109.291","0.004","95.409","0.003","109.726","0.004","1020.91","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 B S -","- C27 H21 B S -","- C54 H42 B2 S2 -","2","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0682","0.0658","","","0.2249","0.2294","","","","","","1.9","","","","has coordinates","304002","2025-12-02","23:22:33",""
"1576368","12.179","0.0002","15.5635","0.0002","12.7819","0.0002","90","","93.939","0.001","90","","2417.06","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 B -","- C30 H25 B -","- C120 H100 B4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0556","0.0439","","","0.1066","0.1123","","","","","","1.037","","","","has coordinates","304002","2025-12-02","23:22:33",""
"1576369","12.0916","0.0003","10.4172","0.0002","15.9982","0.0003","90","","102.059","0.003","90","","1970.67","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 B S -","- C26 H19 B S -","- C104 H76 B4 S4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0612","0.0444","","","0.1144","0.1234","","","","","","1.027","","","","has coordinates","304002","2025-12-02","23:22:34",""
"1576370","7.2183","0.0001","11.1905","0.0002","18.6492","0.0003","81.364","0.001","85.917","0.001","75.327","0.001","1439.9","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H33 B Si -","- C37 H33 B Si -","- C74 H66 B2 Si2 -","2","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0433","0.0386","","","0.0986","0.1016","","","","","","1.055","","","","has coordinates","304002","2025-12-02","23:22:34",""
"1576371","7.2498","0.0001","12.1524","0.0003","18.0762","0.0004","85.654","0.002","83.431","0.002","73.428","0.002","1514.83","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H35 B Si -","- C38 H35 B Si -","- C76 H70 B2 Si2 -","2","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0765","0.0592","","","0.1617","0.1726","","","","","","1.057","","","","has coordinates,has disorder","304002","2025-12-02","23:22:35",""
"1576372","15.2932","0.0004","17.1503","0.0004","17.9798","0.0006","63.828","0.003","66.218","0.003","89.465","0.002","3790.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H37 B N2 -","- C42 H37 B N2 -","- C168 H148 B4 N8 -","4","2","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0709","0.0476","","","0.1189","0.1294","","","","","","1.038","","","","has coordinates,has disorder","304002","2025-12-02","23:22:35",""
"1576373","5.8732","0.0002","9.1187","0.0004","22.1596","0.0009","83.044","0.003","84.725","0.004","78.152","0.004","1150.19","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 B O -","- C30 H27 B O -","- C60 H54 B2 O2 -","2","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0801","0.0582","","","0.153","0.1653","","","","","","1.067","","","","has coordinates","304002","2025-12-02","23:22:35",""
"1576374","8.7393","0.0004","10.2112","0.0004","11.8329","0.0005","98.425","0.004","96.546","0.003","90.62","0.003","1037.34","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 B Se -","- C27 H21 B Se -","- C54 H42 B2 Se2 -","2","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0511","0.0463","","","0.1295","0.132","","","","","","1.143","","","","has coordinates","304002","2025-12-02","23:22:36",""
"1576375","13.2253","0.0003","9.1892","0.0003","15.5388","0.0004","90","","90.73","0.002","90","","1888.28","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 B O -","- C26 H19 B O -","- C104 H76 B4 O4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0559","0.0438","","","0.1139","0.1217","","","","","","1.023","","","","has coordinates","304002","2025-12-02","23:22:36",""
"1576376","21.127","0.0003","5.9644","0.0001","33.0481","0.0004","90","","106.702","0.001","90","","3988.7","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 B O -","- C27 H21 B O -","- C216 H168 B8 O8 -","8","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0478","0.0408","","","0.1027","0.1076","","","","","","1.052","","","","has coordinates","304002","2025-12-02","23:22:36",""
"1576377","21.2409","0.0001","14.479","0.0001","38.636","0.0002","90","","100.987","0.001","90","","11664.6","0.12","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C40 H29 B -","- C40 H29 B -","- C640 H464 B16 -","16","2","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0746","0.0665","","","0.1677","0.1758","","","","","","1.041","","","","has coordinates","304002","2025-12-02","23:22:37",""
"1576378","10.3483","0.0002","14.6643","0.0005","15.698","0.0003","108.81","0.002","93.158","0.002","100.928","0.002","2196.69","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H25 B -","- C30 H25 B -","- C120 H100 B4 -","4","2","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0802","0.0612","","","0.1721","0.1864","","","","","","1.037","","","","has coordinates,has disorder","304002","2025-12-02","23:22:37",""
"1576379","9.3787","0.0002","22.2346","0.0004","15.4814","0.0003","90","","96.206","0.002","90","","3209.44","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H31 B N2 -","- C39 H31 B N2 -","- C156 H124 B4 N8 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0739","0.06","","","0.1428","0.1507","","","","","","1.057","","","","has coordinates,has disorder","304002","2025-12-02","23:22:38",""
"1576380","9.8535","0.0002","18.4881","0.0003","12.4246","0.0002","90","","95.167","0.002","90","","2254.22","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 B -","- C31 H27 B -","- C124 H108 B4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.1044","0.0863","","","0.2192","0.2365","","","","","","1.233","","","","has coordinates","304002","2025-12-02","23:22:38",""
"1576381","9.466","0.0002","11.8943","0.0003","15.9347","0.0004","95.34","0.002","93.206","0.002","111.105","0.002","1658.76","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H39 B Si -","- C43 H39 B Si -","- C86 H78 B2 Si2 -","2","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0729","0.0581","","","0.1511","0.1613","","","","","","1.046","","","","has coordinates","304002","2025-12-02","23:22:38",""
"1576382","19.1092","0.0003","14.4261","0.0002","23.5455","0.0004","90","","91.41","0.001","90","","6488.85","0.18","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 B -","- C44 H34 B -","- C352 H272 B8 -","8","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0611","0.0549","","","0.155","0.1617","","","","","","1.043","","","","has coordinates,has disorder","304002","2025-12-02","23:22:39",""
"1576383","12.1622","0.0001","15.8236","0.0002","13.1496","0.0001","90","","93.484","0.001","90","","2525.96","0.04","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 B -","- C34 H30 B -","- C136 H120 B4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0507","0.0429","","","0.1122","0.1174","","","","","","1.046","","","","has coordinates","304002","2025-12-02","23:22:39",""
"1576384","9.3001","0.0001","14.8242","0.0002","23.1387","0.0003","90","","99.742","0.001","90","","3144.05","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H29 B N2 -","- C38 H29 B N2 -","- C152 H116 B4 N8 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger","Boraindenes as versatile precursors to benzannulated boron heterocycles","Chemical Science","2025","","","","","10.1039/D5SC08526H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0678","0.0534","","","0.1405","0.1497","","","","","","1.047","","","","has coordinates,has disorder","304002","2025-12-02","23:22:39",""
"1576385","4.9531","0.0008","19.0154","0.0015","23.435","0.002","112.684","0.008","93.637","0.011","90.887","0.01","2030.5","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","CPNDI-1(TCB)","5',5''''-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)bis([1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid)","","- C90 H48 Cl18 N2 O12 -","- C54 H30 N2 O12 -","- C54 H30 N2 O12 -","1","0.5","","Murata, Yuzuki; Hashimoto, Taito; Oketani, Ryusei; Naruoka, Miki; Paitandi, Rajendra Prasad; Tonai, Norimitsu; Seki, Shu; Hisaki, Ichiro","A hydrogen-bonded organic framework possessing one-dimensional wide channels surrounded by naphthalenediimide plane","Chemical Science","2025","","","","","10.1039/D5SC07488F","","x-ray","0.81022","synchrotron","","0.2544","0.1618","","","0.3707","0.4485","","","","","","0.85","","","","has coordinates","304003","2025-12-02","23:24:07",""
"1576386","21.565","0.009","5.361","0.002","15.03","0.006","90","","95.476","0.015","90","","1729.7","1.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Br O2 -","- C20 H23 Br O2 -","- C80 H92 Br4 O8 -","4","1","","Li, Puhui; Yu, Yajun; Ma, Xingxing; Song, Qiuling","Synthesis and Separation of Two Stereoisomers of Deuterated Tetrasubstituted Allylic Alcohols via Consecutive Dual 1,2-Metallate Shifts","Chemical Science","2025","","","","","10.1039/D5SC06886J","","","0.71073","MoKα","","0.0789","0.0399","","","0.0781","0.0893","","","","","","1.022","","","","has coordinates","304004","2025-12-02","23:24:29",""
"1576387","8.1522","0.0002","23.0108","0.0006","16.0988","0.0004","90","","91.122","0.001","90","","3019.37","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Cl2 N9 O4 Pd -","- C28 H23 Cl2 N9 O4 Pd -","- C112 H92 Cl8 N36 O16 Pd4 -","4","1","","Gahlaut, Puneet Singh; Shekhawat, Bhawana; Mondal, Partha; Jana, Barun","Efficient C-2 Arylation of Azoles via [κ 2 N] Pd (II)-Triazolyl-Pyridine Complexes Enabled by Silver in HFIP","Catalysis Science & Technology","2025","","","","","10.1039/D5CY01409C","","","0.71073","MoKα","","0.0498","0.0398","","","0.0887","0.0932","","","","","","1.074","","","","has coordinates,has disorder","304013","2025-12-03","22:40:46",""
"1576388","25.563","0.0006","21.6738","0.0006","30.9636","0.0007","90","","97.064","0.001","90","","17025.1","0.7","100","0.5","100","0.5","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Au13(dppe)5(PA)2(OTf)3 big xtal CH3CN/Ether","","","- C154 H139 Au13 F6 N3 O6 P10 S2 -","- C154 H139 Au13 F6 N3 O6 P10 S2 -","- C616 H556 Au52 F24 N12 O24 P40 S8 -","4","0.5","","Huang, Zengguang; Takano, Shinjiro; Tsukuda, Tatsuya","Sc(OTf)3-Induced, Selective Removal of Alkynyl Ligands from Heteroleptic Au13 and Au38 Nanoclusters","Nanoscale","2025","","","","","10.1039/D5NR03977K","","x-ray","0.71073","MoKα","","0.0392","0.035","","","0.0713","0.0736","","","","","","1.111","","","","has coordinates,has disorder","304024","2025-12-04","01:25:25",""
"1576389","13.7023","0.0003","12.7733","0.0002","14.5279","0.0004","90","","111.725","0.003","90","","2362.12","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 N2 O6 S2 -","- C56 H58 N2 O6 S2 -","- C112 H116 N4 O12 S4 -","2","0.5","","Jiang, Simin; He, Yanmei; Yang, Guo-Xi; Pullerits, Tönu; Su, Shi-Jian","Dual Conformational Emission and Vibrational Coherence in Sulfone-Embedded Narrowband Emitter","Chemical Science","2025","","","","","10.1039/D5SC07981K","","x-ray","0.71073","MoKα","","0.1014","0.0527","","","0.1425","0.1623","","","","","","0.9793","","","","has coordinates","304036","2025-12-04","23:41:31",""
"1576390","13.1214","0.0003","22.4946","0.0007","15.8218","0.0004","90","","98.29","0.002","90","","4621.2","0.2","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N2 O6 S2 -","- C42 H42 N2 O6 S2 -","- C168 H168 N8 O24 S8 -","4","1","","Jiang, Simin; He, Yanmei; Yang, Guo-Xi; Pullerits, Tönu; Su, Shi-Jian","Dual Conformational Emission and Vibrational Coherence in Sulfone-Embedded Narrowband Emitter","Chemical Science","2025","","","","","10.1039/D5SC07981K","","x-ray","1.54184","CuKα","","0.0888","0.0762","","","0.2192","0.2296","","","","","","1.04","","","","has coordinates","304036","2025-12-04","23:41:31",""
"1576391","13.0818","0.0001","26.5227","0.0002","28.5781","0.0002","90","","95.153","0.001","90","","9875.52","0.13","200","0.4","200","0.4","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H108 Cr3 F3 N14 O50 -","- C51 H56 Cr3 F3 N14 O37 -","- C204 H224 Cr12 F12 N56 O148 -","4","1","","Tacconi, Leonardo; Bisht, Shubham; Cini, Alberto; Perfetti, Mauro; Orlando, Tomas; Fittipaldi, Maria; Shatruk, Michael; Sessoli, Roberta","Sensitive Detection of Spin-Electric Coupling in a Cr3 Antiferromagnetic Triangle","Chemical Science","2025","","","","","10.1039/D5SC08012F","","x-ray","1.54184","CuKα","","0.0753","0.0676","","","0.1887","0.1969","","","","","","1.036","","","","has coordinates,has disorder","304037","2025-12-04","23:42:09",""
"1576392","10.45379","0.00016","14.6325","0.0003","15.6043","0.0002","90","","98.6578","0.0015","90","","2359.71","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H19 N3 S2 -","- C31 H19 N3 S2 -","- C124 H76 N12 S8 -","4","1","","Li, Wenhao; Niu, Mengyao; Zhu, Yi-Yun; Zhang, Man; Gao, Haoyu; Zhang, Xin-Chao; Yang, Bo; Wei, Donghui; Chen, Xuenian","Regulation and Mechanisms of Full-Visible-Spectrum Emission in Solid and Liquid States for D-π-A Cyanobenzene-Phenothiazine Fluorescent Molecules","Chemical Science","2025","","","","","10.1039/D5SC06095H","","x-ray","1.54184","CuKα","","0.0588","0.0479","","","0.1246","0.1362","","","","","","1.035","","","","has coordinates,has disorder","304039","2025-12-04","23:43:57",""
"1576393","34.98","0.004","13.2515","0.0003","20.171","0.003","90","","147.08","0.03","90","","5081","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H18 N4 S2 -","- C32 H18 N4 S2 -","- C256 H144 N32 S16 -","8","1","","Li, Wenhao; Niu, Mengyao; Zhu, Yi-Yun; Zhang, Man; Gao, Haoyu; Zhang, Xin-Chao; Yang, Bo; Wei, Donghui; Chen, Xuenian","Regulation and Mechanisms of Full-Visible-Spectrum Emission in Solid and Liquid States for D-π-A Cyanobenzene-Phenothiazine Fluorescent Molecules","Chemical Science","2025","","","","","10.1039/D5SC06095H","","x-ray","1.54184","CuKα","","0.0684","0.0535","","","0.1471","0.1652","","","","","","1.026","","","","has coordinates,has disorder","304039","2025-12-04","23:43:57",""
"1576394","25.4166","0.0005","23.4191","0.0003","8.12028","0.00019","90","","116.946","0.003","90","","4308.72","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H32 Cl2 N6 S2 -","- C53 H32 Cl2 N6 S2 -","- C212 H128 Cl8 N24 S8 -","4","0.5","","Li, Wenhao; Niu, Mengyao; Zhu, Yi-Yun; Zhang, Man; Gao, Haoyu; Zhang, Xin-Chao; Yang, Bo; Wei, Donghui; Chen, Xuenian","Regulation and Mechanisms of Full-Visible-Spectrum Emission in Solid and Liquid States for D-π-A Cyanobenzene-Phenothiazine Fluorescent Molecules","Chemical Science","2025","","","","","10.1039/D5SC06095H","","x-ray","1.54184","CuKα","","0.0718","0.0625","","","0.1721","0.1825","","","","","","1.086","","","","has coordinates","304039","2025-12-04","23:43:59",""
"1576395","8.3807","0.0005","8.6976","0.0007","12.0564","0.0008","96.124","0.006","98.436","0.006","115.37","0.007","771.21","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H11 N3 S -","- C20 H11 N3 S -","- C40 H22 N6 S2 -","2","1","","Li, Wenhao; Niu, Mengyao; Zhu, Yi-Yun; Zhang, Man; Gao, Haoyu; Zhang, Xin-Chao; Yang, Bo; Wei, Donghui; Chen, Xuenian","Regulation and Mechanisms of Full-Visible-Spectrum Emission in Solid and Liquid States for D-π-A Cyanobenzene-Phenothiazine Fluorescent Molecules","Chemical Science","2025","","","","","10.1039/D5SC06095H","","x-ray","1.54184","CuKα","","0.0544","0.0468","","","0.1317","0.1415","","","","","","1.04","","","","has coordinates","304039","2025-12-04","23:43:59",""
"1576396","7.99056","0.00016","21.5935","0.0005","10.9215","0.0003","90","","90.525","0.002","90","","1884.36","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N2 S -","- C25 H16 N2 S -","- C100 H64 N8 S4 -","4","1","","Li, Wenhao; Niu, Mengyao; Zhu, Yi-Yun; Zhang, Man; Gao, Haoyu; Zhang, Xin-Chao; Yang, Bo; Wei, Donghui; Chen, Xuenian","Regulation and Mechanisms of Full-Visible-Spectrum Emission in Solid and Liquid States for D-π-A Cyanobenzene-Phenothiazine Fluorescent Molecules","Chemical Science","2025","","","","","10.1039/D5SC06095H","","x-ray","1.54184","CuKα","","0.057","0.0464","","","0.1284","0.1392","","","","","","1.042","","","","has coordinates","304039","2025-12-04","23:43:59",""
"1576397","10.241","0.0005","13.4271","0.0008","17.0627","0.0007","97.761","0.004","105.606","0.004","111.993","0.005","2021","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H30 Cl4 N4 S2 -","- C46 H30 Cl4 N4 S2 -","- C92 H60 Cl8 N8 S4 -","2","1","","Li, Wenhao; Niu, Mengyao; Zhu, Yi-Yun; Zhang, Man; Gao, Haoyu; Zhang, Xin-Chao; Yang, Bo; Wei, Donghui; Chen, Xuenian","Regulation and Mechanisms of Full-Visible-Spectrum Emission in Solid and Liquid States for D-π-A Cyanobenzene-Phenothiazine Fluorescent Molecules","Chemical Science","2025","","","","","10.1039/D5SC06095H","","x-ray","1.54184","CuKα","","0.0787","0.0642","","","0.1772","0.1939","","","","","","1.034","","","","has coordinates","304039","2025-12-04","23:43:59",""
"1576398","11.404","0.0003","18.6996","0.0004","15.7643","0.0004","90","","99.473","0.002","90","","3315.9","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H27 N3 S2 -","- C43 H27 N3 S2 -","- C172 H108 N12 S8 -","4","1","","Li, Wenhao; Niu, Mengyao; Zhu, Yi-Yun; Zhang, Man; Gao, Haoyu; Zhang, Xin-Chao; Yang, Bo; Wei, Donghui; Chen, Xuenian","Regulation and Mechanisms of Full-Visible-Spectrum Emission in Solid and Liquid States for D-π-A Cyanobenzene-Phenothiazine Fluorescent Molecules","Chemical Science","2025","","","","","10.1039/D5SC06095H","","x-ray","1.54184","CuKα","","0.069","0.0518","","","0.1422","0.1591","","","","","","1.024","","","","has coordinates","304039","2025-12-04","23:44:00",""
"1576399","9.4548","0.0006","16.5184","0.0011","19.6302","0.0009","90","","90.53","0.005","90","","3065.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H12 N2 S -","- C19 H12 N2 S -","- C152 H96 N16 S8 -","8","4","","Li, Wenhao; Niu, Mengyao; Zhu, Yi-Yun; Zhang, Man; Gao, Haoyu; Zhang, Xin-Chao; Yang, Bo; Wei, Donghui; Chen, Xuenian","Regulation and Mechanisms of Full-Visible-Spectrum Emission in Solid and Liquid States for D-π-A Cyanobenzene-Phenothiazine Fluorescent Molecules","Chemical Science","2025","","","","","10.1039/D5SC06095H","","x-ray","1.54184","CuKα","","0.0782","0.0566","","","0.1488","0.1715","","","","","","1.024","","","","has coordinates","304039","2025-12-04","23:44:00",""
"1576400","11.9128","0.0003","11.9128","0.0003","46.5724","0.0013","90","","90","","120","","5723.8","0.3","294","2","294","","","","","","","","","5","P 61","P 61","169","","","","- C45 H27 Cl2 N5 S3 -","- C45 H27 Cl2 N5 S3 -","- C270 H162 Cl12 N30 S18 -","6","1","","Li, Wenhao; Niu, Mengyao; Zhu, Yi-Yun; Zhang, Man; Gao, Haoyu; Zhang, Xin-Chao; Yang, Bo; Wei, Donghui; Chen, Xuenian","Regulation and Mechanisms of Full-Visible-Spectrum Emission in Solid and Liquid States for D-π-A Cyanobenzene-Phenothiazine Fluorescent Molecules","Chemical Science","2025","","","","","10.1039/D5SC06095H","","","0.71073","MoKα","","0.2405","0.1724","","","0.4236","0.5659","","","","","","1.185","","","","has coordinates","304039","2025-12-04","23:44:00",""
"1576401","17.0229","0.0008","15.4122","0.0007","27.0795","0.0011","90","","108.157","0.002","90","","6750.8","0.5","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H26 N4 S3 -","- C43 H26 N4 S3 -","- C344 H208 N32 S24 -","8","4","","Li, Wenhao; Niu, Mengyao; Zhu, Yi-Yun; Zhang, Man; Gao, Haoyu; Zhang, Xin-Chao; Yang, Bo; Wei, Donghui; Chen, Xuenian","Regulation and Mechanisms of Full-Visible-Spectrum Emission in Solid and Liquid States for D-π-A Cyanobenzene-Phenothiazine Fluorescent Molecules","Chemical Science","2025","","","","","10.1039/D5SC06095H","","","0.71073","MoKα","","0.1828","0.1138","","","0.289","0.3414","","","","","","1.041","","","","has coordinates","304039","2025-12-04","23:44:00",""
"1576402","8.3653","0.0001","22.1366","0.0002","20.4429","0.0002","90","","94.206","0.001","90","","3775.41","0.07","298.5","0.5","298.5","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Ga2 N6 O28 P4 -","- C24 H24 Ga2 N6 O28 P4 -","- C96 H96 Ga8 N24 O112 P16 -","4","1","","Huang, Shuai; Yi, Zhihui; Wang, Zhuopeng; Tan, Su; Wu, Junbiao; Liang, Zhiqiang; Li, Jiyang","Switchable Proton Conduction Driven by UV/NIR-Induced Electron Transfer in an Inorganic-Organic Hybrid Gallium Phosphate–Oxalate Open-Framework","Chemical Science","2025","","","","","10.1039/D5SC05778G","","x-ray","1.54184","CuKα","","0.0359","0.0346","","","0.0964","0.0975","","","","","","1.053","","","","has coordinates","304130","2025-12-08","23:13:05",""
"1576409","14.0461","0.0005","12.8296","0.0004","17.1929","0.0006","90","","90","","90","","3098.26","0.18","213","2","213","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C176 H112 N16 -","8","1","","Li, Yu-Hao; Liu, Jiang-Tao; Sun, Ya-Bing; Huang, Yun-Peng; Hou, Jia-Wang; Xu, Yikai; Zhang, Chen-Chen; Xu, Tian-Yi; Tong, Fei","Photoinduced Dynamic Gelation and Deformations Based on Molecular Crystal Microrods Stimulated by Z-to-E Photoisomerization","Nanoscale","2025","","","","","10.1039/D5NR03308J","","","0.71073","MoKα","","0.091","0.0536","","","0.0992","0.1156","","","","","","1.081","","","","has coordinates","304154","2025-12-10","01:40:20",""
"2023324","20.128","0.004","19.816","0.004","13.429","0.003","90","","90","","90","","5356.2","1.9","243.15","","243.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>p</i>-Xylene@silicalite-1","<i>p</i>-Xylene@silicalite-1","","- C16 H20 O48 Si24 -","- C16 H20 O48 Si24 -","- C64 H80 O192 Si96 -","4","1","TX2091","Hwang, In-Chul","Crystal structure of p-xylene@silicalite-1","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011642","","","0.7","synchrotron","","0.0305","0.0277","","","0.0775","0.0789","","","","","","1.041","","","","has coordinates","296212","2024-12-04","02:49:49",""
"2023325","9.0322","0.0002","13.974","0.0003","16.0004","0.0004","90","","90","","90","","2019.51","0.08","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2-amino-1-methyl-1<i>H</i>-\ benzimidazole-κ<i>N</i>^3^)copper(II)","","- C18 H23 Cu N3 O4 -","- C18 H23 Cu N3 O4 -","- C72 H92 Cu4 N12 O16 -","4","0.5","TX2089","Siddikova, Kyzlarkhan; Ziyatov, Daminbek; Tojiboev, Akmaljon; Ashurov, Jamshid; Kadirova, Zukhra; Daminova, Shahlo","Synthesis, crystal structure and Hirshfeld surface analysis of bis(acetylacetonato-κ2 O,O′)(2-amino-1-methyl-1H-benzimidazole-κN 3)copper(II)","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011538","","","1.54184","CuKα","","0.044","0.0362","","","0.1029","0.1093","","","","","","1.0436","","","","has coordinates","296213","2024-12-04","02:50:07",""
"2023326","9.6337","0.0001","9.8825","0.0002","12.8446","0.0003","87.546","0.002","86.605","0.001","70.914","0.003","1153.26","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>)-3-[4-(Diphenylamino)phenyl]-1-[4-(prop-1-yn-2-yloxy)phenyl]prop-2-en-1-one","","- C30 H23 N O2 -","- C30 H23 N O2 -","- C60 H46 N2 O4 -","2","1","WM5735","Madhan, Sundarasamy; Nizam Mohideen, Mohamed Hanifa; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structure and Hirshfeld surface analysis of the chalcone derivative (2E)-3-[4-(diphenylamino)phenyl]-1-[4-(prop-1-yn-2-yloxy)phenyl]prop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011721","","","0.71073","MoKα","","0.0573","0.0416","","","0.1079","0.1202","","","","","","1.033","","","","has coordinates,has disorder","296251","2024-12-06","02:47:40",""
"2023327","7.0271","0.0001","19.2243","0.0001","17.7558","0.0001","90","","97.332","0.001","90","","2379.04","0.04","100","0.4","100","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,3,4,4,5,5-Heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene","","- C20 H9 F21 O3 -","- C20 H9 F21 O3 -","- C80 H36 F84 O12 -","4","1","HB8112","Peloquin, Andrew J.; Balaich, Gary J.; Jennings, Abby R.","Crystal structure and Hirshfeld surface analysis of 1,3,3,4,4,5,5-heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011484","","x-ray","1.54184","CuKα","","0.0402","0.0373","","","0.0868","0.0879","","","","","","1.0712","","","","has coordinates","296252","2024-12-06","02:48:00",""
"2023330","8.4947","0.0004","8.3064","0.0005","21.6425","0.0014","90","","96.15","0.005","90","","1518.31","0.15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[bis(<i>N</i>,<i>O</i>-dimethylhydroxylammonium) [di-μ-bromido-dibromidostannate(II)]]","","- C4 H16 Br4 N2 O2 Sn -","- C4 H16 Br4 N2 O2 Sn -","- C16 H64 Br16 N8 O8 Sn4 -","4","0.5","WM5741","Sirenko, Valerii Y.; Apostu, Mircea-Odin; Golenya, Irina A.; Naumova, Dina D.; Partsevska, Sofiia V.","Crystal structure of catena-poly[bis(N,O-dimethylhydroxylammonium) [di-μ-bromido-dibromidostannate(II)]]","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024012027","","x-ray","0.71073","MoKα","","0.0745","0.0457","","","0.0788","0.0905","","","","","","1.058","","","","has coordinates","296869","2024-12-14","02:52:55",""
"2023331","9.1493","0.0002","12.3058","0.0003","20.1432","0.0005","76.076","0.002","84.791","0.002","71.829","0.002","2091.19","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","4-{[(4-{[1-({[(3,4-Dimethoxyphenyl)methyl](3-acetamidophenyl)carbamoyl}methyl)-1<i>H</i>-1,2,3-triazol-4-yl]methoxy}-3-methoxyphenyl)methyl]amino}benzoic acid–acetonitrile–water (1/2/2)","","- C41 H48 N8 O10 -","- C41 H48 N8 O10 -","- C82 H96 N16 O20 -","2","1","EV2012","Filley, Jonathan","Binary solvent participation in crystals of a multi-aromatic 1,2,3-triazole","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011915","","","1.54184","CuKα","","0.0521","0.0452","","","0.1217","0.1301","","","","","","1.038","","","","has coordinates","296870","2024-12-14","02:53:37",""
"2023332","7.9334","0.0002","15.4735","0.0006","15.4898","0.0006","90","","90","","90","","1901.49","0.11","170.15","","170.15","","","","","","","","","5","C m c e","-C 2ac 2","64","","Poly[di-μ-bromido-(μ-2,5-dimethylpyrazine)cadmium(II)]","","- C6 H8 Br2 Cd N2 -","- C6 H8 Br2 Cd N2 -","- C48 H64 Br16 Cd8 N16 -","8","0.5","HB8115","Näther, Christian","Synthesis, crystal structure and thermal properties of poly[di-μ-bromido-(μ-2,5-dimethylpyrazine)cadmium(II)]","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011824","","","0.71073","MoKα","","0.0394","0.0326","","","0.0835","0.0875","","","","","","1.132","","","","has coordinates","296871","2024-12-14","02:54:24",""
"2023333","9.3994","0.0002","10.8016","0.0003","15.2355","0.0004","104.272","0.002","99.186","0.002","101.529","0.002","1432.86","0.07","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido{1,1'-[(3-fluorophenyl)methylene]bis[3-(3-fluorophenyl)imidazo[1,5-<i>a</i>]pyridine]-κ^2^<i>N</i>,<i>N</i>'}copper(II)","","- C33 H21 Cl2 Cu F3 N4 -","- C33 H21 Cl2 Cu F3 N4 -","- C66 H42 Cl4 Cu2 F6 N8 -","2","1","WM5742","Le Thi Hong, Hai; Nguyen Van, Hau; Hoang Tuan, Duong; Tran Quang, Hung; Dang Thanh, Tuan; Van Meervelt, Luc","Syntheses, structures and anticancer activities of CuII and ZnII complexes containing 1,1′-[(3-fluorophenyl)methylene]bis[3-(3-fluorophenyl)imidazo[1,5-a]pyridine]","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011617","","x-ray","0.71073","MoKα","","0.0451","0.0352","","","0.0827","0.0889","","","","","","1.07","","","","has coordinates","296872","2024-12-14","02:55:39",""
"2023334","8.1431","0.0002","8.8362","0.0002","25.1787","0.0007","90","","97.264","0.002","90","","1797.17","0.08","100.02","0.1","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(2-iodoethylammonium) [di-μ-iodido-diiodidogermanate(II)]]","","- C4 H14 Ge I6 N2 -","- C4 H14 Ge I6 N2 -","- C16 H56 Ge4 I24 N8 -","4","1","OO2009","Kucheriv, Olesia I.; Apostu, Mircea-Odin; Prysiazhna, Olena; Potaskalov, Vadim A.; Malinkin, Sergey O.","Crystal structure and Hirshfeld surface analysis of the layered hybrid metal halide poly[bis(2-iodoethylammonium) [di-μ-iodido-diiodidogermanate(II)]]","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011800","","","0.71073","MoKα","","0.0421","0.0352","","","0.0861","0.0917","","","","","","1.189","","","","has coordinates","296873","2024-12-14","02:55:55",""
"2023335","5.195","0.0002","10.0347","0.0003","18.909","0.0006","90","","91.892","0.003","90","","985.19","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κ<i>O</i>}cobalt(II)","","- C10 H18 Co N4 O8 S4 -","- C10 H18 Co N4 O8 S4 -","- C20 H36 Co2 N8 O16 S8 -","2","0.5","WM5739","Kinshakova, Ekaterina; Torambetov, Batirbay; Kaur, Simranjeet; Ashurov, Jamshid; Kadirova, Shakhnoza","Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κO}cobalt(II)","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011939","","x-ray","1.54184","CuKα","","0.045","0.0376","","","0.0911","0.0984","","","","","","1.064","","","","has coordinates","296911","2024-12-18","03:07:16",""
"2023336","20.1106","0.0012","9.2112","0.0004","19.2309","0.0012","90","","116.353","0.006","90","","3192.2","0.4","220","2","220.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[bis(4-methylpyridine-κ<i>N</i>)cobalt(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","","- C14 H14 Co N4 S2 -","- C14 H14 Co N4 S2 -","- C112 H112 Co8 N32 S16 -","8","1","OX2010","Näther, Christian; Boeckmann, Jan","Synthesis, crystal structure and properties of catena-poly[[bis(4-methylpyridine-κN)cobalt(II)]-di-μ-thiocyanato-κ2 N:S;κ2 S:N], which shows a rare coordination geometry","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024012003","","","0.71073","MoKα","","0.0427","0.0346","","","0.0902","0.0948","","","","","","1.041","","","","has coordinates","296912","2024-12-18","03:08:28",""
"2023337","29.0324","0.0008","9.1477","0.0002","15.0296","0.0004","90","","108.533","0.001","90","","3784.56","0.17","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 Br F4 I2 N -","- C15 H20 Br F4 I2 N -","- C120 H160 Br8 F32 I16 N8 -","8","1","YZ2062","Gurbanov, Atash V.; Hökelek, Tuncer; Mammadova, Gunay Z.; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.","Crystal structure and Hirshfeld surface analysis of supramolecular aggregate of 2,2,6,6-tetramethylpiperidin-1-ium bromide with 1,2,3,4-tetrafluoro-5,6-diiodobenzene","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011502","","","0.71073","MoKα","","0.0312","0.0262","","","0.067","0.0692","","","","","","1.1","","","","has coordinates","296913","2024-12-18","03:09:05",""
"2023338","16.2304","0.0009","6.5804","0.0003","13.2222","0.0007","90","","107.156","0.006","90","","1349.33","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Nitrophenyl)-2-(piperidin-1-yl)acetamide","","- C13 H17 N3 O3 -","- C13 H17 N3 O3 -","- C52 H68 N12 O12 -","4","1","VM2309","Maimoune, Imane; Kariuki, Benson M.; El Moutaouakil Ala Allah, Abderrazzak; Nchioua, Intissar; Alsubari, Abdulsalam; Mague, Joel T.; Zarrouk, Abdelkader; Ramli, Youssef","Crystal structure and Hirshfeld surface analysis of N-(4-nitrophenyl)-2-(piperidin-1-yl)acetamide (lidocaine analogue)","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S205698902401185X","","","0.71073","MoKα","","0.0833","0.0585","","","0.1625","0.1799","","","","","","1.058","","","","has coordinates","296958","2024-12-24","02:55:20",""
"2023339","6.813","0.004","8.058","0.004","16.011","0.009","101.781","0.007","91.365","0.007","92.345","0.007","859.3","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ-aqua-diaqua{μ~4~-2,2'-[terephthaloylbis(azanediyl)]diacetato}barium(II)] dihydrate]","","- C12 H20 Ba N2 O11 -","- C12 H20 Ba N2 O11 -","- C24 H40 Ba2 N4 O22 -","2","1","VX3009","Zhao, Xin-Yi; Yu, Hai-Yan; Zhang, Hong-Tao","A twofold interpenetrated three-dimensional barium(II) metal–organic framework constructed from 2,2′-[terephthaloylbis(azanediyl)]diacetate: synthesis, structure, dihydrogen bonding and spectroscopic properties","Acta Crystallographica Section C Structural Chemistry","2025","81","1","43","53","10.1107/S205322962401235X","","","0.71073","MoKα","","0.0693","0.0426","","","0.0722","0.082","","","","","","0.964","","","","has coordinates,has Fobs","297027","2025-01-01","03:27:37",""
"2023340","9.8527","0.0001","28.716","0.0003","10.7754","0.0001","90","","109.085","0.002","90","","2881.11","0.06","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>anti</i>-4-(1^9^<i>H</i>,5^9^<i>H</i>-3-Aza-1,5(3,9)-dicarbazolacyclooctaphane-3-yl)benzonitrile (host molecule) dichloromethane monosolvate","10-(4-Cyanophenyl)-10,11,22,23-tetrahydro-9<i>H</i>,21<i>H</i>-5,8:15,12-bis(metheno)[1,5,11]triazacyclohexadecino[1,16-<i>a</i>:5,6-<i>a</i>']diindole dichloromethane monosolvate","","- C37 H30 Cl2 N4 -","- C37 H30 Cl2 N4 -","- C148 H120 Cl8 N16 -","4","1","OX2009","Kubono, Koji; Tani, Keita; Kashiwagi, Yukiyasu","Synthesis and crystal structure of anti-10-(4-cyanophenyl)-10,11,22,23-tetrahydro-9H,21H-5,8:15,12-bis(metheno)[1,5,11]triazacyclohexadecino[1,16-a:5,6-a′]diindole dichloromethane monosolvate","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","20","23","10.1107/S2056989024011782","","x-ray","1.54184","CuKα","","0.0374","0.0344","","","0.0884","0.0904","","","","","","1.053","","","","has coordinates","297028","2025-01-01","03:34:55",""
"2023341","9.0136","0.0001","8.1561","0.0001","10.8718","0.0001","90","","95.778","0.001","90","","795.189","0.015","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","Luliconazole","(<i>E</i>)-[(4<i>R</i>)-4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene](1<i>H</i>-imidazol-1-yl)acetonitrile","","- C14 H9 Cl2 N3 S2 -","- C14 H9 Cl2 N3 S2 -","- C28 H18 Cl4 N6 S4 -","2","1","VM2310","Ben, Anna; Chęcińska, Lilianna","Crystal structure of luliconazole","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","24","28","10.1107/S2056989024011812","","x-ray","1.54184","CuKα","","0.0256","0.0249","","","0.0688","0.0693","","","","","","1.065","","","","has coordinates,has disorder","297029","2025-01-01","03:35:39",""
"2023342","7.9935","0.0006","8.3181","0.0006","12.1998","0.0009","108.308","0.007","102.767","0.007","99.145","0.006","727.87","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)nickel(II)]-μ~2~-sulfato-κ^2^<i>O</i>^3^:<i>O</i>^4^]","","- C10 H24 N4 Ni O4 S -","- C10 H24 N4 Ni O4 S -","- C20 H48 N8 Ni2 O8 S2 -","2","1","HB8118","Tsymbal, Liudmyla V.; Andriichuk, Irina L.; Bahrin, Lucian G.; Lampeka, Yaroslaw D.","Syntheses and structures of two coordination polymers formed by Ni(cyclam)2+ cations and sulfate anions","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989024012337","","x-ray","0.71073","MoKα","","0.053","0.0379","","","0.0716","0.0795","","","","","","1.019","","","","has coordinates","297060","2025-01-04","02:37:28",""
"2023343","12.1299","0.0005","18.5163","0.0011","35.621","0.002","90","","94.777","0.004","90","","7972.7","0.7","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-Poly[[[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)nickel(II)]-μ~2~-sulfato-κ^2^<i>O</i>^3^:<i>O</i>^4^] hemi[4,4',4'',4'''-(2,2',4,4',6,6'-hexamethyl-[1,1'-biphenyl]-3,3',5,5'-tetrayl)tetrabenzoic acid] nonahydrate]","","- C66 H86 N8 Ni2 O16 S2 -","- C66 H86 N8 Ni2 O16 S2 -","- C264 H344 N32 Ni8 O64 S8 -","4","0.5","HB8118","Tsymbal, Liudmyla V.; Andriichuk, Irina L.; Bahrin, Lucian G.; Lampeka, Yaroslaw D.","Syntheses and structures of two coordination polymers formed by Ni(cyclam)2+ cations and sulfate anions","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989024012337","","x-ray","0.71073","MoKα","","0.1881","0.0769","","","0.096","0.1228","","","","","","0.985","","","","has coordinates,has disorder","297060","2025-01-04","02:37:29",""
"2023344","9.3527","0.0001","9.9701","0.0001","17.0496","0.0002","90","","90","","90","","1589.83","0.03","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","Ooly[di-μ~2~-nitrato-μ~2~-urea-strontium(II)]","","- C H4 N4 O7 Sr -","- C H4 N4 O7 Sr -","- C8 H32 N32 O56 Sr8 -","8","1","TX2092","Bektursinova, Aysanem; Djumanazarova, Zulfiya; Uzakbergenova, Zamira; Ashurov, Jamshid; Khan, Akram A.; Kadirova, Shakhnoza; Torambetov, Batirbay","Synthesis, crystal structure and Hirshfeld surface analysis of [Sr(urea)(NO3)2] n","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989024012386","","x-ray","1.54184","CuKα","","0.0213","0.0209","","","0.0544","0.0548","","","","","","1.07","","","","has coordinates","297206","2025-01-08","02:36:43",""
"2023345","7.0105","0.0004","13.2765","0.0008","8.1311","0.0005","90","","114.808","0.003","90","","686.96","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Nitrobenzo[<i>c</i>][1,2,5]selenadiazole","","- C6 H3 N3 O2 Se -","- C6 H3 N3 O2 Se -","- C24 H12 N12 O8 Se4 -","4","1","VU2008","Gurbanov, Atash V.; Hökelek, Tuncer; Mammadova, Gunay Z.; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.","Crystal structure, Hirshfeld surface analysis and crystal voids of 4-nitrobenzo[c][1,2,5]selenadiazole","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989024012398","","","0.71073","MoKα","","0.0507","0.0435","","","0.1013","0.1038","","","","","","1.172","","","","has coordinates","297207","2025-01-08","02:37:00",""
"2023346","11.413","0.0001","17.1627","0.0001","31.7109","0.0002","90","","90","","90","","6211.46","0.08","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(2,9-Dimethyl-1,10-phenanthroline)bis[2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate","","- C36 H28 F6 Ir N4 P -","- C36 H28 F6 Ir N4 P -","- C288 H224 F48 Ir8 N32 P8 -","8","1","ZV2036","Gienau, Trevor J.; Clay, Malachi; Brennessel, William W.; Reed, Carly R.","(2,9-Dimethyl-1,10-phenanthroline)bis[2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate and (2,9-dimethyl-1,10-phenanthroline)bis[5-methyl-2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate–diethyl ether–acetonitrile (1/0.61/0.78)","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989024012039","","x-ray","1.54184","CuKα","","0.0245","0.0241","","","0.0595","0.0598","","","","","","1.164","","","","has coordinates","297318","2025-01-15","02:28:45",""
"2023347","9.17379","0.00007","13.10065","0.00009","16.55352","0.00014","74.8888","0.0006","78.9993","0.0007","88.7599","0.0006","1884.53","0.03","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","(2,9-Dimethyl-1,10-phenanthroline)bis[5-methyl-2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate–diethyl ether–acetonitrile (1/0.61/0.78)","","- C42 H40.44 F6 Ir N4.78 O0.61 P -","- C42 H40.44 F6 Ir N4.78 O0.61 P -","- C84 H80.88 F12 Ir2 N9.56 O1.22 P2 -","2","1","ZV2036","Gienau, Trevor J.; Clay, Malachi; Brennessel, William W.; Reed, Carly R.","(2,9-Dimethyl-1,10-phenanthroline)bis[2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate and (2,9-dimethyl-1,10-phenanthroline)bis[5-methyl-2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate–diethyl ether–acetonitrile (1/0.61/0.78)","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989024012039","","x-ray","1.54184","CuKα","","0.027","0.0259","","","0.0661","0.0667","","","","","","1.039","","","","has coordinates,has disorder","297318","2025-01-15","02:28:46",""
"2023348","7.0317","0.0001","9.78938","0.00018","14.444","0.0003","87.5944","0.0015","84.7254","0.0013","72.0372","0.0014","941.7","0.03","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","1-(4-Bromophenyl)-2,2-dichloroethan-1-one","","- C8 H5 Br Cl2 O -","- C8 H5 Br Cl2 O -","- C32 H20 Br4 Cl8 O4 -","4","2","NX2018","Gurbanov, Atash V.; Guseinov, Firudin I.; Samigullina, Aida I.; Hökelek, Tuncer; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.","Syntheses, crystal structures, Hirshfeld surface analyses and crystal voids of 1-(4-bromophenyl)-2,2-dichloroethan-1-one and 2,2-dibromo-1-(p-tolyl)ethan-1-one","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S205698902500012X","","x-ray","1.54184","CuKα","","0.0313","0.031","","","0.0846","0.0848","","","","","","1.1","","","","has coordinates","297319","2025-01-15","02:29:09",""
"2023349","6.6243","0.0001","9.9574","0.0001","14.3804","0.0002","90","","92.52","0.001","90","","947.63","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2-Dibromo-1-(<i>p</i>-tolyl)ethan-1-one","2,2-Dibromo-1-(4-methylphenyl)ethan-1-one","","- C9 H8 Br2 O -","- C9 H8 Br2 O -","- C36 H32 Br8 O4 -","4","1","NX2018","Gurbanov, Atash V.; Guseinov, Firudin I.; Samigullina, Aida I.; Hökelek, Tuncer; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.","Syntheses, crystal structures, Hirshfeld surface analyses and crystal voids of 1-(4-bromophenyl)-2,2-dichloroethan-1-one and 2,2-dibromo-1-(p-tolyl)ethan-1-one","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S205698902500012X","","x-ray","1.54184","CuKα","","0.0274","0.0268","","","0.0701","0.0705","","","","","","1.075","","","","has coordinates","297319","2025-01-15","02:29:10",""
"2023350","15.7143","0.0005","11.6386","0.0004","13.0138","0.0005","90","","115.227","0.002","90","","2153.12","0.14","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) perchlorate","","- C24 H16 Cl2 Cu N4 O4 -","- C24 H16 Cl2 Cu N4 O4 -","- C96 H64 Cl8 Cu4 N16 O16 -","4","0.5","WM5744","Plutenko, Maksym O.; Vynohradov, Oleksandr S.; Haukka, Matti; Golenya, Irina A.; Gaidai, Snizhana V.","Crystal structure and Hirshfeld surface analysis of a new polymorph of chloridobis(1,10-phenanthroline-κ2 N,N′)copper(II) perchlorate","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000209","","","0.71073","MoKα","","0.0614","0.0439","","","0.0965","0.1049","","","","","","1.06","","","","has coordinates","297320","2025-01-15","02:29:28",""
"2023351","7.5164","0.0005","7.8002","0.0005","15.1156","0.001","96.172","0.006","92.052","0.005","96.284","0.005","874.77","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichloridobis(isoquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II)","","- C18 H14 Cl2 N2 O2 Zn -","- C18 H14 Cl2 N2 O2 Zn -","- C36 H28 Cl4 N4 O4 Zn2 -","2","1","HB8119","Groneck, Erin N.; Peek, Nathan; Lynch, Will E.; Padgett, Clifford W.","Crystal structures of zinc(II) coordination complexes with isoquinoline N-oxide","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000180","","x-ray","0.71073","MoKα","","0.0747","0.0488","","","0.1087","0.1237","","","","","","1.062","","","","has coordinates","297321","2025-01-15","02:30:21",""
"2023352","17.1095","0.001","7.202","0.0006","14.9534","0.0011","90","","96.472","0.006","90","","1830.9","0.2","170","","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dibromidobis(isoquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II)","","- C18 H14 Br2 N2 O2 Zn -","- C18 H14 Br2 N2 O2 Zn -","- C72 H56 Br8 N8 O8 Zn4 -","4","0.5","HB8119","Groneck, Erin N.; Peek, Nathan; Lynch, Will E.; Padgett, Clifford W.","Crystal structures of zinc(II) coordination complexes with isoquinoline N-oxide","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000180","","x-ray","0.71073","MoKα","","0.0604","0.0519","","","0.1335","0.1407","","","","","","1.027","","","","has coordinates","297321","2025-01-15","02:30:25",""
"2023353","7.7325","0.0003","8.9596","0.0004","14.8297","0.0009","93.205","0.004","99.873","0.004","104.852","0.004","972.98","0.09","170","","170","","","","","","","","","6","P -1","-P 1","2","","Diiodidobis(isoquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II)","","- C18 H14 I2 N2 O2 Zn -","- C18 H14 I2 N2 O2 Zn -","- C36 H28 I4 N4 O4 Zn2 -","2","1","HB8119","Groneck, Erin N.; Peek, Nathan; Lynch, Will E.; Padgett, Clifford W.","Crystal structures of zinc(II) coordination complexes with isoquinoline N-oxide","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000180","","x-ray","0.71073","MoKα","","0.0248","0.0201","","","0.0463","0.0481","","","","","","1.032","","","","has coordinates","297321","2025-01-15","02:30:34",""
"2023354","12.8217","0.0004","12.8217","0.0004","26.5684","0.0009","90","","90","","120","","3782.6","0.2","170","","170","","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(isoquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II) bis(perchlorate)","","- C54 H42 Cl2 N6 O14 Zn -","- C54 H42 Cl2 N6 O14 Zn -","- C162 H126 Cl6 N18 O42 Zn3 -","3","0.166667","HB8119","Groneck, Erin N.; Peek, Nathan; Lynch, Will E.; Padgett, Clifford W.","Crystal structures of zinc(II) coordination complexes with isoquinoline N-oxide","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000180","","x-ray","0.71073","MoKα","","0.0301","0.0277","","","0.075","0.0767","","","","","","1.063","","","","has coordinates","297321","2025-01-15","02:30:34",""
"2023355","9.736","0.0009","11.591","0.0009","14.6381","0.001","74.352","0.006","74.62","0.007","81.633","0.007","1528.8","0.2","170","","170","","","","","","","","","5","P -1","-P 1","2","","Pentaaqua(isoquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II) dinitrate–isoquinoline <i>N</i>-oxide (1/2)","","- C27 H31 N5 O14 Zn -","- C27 H31 N5 O14 Zn -","- C54 H62 N10 O28 Zn2 -","2","1","HB8119","Groneck, Erin N.; Peek, Nathan; Lynch, Will E.; Padgett, Clifford W.","Crystal structures of zinc(II) coordination complexes with isoquinoline N-oxide","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000180","","x-ray","0.71073","MoKα","","0.0673","0.0444","","","0.0953","0.1059","","","","","","1.039","","","","has coordinates","297321","2025-01-15","02:30:35",""
"2023356","8.9895","0.0003","11.8589","0.0003","17.6765","0.0005","90","","102.419","0.0011","90","","1840.32","0.09","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,4'-Methylenebis(2,6-diethylaniline)","4,4'-(Methanediyl)bis(2,6-diethylaniline)","","- C21 H30 N2 -","- C21 H30 N2 -","- C84 H120 N8 -","4","1","NY2009","Smirnov, Daniil E.; Morozov, Oleg S.; Afanasyeva, Ekaterina S.; Avdeev, Viktor V.","Synthesis and crystal structures of 4,4′-methylenebis(2,6-diethylaniline) and 4,4′-methylenebis(3-chloro-2,6-diethylaniline)","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000234","","","1.54178","CuKα","","0.0525","0.0495","","","0.132","0.1345","","","","","","1.026","","","","has coordinates,has disorder","297375","2025-01-18","02:35:16",""
"2023357","8.993","0.003","9.654","0.0013","12.216","0.004","69.352","0.011","77.257","0.012","87.67","0.008","967.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4,4'-Methylenebis(3-chloro-2,6-diethylaniline)","4,4'-(MethAnediyl)bis(3-chloro-2,6-diethylaniline)","","- C21 H28 Cl2 N2 -","- C21 H28 Cl2 N2 -","- C42 H56 Cl4 N4 -","2","1","NY2009","Smirnov, Daniil E.; Morozov, Oleg S.; Afanasyeva, Ekaterina S.; Avdeev, Viktor V.","Synthesis and crystal structures of 4,4′-methylenebis(2,6-diethylaniline) and 4,4′-methylenebis(3-chloro-2,6-diethylaniline)","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000234","","","0.75268","synchrotron","","0.0643","0.0506","","","0.1375","0.1471","","","","","","1.05","","","","has coordinates,has disorder","297375","2025-01-18","02:35:19",""
"2023358","10.1221","0.0005","13.6533","0.0004","6.6248","0.0003","90","","90","","90","","915.55","0.07","295","","295","","","","","","","","","5","P b c m","-P 2c 2b","57","2-Methylquinazolin-4(3<i>H</i>)-one hydrochloride","2-Methyl-4-oxo-3,4-dihydroquinazolin-1-ium chloride","","- C9 H9 Cl N2 O -","- C9 H9 Cl N2 O -","- C36 H36 Cl4 N8 O4 -","4","0.5","WM5743","Davlatboev, Muzaffar; Allabergenova, Sevara; Zulpanov, Fazliddin; Yakubov, Ubaydullo; Tojiboev, Akmaljon; Sattarov, Tulkinjon","Crystal structure and Hirshfeld surface analysis of 2-methylquinazolin-4(3H)-one hydrochloride","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000258","","","1.54184","CuKα","","0.0503","0.0432","","","0.1251","0.1326","","","","","","1.0084","","","","has coordinates","297376","2025-01-18","02:35:41",""
"2023359","17.91596","0.00013","11.08917","0.00009","17.25666","0.00013","90","","90","","90","","3428.43","0.05","100.15","","100.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[(acetic acid)bis(μ-5-carboxythiophene-2-carboxylato)bis(μ-thiophene-2,5-dicarboxylato)dicerium(III)]","","- C26 H14 Ce2 O18 S4 -","- C26 H14 Ce2 O18 S4 -","- C104 H56 Ce8 O72 S16 -","4","1","NX2017","Ruser, Niklas; Näther, Christian; Stock, Norbert","Syntheses and crystal structures of the cerium-based coordination polymers poly[(acetic acid)bis(μ-5-carboxythiophene-2-carboxylato)bis(μ-thiophene-2,5-dicarboxylato)dicerium(III)] and poly[(μ-acetato)aqua(μ4-thiophene-2,5-dicarboxylato)cerium(III)]","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000210","","x-ray","1.54184","CuKα","","0.0241","0.024","","","0.0673","0.0673","","","","","","1.054","","","","has coordinates","297377","2025-01-18","02:36:04",""
"2023360","10.031","0.0001","14.6755","0.0001","7.6765","0.0001","90","","102.354","0.001","90","","1103.89","0.02","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ-acetato)aqua(μ~4~-thiophene-2,5-dicarboxylato)cerium(III)]","","- C8 H7 Ce O7 S -","- C8 H7 Ce O7 S -","- C32 H28 Ce4 O28 S4 -","4","1","NX2017","Ruser, Niklas; Näther, Christian; Stock, Norbert","Syntheses and crystal structures of the cerium-based coordination polymers poly[(acetic acid)bis(μ-5-carboxythiophene-2-carboxylato)bis(μ-thiophene-2,5-dicarboxylato)dicerium(III)] and poly[(μ-acetato)aqua(μ4-thiophene-2,5-dicarboxylato)cerium(III)]","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000210","","x-ray","1.54184","CuKα","","0.0266","0.0265","","","0.0771","0.0772","","","","","","1.153","","","","has coordinates","297377","2025-01-18","02:36:05",""
"2023361","8.5014","0.0002","12.8233","0.0003","13.6364","0.0003","107.689","0.002","107.067","0.002","92.749","0.002","1338.49","0.06","100","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","Tris(2-iodoethylammonium) hexaiodidobismuthate(III)","","- C6 H21 Bi I9 N3 -","- C6 H21 Bi I9 N3 -","- C12 H42 Bi2 I18 N6 -","2","1","WM5745","Kucheriv, Olesia I.; Ovdenko, Valeriia M.; Kuzevanova, Iryna S.; Golenya, Irina A.; Gural'skiy, Il'ya A.","Crystal structure and Hirshfeld surface analysis of the organic–inorganic hybrid compound tris(2-iodoethylammonium) hexaiodidobismuthate(III)","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000386","","","0.71073","MoKα","","0.0291","0.0247","","","0.0476","0.0491","","","","","","1.037","","","","has coordinates","297453","2025-01-24","03:09:54",""
"2023362","5.6812","0.00009","9.79735","0.00016","30.9679","0.0007","84.834","0.0016","86.9814","0.0016","83.8568","0.0014","1705.22","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2,2,2-Trichloroethyl <i>N</i>-{4-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]benzyl}carbamate","","- C14 H14 Cl3 N5 O3 -","- C14 H14 Cl3 N5 O3 -","- C56 H56 Cl12 N20 O12 -","4","2","DJ2079","Voss, J.; Stammler, H.G.; Sewald, N.","Synthesis and crystal structure of 2,2,2-trichloroethyl N-{4-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]benzyl}carbamate","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000441","","x-ray","1.54184","CuKα","","0.0715","0.0692","","","0.2018","0.2064","","","","","","1.046","","","","has coordinates,has disorder","297454","2025-01-24","03:10:09",""
"2023363","16.1416","0.0005","12.8991","0.0004","19.0656","0.0005","90","","107.416","0.001","90","","3787.71","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-Oxo-<i>N</i>-phenyl-3-(thiophen-2-yl)-2,3,4,5-tetrahydro-[1,1'-biphenyl]-4-carboxamide","","- C23 H19 N O2 S -","- C23 H19 N O2 S -","- C184 H152 N8 O16 S8 -","8","2","WM5747","Aliyeva, Khatira N.; Hökelek, Tuncer; Khrustalev, Victor N.; Rzayev, Rovnag M.; Bhattarai, Ajaya; Maharramov, Abel M.; Shikhaliyev, Namig G.","Synthesis, crystal structure and Hirshfeld surface analysis of 5-oxo-N-phenyl-3-(thiophen-2-yl)-2,3,4,5-tetrahydro-[1,1′-biphenyl]-4-carboxamide","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S205698902500057X","","","0.71073","MoKα","","0.0549","0.0495","","","0.1247","0.1285","","","","","","1.03","","","","has coordinates,has disorder","297518","2025-01-29","03:24:24",""
"2023364","17.2598","0.0003","10.0898","0.0001","13.181","0.0002","90","","90","","90","","2295.44","0.06","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","5,10-Bis(phenylsulfonyl)tetrahydrodibenzopentalene","8,16-Bis(benzenesulfonyl)tetracyclo[7.7.0.0^2,7^.0^10,15^]hexadeca-2,4,6,10(15),11,13-hexaene","","- C28 H22 O4 S2 -","- C28 H22 O4 S2 -","- C112 H88 O16 S8 -","4","1","OX2012","Sakami, Toshiki; Watanabe, Hikaru; Sato, Takuma; Okuda, Yasuhiro; Wakamatsu, Kan; Akashi, Haruo; Orita, Akihiro","Synthesis and crystal structure of 5,10-bis(phenylsulfonyl)tetrahydrodibenzopentalene","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S205698902500060X","","x-ray","0.71073","MoKα","","0.0346","0.0306","","","0.0796","0.0878","","","","","","1.125","","","","has coordinates","297519","2025-01-29","03:24:41",""
"2023365","7.4512","0.0005","14.7799","0.00012","15.8912","0.00011","90","","90","","90","","1750.07","0.12","99.9","0.4","99.9","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-1,3-dihydro-2<i>H</i>-benzo[<i>d</i>]imidazole-2-thione","","- C9 H10 N2 S -","- C9 H10 N2 S -","- C72 H80 N16 S8 -","8","2","PK2714","Gurbanov, Atash V.; Guseinov, Firudin I.; Samigullina, Aida I.; Hökelek, Tuncer; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.","Synthesis and crystal structure analysis of 1-ethyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000519","","x-ray","1.54184","CuKα","","0.0258","0.0257","","","0.0689","0.069","","","","","","1.063","","","","has coordinates","297520","2025-01-29","03:24:55",""
"2023366","6.5476","0.0002","5.991","0.0002","21.5676","0.0006","90","","96.02","0.002","90","","841.36","0.04","150","0.2","150","0.2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","Bis(2,3,5,6-tetramethylphenyl)phosphine","","- C20 H27 P -","- C20 H27 P -","- C40 H54 P2 -","2","0.5","OJ3027","Liu, Mo; Izod, Keith; Waddell, Paul G.","Polymorphism in a secondary phosphine","Acta Crystallographica Section C Structural Chemistry","2025","81","2","109","113","10.1107/S2053229625000555","","x-ray","1.54184","CuKα","","0.047","0.0393","","","0.1096","0.1181","","","","","","1.063","","","","has coordinates","297542","2025-01-31","02:49:22",""
"2023367","12.8874","0.0006","8.8455","0.0003","15.4635","0.0007","90","","104.108","0.005","90","","1709.6","0.13","150","0.2","150","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis(2,3,5,6-tetramethylphenyl)phosphine","","- C20 H27 P -","- C20 H27 P -","- C80 H108 P4 -","4","1","OJ3027","Liu, Mo; Izod, Keith; Waddell, Paul G.","Polymorphism in a secondary phosphine","Acta Crystallographica Section C Structural Chemistry","2025","81","2","109","113","10.1107/S2053229625000555","","x-ray","1.54184","CuKα","","0.061","0.0472","","","0.1242","0.1353","","","","","","1.056","","","","has coordinates,has disorder","297542","2025-01-31","02:49:23",""
"2023368","8.3728","0.0007","9.0819","0.0008","9.6533","0.0006","83.013","0.006","74.055","0.006","70.189","0.007","663.7","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Poly[[μ-aqua-aqua(μ~3~-6-chloro-1,1-dioxo-7-sulfamoyl-2<i>H</i>-1,2,4-benzothiadiazin-2-ido)sodium] hemihydrate]","","- C7 H10 Cl N3 Na O6.5 S2 -","- C7 H10 Cl N3 Na O6.5 S2 -","- C14 H20 Cl2 N6 Na2 O13 S4 -","2","1","QF3065","Brydson, Rowan K. H.; Gray, Morven L.; Kennedy, Alan R.; O'Hara, Benjamin C.; Reid, Michael W.; Ugbolue, Ifeka","On the deprotonation of chlorothiazide","Acta Crystallographica Section C Structural Chemistry","2025","81","2","102","108","10.1107/S2053229625000701","","","1.54184","CuKα","","0.0429","0.0419","","","0.1189","0.1208","","","","","","1.061","","","","has coordinates","297543","2025-01-31","02:49:51",""
"2023369","18.3139","0.0002","7.3622","0.0001","19.967","0.0002","90","","99.734","0.001","90","","2653.4","0.05","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Poly[[diaqua(μ~4~-6-chloro-1,1-dioxo-7-sulfamoyl-2<i>H</i>-1,2,4-benzothiadiazin-2-ido)potassium] hemihydrate]","","- C7 H10 Cl K N3 O6.5 S2 -","- C7 H10 Cl K N3 O6.5 S2 -","- C56 H80 Cl8 K8 N24 O52 S16 -","8","1","QF3065","Brydson, Rowan K. H.; Gray, Morven L.; Kennedy, Alan R.; O'Hara, Benjamin C.; Reid, Michael W.; Ugbolue, Ifeka","On the deprotonation of chlorothiazide","Acta Crystallographica Section C Structural Chemistry","2025","81","2","102","108","10.1107/S2053229625000701","","","1.54184","CuKα","","0.0219","0.0215","","","0.0615","0.0617","","","","","","1.074","","","","has coordinates","297543","2025-01-31","02:49:52",""
"2023370","7.7126","0.00001","9.0593","0.00001","10.1381","0.00001","93.976","0.0001","107.539","0.0001","107.8","0.0001","632.841","0.0014","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Poly[[aqua(μ~5~-6-chloro-1,1-dioxo-7-sulfamoyl-2<i>H</i>-1,2,4-benzothiadiazin-2-ido)caesium]","","- C7 H7 Cl Cs N3 O5 S2 -","- C7 H7 Cl Cs N3 O5 S2 -","- C14 H14 Cl2 Cs2 N6 O10 S4 -","2","1","QF3065","Brydson, Rowan K. H.; Gray, Morven L.; Kennedy, Alan R.; O'Hara, Benjamin C.; Reid, Michael W.; Ugbolue, Ifeka","On the deprotonation of chlorothiazide","Acta Crystallographica Section C Structural Chemistry","2025","81","2","102","108","10.1107/S2053229625000701","","","1.54184","CuKα","","0.0358","0.0358","","","0.0947","0.0947","","","","","","1.112","","","","has coordinates","297543","2025-01-31","02:49:53",""
"2023371","4.7217","0.0003","26.167","0.002","16.7888","0.0012","90","","98.082","0.005","90","","2053.7","0.3","301.57","","301.57","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Mebendazolium and dihydrogen phosphate–phosphoric acid (1/1)","5-Benzoyl-2-[(methoxycarbonyl)amino]-1<i>H</i>-1,3-benzodiazol-3-ium dihydrogen phosphate–phosphoric acid (1/1)","","- C16 H19 N3 O11 P2 -","- C16 H19 N3 O11 P2 -","- C64 H76 N12 O44 P8 -","4","1","JQ2039","Gutiérrez, Eduardo L; Russo, Marcos G.; Narda, Griselda E.; Brusau, Elena V.; Ayala, Alejandro P.; Ellena, Javier","Supra-molecular assembly of mebendazolium and di-hydrogen phosphate ions in a new anthelmintic salt.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","195","199","10.1107/S2056989025000714","","x-ray","1.54178","CuKα","","0.0576","0.0437","","","0.0956","0.1049","","","","","","1.059","","","","has coordinates","299188","2025-04-05","11:38:52",""
"2023372","7.9312","0.0005","8.5664","0.0006","10.1483","0.0007","88.993","0.006","88.01","0.006","77.063","0.006","671.55","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(<i>tert</i>-Butyldiisopropylphosphine selenide-κ<i>Se</i>)dichloridopalladium(II)","","- C20 H46 Cl2 P2 Pd Se2 -","- C20 H46 Cl2 P2 Pd Se2 -","- C20 H46 Cl2 P2 Pd Se2 -","1","0.5","YZ2063","Upmann, Daniel; Jones, Peter G.","Crystal structures of six complexes of phosphane chalcogenides <i>R</i> <sup>1</sup> <i>R</i> <sup>2</sup> <i>R</i> <sup>3</sup>P<i>E</i> (<i>R</i> = <i>tert</i>-butyl or isopropyl, <i>E</i> = S or Se) with the metal halides <i>MX</i> <sub>2</sub> (<i>M</i> = Pd or Pt, <i>X</i> = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( <sup><i>t</i></sup> Bu<sub>2</sub> <sup>i</sup>PrP<i>E</i>Br)<sub>2</sub>[Pd<sub>2</sub>Br<sub>6</sub>] and one hydrolysis product.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","183","194","10.1107/S2056989025000805","","","0.71073","MoKα","","0.0557","0.0364","","","0.0706","0.078","","","","","","1.037","","","","has coordinates","299189","2025-04-05","11:39:40",""
"2023373","15.3744","0.0004","13.2969","0.0002","16.0503","0.0003","90","","117.306","0.003","90","","2915.57","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Di-<i>tert</i>-butylisopropylphosphine selenide-κ<i>Se</i>)dichloridopalladium(II)","","- C22 H50 Cl2 P2 Pd Se2 -","- C22 H50 Cl2 P2 Pd Se2 -","- C88 H200 Cl8 P8 Pd4 Se8 -","4","1","YZ2063","Upmann, Daniel; Jones, Peter G.","Crystal structures of six complexes of phosphane chalcogenides <i>R</i> <sup>1</sup> <i>R</i> <sup>2</sup> <i>R</i> <sup>3</sup>P<i>E</i> (<i>R</i> = <i>tert</i>-butyl or isopropyl, <i>E</i> = S or Se) with the metal halides <i>MX</i> <sub>2</sub> (<i>M</i> = Pd or Pt, <i>X</i> = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( <sup><i>t</i></sup> Bu<sub>2</sub> <sup>i</sup>PrP<i>E</i>Br)<sub>2</sub>[Pd<sub>2</sub>Br<sub>6</sub>] and one hydrolysis product.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","183","194","10.1107/S2056989025000805","","","0.71073","MoKα","","0.0477","0.0321","","","0.0629","0.0679","","","","","","1.041","","","","has coordinates","299189","2025-04-05","11:39:51",""
"2023374","15.3561","0.0006","13.4695","0.0004","16.1371","0.0006","90","","116.558","0.005","90","","2985.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dibromido(di-<i>tert</i>-butylisopropylphosphine selenide-κ<i>Se</i>)palladium(II)","","- C22 H50 Br2 P2 Pd Se2 -","- C22 H50 Br2 P2 Pd Se2 -","- C88 H200 Br8 P8 Pd4 Se8 -","4","1","YZ2063","Upmann, Daniel; Jones, Peter G.","Crystal structures of six complexes of phosphane chalcogenides <i>R</i> <sup>1</sup> <i>R</i> <sup>2</sup> <i>R</i> <sup>3</sup>P<i>E</i> (<i>R</i> = <i>tert</i>-butyl or isopropyl, <i>E</i> = S or Se) with the metal halides <i>MX</i> <sub>2</sub> (<i>M</i> = Pd or Pt, <i>X</i> = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( <sup><i>t</i></sup> Bu<sub>2</sub> <sup>i</sup>PrP<i>E</i>Br)<sub>2</sub>[Pd<sub>2</sub>Br<sub>6</sub>] and one hydrolysis product.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","183","194","10.1107/S2056989025000805","","","0.71073","MoKα","","0.0577","0.039","","","0.076","0.0827","","","","","","1.04","","","","has coordinates","299189","2025-04-05","11:40:02",""
"2023375","7.8595","0.0003","17.5019","0.0006","10.674","0.0003","90","","94.551","0.003","90","","1463.65","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibromido(di-<i>tert</i>-butylisopropylphosphine sulfide-κ<i>S</i>)palladium(II)","","- C22 H50 Br2 P2 Pd S2 -","- C22 H50 Br2 P2 Pd S2 -","- C44 H100 Br4 P4 Pd2 S4 -","2","0.5","YZ2063","Upmann, Daniel; Jones, Peter G.","Crystal structures of six complexes of phosphane chalcogenides <i>R</i> <sup>1</sup> <i>R</i> <sup>2</sup> <i>R</i> <sup>3</sup>P<i>E</i> (<i>R</i> = <i>tert</i>-butyl or isopropyl, <i>E</i> = S or Se) with the metal halides <i>MX</i> <sub>2</sub> (<i>M</i> = Pd or Pt, <i>X</i> = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( <sup><i>t</i></sup> Bu<sub>2</sub> <sup>i</sup>PrP<i>E</i>Br)<sub>2</sub>[Pd<sub>2</sub>Br<sub>6</sub>] and one hydrolysis product.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","183","194","10.1107/S2056989025000805","","","0.71073","MoKα","","0.0509","0.0392","","","0.0624","0.0648","","","","","","1.219","","","","has coordinates","299189","2025-04-05","11:40:12",""
"2023376","14.5283","0.0003","14.4191","0.0003","13.9428","0.0004","90","","94.571","0.003","90","","2911.52","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido(di-<i>tert</i>-butylisopropylphosphine sulfide-κ<i>S</i>)palladium(II)","","- C22 H50 Cl2 P2 Pt S2 -","- C22 H50 Cl2 P2 Pt S2 -","- C88 H200 Cl8 P8 Pt4 S8 -","4","1","YZ2063","Upmann, Daniel; Jones, Peter G.","Crystal structures of six complexes of phosphane chalcogenides <i>R</i> <sup>1</sup> <i>R</i> <sup>2</sup> <i>R</i> <sup>3</sup>P<i>E</i> (<i>R</i> = <i>tert</i>-butyl or isopropyl, <i>E</i> = S or Se) with the metal halides <i>MX</i> <sub>2</sub> (<i>M</i> = Pd or Pt, <i>X</i> = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( <sup><i>t</i></sup> Bu<sub>2</sub> <sup>i</sup>PrP<i>E</i>Br)<sub>2</sub>[Pd<sub>2</sub>Br<sub>6</sub>] and one hydrolysis product.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","183","194","10.1107/S2056989025000805","","","0.71073","MoKα","","0.0492","0.0256","","","0.0473","0.0546","","","","","","1.043","","","","has coordinates","299189","2025-04-05","11:40:21",""
"2023377","6.9753","0.0004","8.7642","0.0005","13.0718","0.0007","88.93","0.006","78.488","0.006","79.804","0.007","770.56","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-chlorido-bis[(<i>tert</i>-butyldiisopropylphosphine sulfide-κ<i>S</i>)chloridopalladium(II)]","","- C20 H46 Cl4 P2 Pd2 S2 -","- C20 H46 Cl4 P2 Pd2 S2 -","- C20 H46 Cl4 P2 Pd2 S2 -","1","0.5","YZ2063","Upmann, Daniel; Jones, Peter G.","Crystal structures of six complexes of phosphane chalcogenides <i>R</i> <sup>1</sup> <i>R</i> <sup>2</sup> <i>R</i> <sup>3</sup>P<i>E</i> (<i>R</i> = <i>tert</i>-butyl or isopropyl, <i>E</i> = S or Se) with the metal halides <i>MX</i> <sub>2</sub> (<i>M</i> = Pd or Pt, <i>X</i> = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( <sup><i>t</i></sup> Bu<sub>2</sub> <sup>i</sup>PrP<i>E</i>Br)<sub>2</sub>[Pd<sub>2</sub>Br<sub>6</sub>] and one hydrolysis product.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","183","194","10.1107/S2056989025000805","","","0.71073","MoKα","","0.0386","0.0286","","","0.0557","0.0589","","","","","","1.051","","","","has coordinates","299189","2025-04-05","11:40:24",""
"2023378","7.8691","0.0004","22.7255","0.0008","10.5879","0.0003","90","","98.386","0.003","90","","1873.18","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Bromosulfanyl)di-<i>tert</i>-butylisopropylphosphanium di-μ-bromido-bis[dibromidopalladium(II)]","","- C22 H50 Br8 P2 Pd2 S2 -","- C22 H50 Br8 P2 Pd2 S2 -","- C44 H100 Br16 P4 Pd4 S4 -","2","0.5","YZ2063","Upmann, Daniel; Jones, Peter G.","Crystal structures of six complexes of phosphane chalcogenides <i>R</i> <sup>1</sup> <i>R</i> <sup>2</sup> <i>R</i> <sup>3</sup>P<i>E</i> (<i>R</i> = <i>tert</i>-butyl or isopropyl, <i>E</i> = S or Se) with the metal halides <i>MX</i> <sub>2</sub> (<i>M</i> = Pd or Pt, <i>X</i> = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( <sup><i>t</i></sup> Bu<sub>2</sub> <sup>i</sup>PrP<i>E</i>Br)<sub>2</sub>[Pd<sub>2</sub>Br<sub>6</sub>] and one hydrolysis product.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","183","194","10.1107/S2056989025000805","","","0.71073","MoKα","","0.0622","0.0421","","","0.0668","0.0716","","","","","","1.105","","","","has coordinates,has disorder","299189","2025-04-05","11:40:25",""
"2023379","19.355","0.0006","14.8165","0.0002","16.3047","0.0005","90","","125.957","0.005","90","","3784.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Bromoselanyl)di-<i>tert</i>-butylisopropylphosphanium di-μ-bromido-bis[dibromidopalladium(II)]","","- C22 H50 Br8 P2 Pd2 Se2 -","- C22 H50 Br8 P2 Pd2 Se2 -","- C88 H200 Br32 P8 Pd8 Se8 -","4","0.5","YZ2063","Upmann, Daniel; Jones, Peter G.","Crystal structures of six complexes of phosphane chalcogenides <i>R</i> <sup>1</sup> <i>R</i> <sup>2</sup> <i>R</i> <sup>3</sup>P<i>E</i> (<i>R</i> = <i>tert</i>-butyl or isopropyl, <i>E</i> = S or Se) with the metal halides <i>MX</i> <sub>2</sub> (<i>M</i> = Pd or Pt, <i>X</i> = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( <sup><i>t</i></sup> Bu<sub>2</sub> <sup>i</sup>PrP<i>E</i>Br)<sub>2</sub>[Pd<sub>2</sub>Br<sub>6</sub>] and one hydrolysis product.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","183","194","10.1107/S2056989025000805","","","0.71073","MoKα","","0.0507","0.0312","","","0.0521","0.0565","","","","","","1.037","","","","has coordinates","299189","2025-04-05","11:40:36",""
"2023380","7.56435","0.00006","10.0914","0.00009","24.1396","0.00019","90","","92.7641","0.0008","90","","1840.55","0.03","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[dimethyl(sulfanylidene)phosphinito-κ<i>Se</i>]\ bis(hydroxydiisopropylphosphine selenide-κ<i>Se</i>)palladium(II)","","- C24 H58 O4 P4 Pd Se4 -","- C24 H58 O4 P4 Pd Se4 -","- C48 H116 O8 P8 Pd2 Se8 -","2","0.5","YZ2063","Upmann, Daniel; Jones, Peter G.","Crystal structures of six complexes of phosphane chalcogenides <i>R</i> <sup>1</sup> <i>R</i> <sup>2</sup> <i>R</i> <sup>3</sup>P<i>E</i> (<i>R</i> = <i>tert</i>-butyl or isopropyl, <i>E</i> = S or Se) with the metal halides <i>MX</i> <sub>2</sub> (<i>M</i> = Pd or Pt, <i>X</i> = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( <sup><i>t</i></sup> Bu<sub>2</sub> <sup>i</sup>PrP<i>E</i>Br)<sub>2</sub>[Pd<sub>2</sub>Br<sub>6</sub>] and one hydrolysis product.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","183","194","10.1107/S2056989025000805","","","0.71073","MoKα","","0.0292","0.0219","","","0.0392","0.0409","","","","","","1.066","","","","has coordinates","299189","2025-04-05","11:40:37",""
"2023381","5.4003","0.0011","6.367","0.002","38.404","0.008","90","","90","","90","","1320.5","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Oxo-2<i>H</i>-chromen-4-yl 4-bromobenzoate","","- C16 H9 Br O4 -","- C16 H9 Br O4 -","- C64 H36 Br4 O16 -","4","1","HB8116","Bationo, Valentin; Kambo, Konan René; Sorgho, Brahima; Sombié, Charles Bavouma; Thiam, El Walda; Semdé, Rasmané; Djandé, Abdoulaye; Lecomte, Claude; Wenger, Emmanuel","Synthesis and structure of 2-oxo-2<i>H</i>-chromen-4-yl 4-bromo-benzoate: work carried out as part of the CNRS AFRAMED project.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","200","203","10.1107/S2056989025000246","","","0.71073","MoKα","","0.0301","0.0294","","","0.0636","0.0638","","","","","","1.11","","","","has coordinates","299179","2025-04-05","11:36:41",""
"2023382","6.886","0.001","6.945","0.001","12.0366","0.0015","85.543","0.005","84.371","0.005","83.981","0.005","568.37","0.14","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[tetraaquacobalt(II)]-μ~2~-1,5-dihydroxynaphthalene-2,6-dicarboxylato] dimethylformamide disolvate]","","- C18 H28 Co N2 O12 -","- C18 H28 Co N2 O12 -","- C18 H28 Co N2 O12 -","1","0.5","JP2016","Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro","Crystal structure of <i>catena</i>-poly[[[tetra-aquacobalt(II)]-μ<sub>2</sub>-1,5-di-hydroxy-naphthalene-2,6-di-carboxyl-ato] di-methyl-formamide disolvate].","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","204","207","10.1107/S2056989025000982","","","0.71075","MoKα","","0.0303","0.0279","","","0.0721","0.0743","","","","","","1.111","","","","has coordinates","299181","2025-04-05","11:37:19",""
"2023400","31.9237","0.0013","7.0199","0.0003","6.9184","0.0003","90","","91.864","0.001","90","","1549.6","0.11","299","2","299","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","4'-(Benzyloxy)-[1,1'-biphenyl]-3-carboxylic acid","3-[4-(Benzyloxy)phenyl]benzoic acid","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","NX2019","Kumar, M. Harish; Vinduvahini, M.; Srinivasa, H. T.; Devarajegowda, H. C.; Palakshamurthy, B. S.","Crystal structure, Hirshfeld surface analysis, DFT and mol-ecular docking studies of 4'-(benz-yloxy)-[1,1'-biphen-yl]-3-carb-oxy-lic acid.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","208","213","10.1107/S2056989025001021","","","0.71073","MoKα","","0.0868","0.0688","","","0.1527","0.162","","","","","","1.129","","","","has coordinates","299187","2025-04-05","11:38:44",""
"2023401","19.2056","0.0005","10.5517","0.0003","17.4704","0.0005","90","","107.512","0.001","90","","3376.32","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1',1''-[(2-Bromoethoxy)methanetriyl]tribenzene","","- C21 H19 Br O -","- C21 H19 Br O -","- C168 H152 Br8 O8 -","8","2","YY2014","Fischer, Julian; Hebenbrock, Marian","Synthesis and structure of 1,1',1''-[(2-bromo-eth-oxy)methane-tri-yl]tri-benzene and 1,1',1''-[(2-iodoeth-oxy)methane-tri-yl]tri-benzene.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","214","218","10.1107/S2056989025001124","","","0.71073","MoKα","","0.0377","0.0318","","","0.085","0.0883","","","","","","1.054","","","","has coordinates","299178","2025-04-05","11:36:26",""
"2023402","19.35","0.0006","10.5936","0.0003","17.5475","0.0006","90","","105.945","0.001","90","","3458.6","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1',1''-[(2-Iodoethoxy)methanetriyl]tribenzene","","- C21 H19 I O -","- C21 H19 I O -","- C168 H152 I8 O8 -","8","2","","Fischer, Julian; Hebenbrock, Marian","Synthesis and structure of 1,1',1''-[(2-bromo-eth-oxy)methane-tri-yl]tri-benzene and 1,1',1''-[(2-iodoeth-oxy)methane-tri-yl]tri-benzene.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","214","218","10.1107/S2056989025001124","","","0.71073","MoKα","","0.0217","0.0204","","","0.0532","0.0538","","","","","","1.101","","","","has coordinates","299178","2025-04-05","11:36:27",""
"2023403","7.142","0.003","8.824","0.004","10.255","0.005","101.566","0.013","107.022","0.014","97.55","0.01","592.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3-(4-Cyanothiophen-3-yl)-[1,2,4]selenadiazolo[4,5-<i>a</i>]pyridin-4-ium chloride","","- C11 H6 Cl N3 S Se -","- C11 H6 Cl N3 S Se -","- C22 H12 Cl2 N6 S2 Se2 -","2","1","TX2093","Sapronov, Alexander A.; Dukhnovsky, Evgeny A.; Kubasov, Alexey S.; Novikov, Alexander S.; Grishina, Maria M.; Dobrokhotova, Ekaterina V.; Komarovskikh, Milena R.; Shikhaliyev, Namiq Q.; Akkurt, Mehmet; Bhattarai, Ajaya; Tskhovrebov, Alexander G.","Synthesis, structural characterization, Hirshfeld surface analysis and QTAIM analysis of 3-(4-cyano-thio-phen-3-yl)-[1,2,4]selena-diazolo[4,5-<i>a</i>]pyridin-4-ium chloride.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","224","228","10.1107/S205698902500115X","","x-ray","0.71073","MoKα","","0.042","0.0336","","","0.0773","0.0806","","","","","","1.053","","","","has coordinates","299182","2025-04-05","11:37:33",""
"2023404","10.6205","0.0003","14.816","0.0004","12.7073","0.0003","90","","96.209","0.001","90","","1987.81","0.09","101","","101","","","","","","","","","3","P 1 21 1","P 2yb","4","Garciosone F","5,10-Dihydroxy-9-methoxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)-2H,6H-pyrano[3,2-b]xanthen-6-one","","- C24 H24 O6 -","- C24 H24 O6 -","- C96 H96 O24 -","4","2","DX2063","Saekee, Amporn; Kuhakarn, Chutima; Chakarawet, Khetpakorn; Hongthong, Sakchai","Synthesis and crystal structure of 5,10-dihy-droxy-9-meth-oxy-2,2-dimethyl-12-(2-methyl-but-3-en-2-yl)-2<i>H</i>,6<i>H</i>-pyrano[3,2-<i>b</i>]xanthen-6-one.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","219","223","10.1107/S2056989025001070","","","1.54178","CuKα","","0.0331","0.0308","","","0.0777","0.0791","","","","","","1.059","","","","has coordinates,has disorder","299185","2025-04-05","11:38:17",""
"2023405","9.3155","0.0005","22.2529","0.0013","8.2699","0.0003","90","","90.165","0.005","90","","1714.32","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[1-(2,3,4,5,6-Pentafluorophenyl)-2-phenylethyl]piperidin-1-ium chloride","","- C19 H19 Cl F5 N -","- C19 H19 Cl F5 N -","- C76 H76 Cl4 F20 N4 -","4","1","EE2011","Mewis, Ryan E.; Hulme, Matthew C.; Marron, Jack; Langley, Stuart K.; Sutcliffe, Oliver B.; Benjamin, Sophie L.","Synthesis and crystal structures of five fluorinated diphenidine derivatives.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","229","234","10.1107/S2056989025001288","","","0.71073","MoKα","","0.0862","0.0556","","","0.1082","0.1225","","","","","","1.013","","","","has coordinates","299190","2025-04-05","11:40:56",""
"2023406","7.9474","0.0003","12.7652","0.0005","15.3998","0.0007","90","","99.368","0.004","90","","1541.48","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1-(2,6-Difluorophenyl)-2-phenylethyl]dimethylazanium chloride","","- C16 H18 Cl F2 N -","- C16 H18 Cl F2 N -","- C64 H72 Cl4 F8 N4 -","4","1","EE2011","Mewis, Ryan E.; Hulme, Matthew C.; Marron, Jack; Langley, Stuart K.; Sutcliffe, Oliver B.; Benjamin, Sophie L.","Synthesis and crystal structures of five fluorinated diphenidine derivatives.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","229","234","10.1107/S2056989025001288","","","0.71073","MoKα","","0.0513","0.0398","","","0.0823","0.0876","","","","","","1.061","","","","has coordinates","299190","2025-04-05","11:41:06",""
"2023407","8.1365","0.0004","12.7421","0.001","16.0451","0.0008","88.059","0.005","82.349","0.004","86.14","0.005","1644.42","0.17","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","1-[1-(2,6-Difluorophenyl)-2-phenylethyl]pyrrolidin-1-ium chloride","","- C18 H20 Cl F2 N -","- C18 H20 Cl F2 N -","- C72 H80 Cl4 F8 N4 -","4","2","EE2011","Mewis, Ryan E.; Hulme, Matthew C.; Marron, Jack; Langley, Stuart K.; Sutcliffe, Oliver B.; Benjamin, Sophie L.","Synthesis and crystal structures of five fluorinated diphenidine derivatives.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","229","234","10.1107/S2056989025001288","","","0.71073","MoKα","","0.1033","0.0896","","","0.2001","0.2059","","","","","","1.185","","","","has coordinates","299190","2025-04-05","11:41:08",""
"2023408","22.9963","0.0014","7.8729","0.0005","19.033","0.001","90","","92.13","0.005","90","","3443.5","0.4","123","2","123","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[1-(2,6-Difluorophenyl)-2-phenylethyl](ethyl)azanium chloride dichloromethane hemisolvate","","- C33 H38 Cl4 F4 N2 -","- C33 H38 Cl4 F4 N2 -","- C132 H152 Cl16 F16 N8 -","4","0.5","EE2011","Mewis, Ryan E.; Hulme, Matthew C.; Marron, Jack; Langley, Stuart K.; Sutcliffe, Oliver B.; Benjamin, Sophie L.","Synthesis and crystal structures of five fluorinated diphenidine derivatives.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","229","234","10.1107/S2056989025001288","","","0.71073","MoKα","","0.0343","0.031","","","0.075","0.0768","","","","","","1.066","","","","has coordinates,has disorder","299190","2025-04-05","11:41:08",""
"2023409","11.3115","0.0006","10.54","0.0005","14.8039","0.0007","90","","105.044","0.005","90","","1704.48","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>tert</i>-Butyl[1-(2,6-difluorophenyl)-2-phenylethyl]azanium chloride","","- C18 H22 Cl F2 N -","- C18 H22 Cl F2 N -","- C72 H88 Cl4 F8 N4 -","4","1","EE2011","Mewis, Ryan E.; Hulme, Matthew C.; Marron, Jack; Langley, Stuart K.; Sutcliffe, Oliver B.; Benjamin, Sophie L.","Synthesis and crystal structures of five fluorinated diphenidine derivatives.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","229","234","10.1107/S2056989025001288","","","0.71073","MoKα","","0.0704","0.0488","","","0.0877","0.0954","","","","","","1.055","","","","has coordinates","299190","2025-04-05","11:41:18",""
"2023410","12.12054","0.0001","8.93314","0.00006","17.75198","0.00015","90","","90.4278","0.0008","90","","1922.03","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[(4-Chlorophenyl)diphenylmethyl]-3-(trifluoromethyl)-1<i>H</i>-pyrazole","","- C23 H16 Cl F3 N2 -","- C23 H16 Cl F3 N2 -","- C92 H64 Cl4 F12 N8 -","4","1","ZV2037","Guseinov, Firudin I.; Afanaseva, Ksenia A.; A Vil, Vera; Ugrak, Bogdan I.; Samigullina, Aida I.; Zangrando, Ennio; Belay, Alebel N.","Crystal structure of 1-[(4-chloro-phen-yl)di-phenylyl-meth-yl]-3-(tri-fluoro-meth-yl)-1<i>H</i>-pyrazole.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","235","238","10.1107/S2056989025001185","","","1.54184","CuKα","","0.0395","0.0382","","","0.1064","0.1076","","","","","","1.073","","","","has coordinates","299176","2025-04-05","11:35:45",""
"2023411","22.8868","0.0007","10.7978","0.0003","10.1946","0.0003","90","","95.359","0.003","90","","2508.35","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[tris(aminothiourea)cobalt(III)] bis[2-(carboxymethyl)-2-hydroxybutanedioato]cobalt(II) tetranitrate tetrahydrate","","- C9 H25 Co1.5 N11 O15 S3 -","- C9 H25 Co1.5 N11 O15 S3 -","- C36 H100 Co6 N44 O60 S12 -","4","1","EX2089","Nuralieva, Guzal; Umirzakova, Oydinoy; Torambetov, Batirbay; Rasulov, Abdusamat; Ashurov, Jamshid; Kadirova, Shakhnoza","Synthesis, crystal structure and Hirshfeld analysis of a novel supra-molecular compound [Co(tsc)<sub>3</sub>]<sub>2</sub>[Co(cit)<sub>2</sub>](NO<sub>3</sub>)<sub>4</sub>·4H<sub>2</sub>O.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","248","251","10.1107/S2056989025001136","","x-ray","1.54184","CuKα","","0.0666","0.0545","","","0.1399","0.1501","","","","","","1","","","","has coordinates,has disorder","299177","2025-04-05","11:36:03",""
"2023412","3.86683","0.00017","14.1943","0.0006","13.7347","0.0006","90","","91.453","0.004","90","","753.61","0.06","120","0.1","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(3,5-dichloropyridine)copper(II)]-di-μ-bromido]","","- C10 H6 Br2 Cl4 Cu N2 -","- C10 H6 Br2 Cl4 Cu N2 -","- C20 H12 Br4 Cl8 Cu2 N4 -","2","0.5","WM5752","Landee, Christopher P.; Dickie, Diane A.; Turnbull, Mark M.","CuBr<sub>2</sub> complexes with 3,5-disubstituted pyridine ligands.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","243","247","10.1107/S2056989025001343","","","1.54184","CuKα","","0.0422","0.0393","","","0.0995","0.102","","","","","","1.05","","","","has coordinates","299180","2025-04-05","11:36:59",""
"2023413","3.9901","0.0002","14.2902","0.0009","13.8338","0.0008","90","","93.638","0.002","90","","787.2","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(3,5-dimethylpyridine)copper(II)]-di-μ-bromido]","","- C14 H18 Br2 Cu N2 -","- C14 H18 Br2 Cu N2 -","- C28 H36 Br4 Cu2 N4 -","2","0.5","","Landee, Christopher P.; Dickie, Diane A.; Turnbull, Mark M.","CuBr<sub>2</sub> complexes with 3,5-disubstituted pyridine ligands.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","243","247","10.1107/S2056989025001343","","","0.71073","MoKα","","0.0514","0.0438","","","0.0845","0.0873","","","","","","1.048","","","","has coordinates","299180","2025-04-05","11:37:00",""
"2023414","10.2254","0.0002","12.2767","0.0003","14.7404","0.0003","90","","93.726","0.001","90","","1846.51","0.07","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-<i>tert</i>-Butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole","","- C21 H23 F2 N O2 -","- C21 H23 F2 N O2 -","- C84 H92 F8 N4 O8 -","4","1","NX2020","Sowbhagya, Chaluvarangaiah; Mohan Kumar, Thaluru M.; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structure and Hirshfeld-surface analysis of the pesticide etoxazole.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","239","242","10.1107/S2056989025001173","","","0.71073","MoKα","","0.0369","0.0321","","","0.0742","0.0771","","","","","","1.065","","","","has coordinates,has disorder","299183","2025-04-05","11:37:43",""
"2023415","6.889","0.004","7.25","0.005","15.183","0.01","90","","90.9","0.03","90","","758.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Fluorobenzo[<i>c</i>][1,2,5]selenadiazol-1-ium chloride","","- C6 H4 Cl F N2 Se -","- C6 H4 Cl F N2 Se -","- C24 H16 Cl4 F4 N8 Se4 -","4","1","WM5748","Gurbanov, Atash V.; Hökelek, Tuncer; Mammadova, Gunay Z.; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.","Synthesis, crystal structure, Hirshfeld surface and crystal void analysis of 4-fluoro-benzo[<i>c</i>][1,2,5]selena-diazol-1-ium chloride.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","252","256","10.1107/S2056989025001379","","","0.71073","MoKα","","0.0325","0.025","","","0.0521","0.0551","","","","","","1.069","","","","has coordinates","299184","2025-04-05","11:37:57",""
"2023416","17.9534","0.0007","15.8109","0.0007","14.6429","0.0006","90","","113.189","0.002","90","","3820.7","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-[(6-<i>tert</i>-Butyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C168 H200 N8 O32 -","8","1","NX2021","Sunitha Kumari, M.; Harish Kumar, M.; Deevith, D. V.; Devarajegowda, H. C.; Palakshamurthy, B. S.","Crystal structure, Hirshfeld surface, DFT, mol-ecular docking of 1-[(6-<i>tert</i>-butyl-2-oxo-2<i>H</i>-chromen-4-yl)meth-yl]-4,4-di-methyl-piperidine-2,6-dione and cytotoxic effects on breast cancer (MDA-MB 231), human alveolar basal epithelial (A549) cell lines.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","257","263","10.1107/S2056989025001550","","","0.71073","MoKα","","0.0506","0.0431","","","0.1062","0.111","","","","","","1.059","","","","has coordinates","299186","2025-04-05","11:38:34",""
"2023417","5.9754","0.0008","7.2962","0.0009","39.537","0.005","90","","90","","90","","1723.7","0.4","300","2","300","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Methyl 4'-[(4-bromobenzoyl)oxy]biphenyl-4-carboxylate","","- C21 H15 Br O4 -","- C21 H15 Br O4 -","- C84 H60 Br4 O16 -","4","1","WM5751","Anilkumar, Hanumaiah; Selvanandan, Selvaraj; Omkariah, Metikurke Amruthesh; Harish Kumar, Mahadevaiah; Srinivasa, Hosapalya Thimmaiah; Palakshamurthy, Bandrehalli Siddagangaiah","Synthesis, crystal structure, Hirshfeld surface analysis, density function theory calculations and photophysical properties of methyl 4'-[(4-bromobenzo-yl)-oxy]biphenyl-4-carboxyl-ate: a compound with bromine⋯oxygen contacts.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","264","270","10.1107/S2056989025001604","","","0.71073","MoKα","","0.0495","0.0347","","","0.0674","0.072","","","","","","1.047","","","","has coordinates","299175","2025-04-05","11:35:33",""
"2023418","7.1461","0.0019","8.66","0.002","9.28","0.003","90.742","0.009","101.274","0.009","113.887","0.009","512.2","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","Tetraoxa[2]perfluoroarene[2]triazine","","- C20 H6 F8 N6 O6 -","- C20 H6 F8 N6 O6 -","- C20 H6 F8 N6 O6 -","1","0.5","TX2095","Kawasaki, Tadashi; Hori, Akiko","Polymorphism and Hirshfeld surface analysis of tetra-oxa[2]perfluoro-arene[2]triazine.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","289","295","10.1107/S205698902500194X","","","0.71073","MoKα","","0.0575","0.0381","","","0.0833","0.0918","","","","","","1.07","","","","has coordinates","299521","2025-05-03","19:20:23",""
"2023419","7.1729","0.001","9.7282","0.0012","16.307","0.002","104.42","0.004","91.293","0.005","99.274","0.004","1085.3","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H6 F8 N6 O6 -","- C20 H6 F8 N6 O6 -","- C40 H12 F16 N12 O12 -","2","1","TX2095","Kawasaki, Tadashi; Hori, Akiko","Polymorphism and Hirshfeld surface analysis of tetra-oxa[2]perfluoro-arene[2]triazine.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","289","295","10.1107/S205698902500194X","","","0.71073","MoKα","","0.0684","0.0472","","","0.1176","0.1299","","","","","","1.035","","","","has coordinates","299521","2025-05-03","19:20:23",""
"2023420","6.555","0.002","10.14","0.003","12.403","0.004","83.15","0.03","89.65","0.03","88.82","0.03","818.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","7-(4-Chlorophenyl)-1-hydroxy-5-methylpyrido[3,4-<i>d</i>]pyridazin-4(3<i>H</i>)-one dimethyl sulfoxide monosolvate","","- C16 H16 Cl N3 O3 S -","- C16 H16 Cl N3 O3 S -","- C32 H32 Cl2 N6 O6 S2 -","2","1","OJ3026","Wójcicka, Anna; Bryndal, Iwona; Krupińska, Magdalena; Wolska, Aleksandra; Milewski, Jakub; Pyra, Anna; Becan, Lilianna; Mączyński, Marcin; Matera-Witkiewicz, Agnieszka","7-(4-Chlorophenyl)-1-hydroxy-5-methylpyrido[3,4-d]pyridazin-4(3H)-one: synthesis, solvatomorphism, in vitro anti-inflammatory and cytotoxic activity studies and in silico analysis.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 4","198","211","10.1107/S2053229625001858","","","1.54184","CuKα","","0.0475","0.044","","","0.1248","0.127","","","","","","1.065","","","","has coordinates,has Fobs","299513","2025-05-03","19:18:50",""
"2023421","26.379","0.005","6.539","0.002","22.02","0.005","90","","103.05","0.03","90","","3700.2","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","7-(4-Chlorophenyl)-1-hydroxy-5-methylpyrido[3,4-<i>d</i>]pyridazin-4(3<i>H</i>)-one dimethyl sulfoxide sesquisolvate","","- C34 H38 Cl2 N6 O7 S3 -","- C34 H38 Cl2 N6 O7 S3 -","- C136 H152 Cl8 N24 O28 S12 -","4","0.5","OJ3026","Wójcicka, Anna; Bryndal, Iwona; Krupińska, Magdalena; Wolska, Aleksandra; Milewski, Jakub; Pyra, Anna; Becan, Lilianna; Mączyński, Marcin; Matera-Witkiewicz, Agnieszka","7-(4-Chlorophenyl)-1-hydroxy-5-methylpyrido[3,4-d]pyridazin-4(3H)-one: synthesis, solvatomorphism, in vitro anti-inflammatory and cytotoxic activity studies and in silico analysis.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 4","198","211","10.1107/S2053229625001858","","","1.54184","CuKα","","0.0375","0.0323","","","0.0879","0.0913","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","299513","2025-05-03","19:18:50",""
"2023422","9.2969","0.0005","14.0662","0.0007","15.1168","0.0007","90","","90","","90","","1976.85","0.17","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","5-{(<i>E</i>)-[(1<i>H</i>-Indol-3-ylformamido)imino]methyl}-2-methoxyphenyl propane-1-sulfonate","","- C20 H21 N3 O5 S -","- C20 H21 N3 O5 S -","- C80 H84 N12 O20 S4 -","4","1","JP2017","Mohamed-Ezzat, Reham A; Kariuki, Benson M.; Al-Ashmawy, Aisha A K; Srour, Aladdin M.","Synthesis and crystal structure of 5-{(<i>E</i>)-[(1<i>H</i>-indol-3-ylformamido)-imino]-meth-yl}-2-meth-oxy-phenyl propane-1-sulfonate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","310","313","10.1107/S2056989025002087","","","0.71073","MoKα","","0.0591","0.0427","","","0.1","0.1109","","","","","","1.052","","","","has coordinates","299517","2025-05-03","19:19:39",""
"2023423","10.27958","0.00005","11.1877","0.00006","15.09983","0.00008","90","","105.676","0.0005","90","","1671.96","0.016","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-nitrophenyl)-4<i>H</i>-pyran-3-carboxylate","","- C17 H15 N3 O7 -","- C17 H15 N3 O7 -","- C68 H60 N12 O28 -","4","1","DX2064","Naghiyev, Farid N.; Hökelek, Tuncer; Khrustalev, Victor N.; Mamedov, Huseyn M.; Belay, Alebel N.; Ashurov, Jamshid; Mamedov, Ibrahim G.","Crystal structure and Hirshfeld surface analyses, inter-molecular inter-action energies and energy frameworks of methyl 6-amino-5-cyano-2-(2-meth-oxy-2-oxoeth-yl)-4-(4-nitro-phen-yl)-4<i>H</i>-pyran-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","296","302","10.1107/S2056989025001276","","","1.54184","CuKα","","0.0316","0.0314","","","0.0818","0.0821","","","","","","1.051","","","","has coordinates","299520","2025-05-03","19:20:13",""
"2023424","14.172","0.003","15.902","0.003","14.644","0.003","90","","110.46","0.03","90","","3092","1.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tris(2-methyl-1<i>H</i>-imidazol-3-ium) 5-carboxybenzene-1,3-dicarboxylate 3,5-dicarboxybenzoate","","- C30 H30 N6 O12 -","- C30 H30 N6 O12 -","- C120 H120 N24 O48 -","4","1","JQ2038","Asprilla-Herrera, Lina Maria; Techert, Simone; Velazquez-Garcia, Jose de Jesus","Synthesis and structure of tris-(2-methyl-1<i>H</i>-imidazol-3-ium) 5-carb-oxy-benzene-1,3-di-carboxyl-ate 3,5-di-carb-oxy-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","303","309","10.1107/S2056989025002063","","","0.71073","MoKα","","0.0661","0.0446","","","0.1078","0.1193","","","","","","1.051","","","","has coordinates","299523","2025-05-03","19:20:51",""
"2023425","5.8502","0.0006","15.1396","0.0015","5.4376","0.0005","90","","90","","90","","481.61","0.08","295","2","295","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- Ca H2 O6 Sn2 -","- Ca H2 O6 Sn2 -","- Ca4 H8 O24 Sn8 -","4","0.5","","Bogdan, Tatiana V.; Ivakin, Yurii D.; Chernyshev, Vladimir V.; Mashchenko, Nikolay V.; Koklin, Aleksey E.; Tararushkin, Evgeny V.; Fedoseev, Timofei V.; Skiba, Mariia A.; Bogdan, Viktor I.","A new crystal phase of calcium stannate CaSn2O4(OH)2 and its physico-chemical properties","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2025","81","2","","","10.1107/S2052520625000745","powder diffraction","","1.5418","CuKα","","","","","","","","","0.078","2.92","","","","","","","has coordinates","298433","2025-03-14","03:00:19",""
"2023426","8.72432","0.0001","8.72432","0.0001","8.72432","0.0001","90","","90","","90","","664.041","0.013","180","0.1","180","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga20.4 Ge3.6 Mn2.88 Sm8 -","4","0.0208333","DK5135","Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.","Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","235","243","10.1107/S2052520625000630","","x-ray","0.71075","MoKα","","0.0269","0.0262","","","0.0656","0.0659","","","","2.664","2.664","2.6437","","","","has coordinates,has Fobs","299167","2025-04-05","11:32:44",""
"2023427","8.72726","0.0001","8.72726","0.0001","8.72726","0.0001","90","","90","","90","","664.712","0.013","200","0.1","200","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga20.4 Ge3.6 Mn2.88 Sm8 -","4","0.0208333","DK5135","Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.","Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","235","243","10.1107/S2052520625000630","","x-ray","0.71073","MoKα","","0.026","0.0254","","","0.0642","0.0643","","","","2.5831","2.5831","2.5685","","","","has coordinates,has Fobs","299167","2025-04-05","11:32:45",""
"2023428","8.72976","0.00009","8.72976","0.00009","8.72976","0.00009","90","","90","","90","","665.284","0.012","220","0.1","220","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga20.4 Ge3.6 Mn2.88 Sm8 -","4","0.0208333","DK5135","Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.","Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","235","243","10.1107/S2052520625000630","","x-ray","0.71073","MoKα","","0.0265","0.0257","","","0.063","0.0633","","","","2.5211","2.5211","2.5047","","","","has coordinates,has Fobs","299167","2025-04-05","11:32:45",""
"2023429","8.73232","0.00009","8.73232","0.00009","8.73232","0.00009","90","","90","","90","","665.869","0.012","240","0.1","240","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga20.4 Ge3.6 Mn2.88 Sm8 -","4","0.0208333","DK5135","Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.","Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","235","243","10.1107/S2052520625000630","","x-ray","0.71073","MoKα","","0.0275","0.0268","","","0.0637","0.0638","","","","2.52","2.52","2.5","","","","has coordinates,has Fobs","299167","2025-04-05","11:32:45",""
"2023430","8.73626","0.00009","8.73626","0.00009","8.73626","0.00009","90","","90","","90","","666.771","0.012","260","0.1","260","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga20.4 Ge3.6 Mn2.88 Sm8 -","4","0.0208333","DK5135","Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.","Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","235","243","10.1107/S2052520625000630","","x-ray","0.71073","MoKα","","0.0326","0.0317","","","0.0699","0.0702","","","","2.7424","2.7424","2.7183","","","","has coordinates,has Fobs","299167","2025-04-05","11:32:45",""
"2023431","8.73747","0.00009","8.73747","0.00009","8.73747","0.00009","90","","90","","90","","667.048","0.012","270","0.1","270","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga20.4 Ge3.6 Mn2.88 Sm8 -","4","0.0208333","DK5135","Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.","Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","235","243","10.1107/S2052520625000630","","x-ray","0.71073","MoKα","","0.0322","0.0312","","","0.0682","0.0685","","","","2.6593","2.6593","2.6409","","","","has coordinates,has Fobs","299167","2025-04-05","11:32:45",""
"2023432","8.7365","0.00009","8.7365","0.00009","8.7365","0.00009","90","","90","","90","","666.826","0.012","275","0.1","275","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga20.4 Ge3.6 Mn2.88 Sm8 -","4","0.0208333","DK5135","Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.","Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","235","243","10.1107/S2052520625000630","","x-ray","0.71073","MoKα","","0.0262","0.0254","","","0.0597","0.0599","","","","2.3229","2.3229","2.3062","","","","has coordinates,has Fobs","299167","2025-04-05","11:32:45",""
"2023433","8.73916","0.00009","8.73916","0.00009","8.73916","0.00009","90","","90","","90","","667.435","0.012","293","0.1","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga20.4 Ge3.6 Mn2.88 Sm8 -","4","0.0208333","DK5135","Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.","Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","235","243","10.1107/S2052520625000630","","x-ray","0.71073","MoKα","","0.0302","0.0293","","","0.0642","0.0644","","","","2.4772","2.4772","2.4557","","","","has coordinates,has Fobs","299167","2025-04-05","11:32:45",""
"2023434","8.74145","0.00008","8.74145","0.00008","8.74145","0.00008","90","","90","","90","","667.96","0.011","300","0.1","300","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga20.4 Ge3.6 Mn2.88 Sm8 -","4","0.0208333","DK5135","Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.","Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","235","243","10.1107/S2052520625000630","","x-ray","0.71073","MoKα","","0.0302","0.0291","","","0.0636","0.064","","","","2.4525","2.4525","2.4282","","","","has coordinates,has Fobs","299167","2025-04-05","11:32:45",""
"2023435","8.74034","0.00008","8.74034","0.00008","8.74034","0.00008","90","","90","","90","","667.706","0.011","305","0.1","305","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga20.4 Ge3.6 Mn2.88 Sm8 -","4","0.0208333","DK5135","Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.","Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","235","243","10.1107/S2052520625000630","","x-ray","0.71073","MoKα","","0.0283","0.027","","","0.0621","0.0625","","","","2.3827","2.3827","2.3658","","","","has coordinates,has Fobs","299167","2025-04-05","11:32:45",""
"2023436","8.74112","0.00009","8.74112","0.00009","8.74112","0.00009","90","","90","","90","","667.884","0.012","310","0.1","310","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga20.4 Ge3.6 Mn2.88 Sm8 -","4","0.0208333","DK5135","Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.","Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","235","243","10.1107/S2052520625000630","","x-ray","0.71073","MoKα","","0.0284","0.0273","","","0.0607","0.061","","","","2.3319","2.3319","2.3065","","","","has coordinates,has Fobs","299167","2025-04-05","11:32:45",""
"2023437","8.74364","0.00008","8.74364","0.00008","8.74364","0.00008","90","","90","","90","","668.462","0.011","315","0.1","315","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga20.4 Ge3.6 Mn2.88 Sm8 -","4","0.0208333","DK5135","Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.","Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","235","243","10.1107/S2052520625000630","","x-ray","0.71073","MoKα","","0.0315","0.0302","","","0.0668","0.0671","","","","2.5546","2.5546","2.5255","","","","has coordinates,has Fobs","299167","2025-04-05","11:32:45",""
"2023438","8.74259","0.00008","8.74259","0.00008","8.74259","0.00008","90","","90","","90","","668.221","0.011","320","0.1","320","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga20.4 Ge3.6 Mn2.88 Sm8 -","4","0.0208333","DK5135","Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.","Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","235","243","10.1107/S2052520625000630","","x-ray","0.71073","MoKα","","0.0303","0.0289","","","0.0617","0.0622","","","","2.3644","2.3644","2.3381","","","","has coordinates,has Fobs","299167","2025-04-05","11:32:45",""
"2023439","8.74393","0.00009","8.74393","0.00009","8.74393","0.00009","90","","90","","90","","668.529","0.012","330","0.1","330","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga20.4 Ge3.6 Mn2.88 Sm8 -","4","0.0208333","DK5135","Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.","Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","235","243","10.1107/S2052520625000630","","x-ray","0.71073","MoKα","","0.0294","0.0279","","","0.0617","0.0622","","","","2.3504","2.3504","2.3238","","","","has coordinates,has Fobs","299167","2025-04-05","11:32:45",""
"2023440","8.74648","0.0001","8.74648","0.0001","8.74648","0.0001","90","","90","","90","","669.114","0.013","350","0.1","350","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga20.4 Ge3.6 Mn2.88 Sm8 -","4","0.0208333","DK5135","Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.","Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","235","243","10.1107/S2052520625000630","","x-ray","0.71073","MoKα","","0.0317","0.0303","","","0.0646","0.0651","","","","2.4358","2.4358","2.4019","","","","has coordinates,has Fobs","299167","2025-04-05","11:32:45",""
"2023441","8.74867","0.00012","8.74867","0.00012","8.74867","0.00012","90","","90","","90","","669.616","0.016","370","0.1","370","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga20.4 Ge3.6 Mn2.88 Sm8 -","4","0.0208333","DK5135","Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.","Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","235","243","10.1107/S2052520625000630","","x-ray","0.71073","MoKα","","0.0315","0.03","","","0.063","0.0636","","","","2.3446","2.3446","2.3159","","","","has coordinates,has Fobs","299167","2025-04-05","11:32:45",""
"2023442","8.75212","0.00014","8.75212","0.00014","8.75212","0.00014","90","","90","","90","","670.409","0.019","400","0.1","400","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga20.4 Ge3.6 Mn2.88 Sm8 -","4","0.0208333","DK5135","Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.","Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","235","243","10.1107/S2052520625000630","","x-ray","0.71073","MoKα","","0.0317","0.0301","","","0.063","0.0634","","","","2.3189","2.3189","2.2816","","","","has coordinates,has Fobs","299167","2025-04-05","11:32:45",""
"2023443","8.75451","0.0001","8.75451","0.0001","8.75451","0.0001","90","","90","","90","","670.958","0.013","430","0.1","430","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga5.1 Ge0.9 Mn0.72 Sm2 -","- Ga20.4 Ge3.6 Mn2.88 Sm8 -","4","0.0208333","DK5135","Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.","Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","235","243","10.1107/S2052520625000630","","x-ray","0.71073","MoKα","","0.0364","0.0343","","","0.0683","0.0688","","","","2.4658","2.4658","2.4167","","","","has coordinates,has Fobs","299167","2025-04-05","11:32:45",""
"2023444","34.6329","0.0005","4.84061","0.00006","19.1365","0.0003","90","","109.86","0.0016","90","","3017.33","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl (<i>Z</i>)-2-(4-bromophenyl)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]acetate","","- C16 H15 Br N2 O2 -","- C16 H15 Br N2 O2 -","- C128 H120 Br8 N16 O16 -","8","1","WM5749","Shikhaliyev, Namiq Q.; Babazade, Aliyar A.; Atakishiyeva, Gulnar T.; Shikhaliyeva, Irada M.; Maharramov, Abel M.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl (2<i>Z</i>)-(4-bromo-phen-yl)[2-(4-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2<i>Z</i>)-(4-bromophen-yl)[2-(3,5-di-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2<i>Z</i>)-[2-(4-meth-oxy-phen-yl)hydrazinyl-idene](3-nitro-phen-yl)acetate, methyl (2<i>E</i>)-(4-chlorophen-yl)(2-phenyl-hydrazinyl-idene)acetate and methyl (2<i>Z</i>)-[2-(4-bromo-phen-yl)hydrazinylidene](4-chloro-phen-yl)acetate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","314","323","10.1107/S2056989025002051","","","1.54184","CuKα","","0.0453","0.0427","","","0.1207","0.1227","","","","","","1.117","","","","has coordinates,has disorder","299526","2025-05-03","19:21:34",""
"2023445","9.8859","0.0009","12.3021","0.0011","13.979","0.0012","83.48","0.009","73.266","0.007","81.695","0.008","1606.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Methyl (<i>Z</i>)-2-(4-bromophenyl)-2-[2-(3,5-dimethylphenyl)hydrazin-1-ylidene]acetate","","- C17 H17 Br N2 O2 -","- C17 H17 Br N2 O2 -","- C68 H68 Br4 N8 O8 -","4","2","WM5749","Shikhaliyev, Namiq Q.; Babazade, Aliyar A.; Atakishiyeva, Gulnar T.; Shikhaliyeva, Irada M.; Maharramov, Abel M.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl (2<i>Z</i>)-(4-bromo-phen-yl)[2-(4-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2<i>Z</i>)-(4-bromophen-yl)[2-(3,5-di-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2<i>Z</i>)-[2-(4-meth-oxy-phen-yl)hydrazinyl-idene](3-nitro-phen-yl)acetate, methyl (2<i>E</i>)-(4-chlorophen-yl)(2-phenyl-hydrazinyl-idene)acetate and methyl (2<i>Z</i>)-[2-(4-bromo-phen-yl)hydrazinylidene](4-chloro-phen-yl)acetate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","314","323","10.1107/S2056989025002051","","","0.7527","synchrotron","","0.0842","0.0636","","","0.1715","0.1902","","","","","","1.074","","","","has coordinates","299526","2025-05-03","19:21:35",""
"2023446","18.8022","0.0005","21.9649","0.0006","7.43092","0.00015","90","","96.156","0.002","90","","3051.19","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl (<i>Z</i>)-2-[2-(4-methoxyphenyl)hydrazin-1-ylidene]-2-(3-nitrophenyl)acetate","","- C16 H15 N3 O5 -","- C16 H15 N3 O5 -","- C128 H120 N24 O40 -","8","1","WM5749","Shikhaliyev, Namiq Q.; Babazade, Aliyar A.; Atakishiyeva, Gulnar T.; Shikhaliyeva, Irada M.; Maharramov, Abel M.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl (2<i>Z</i>)-(4-bromo-phen-yl)[2-(4-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2<i>Z</i>)-(4-bromophen-yl)[2-(3,5-di-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2<i>Z</i>)-[2-(4-meth-oxy-phen-yl)hydrazinyl-idene](3-nitro-phen-yl)acetate, methyl (2<i>E</i>)-(4-chlorophen-yl)(2-phenyl-hydrazinyl-idene)acetate and methyl (2<i>Z</i>)-[2-(4-bromo-phen-yl)hydrazinylidene](4-chloro-phen-yl)acetate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","314","323","10.1107/S2056989025002051","","","1.54184","CuKα","","0.0595","0.0461","","","0.1093","0.126","","","","","","1.066","","","","has coordinates","299526","2025-05-03","19:21:35",""
"2023447","15.86326","0.00008","8.79608","0.00003","19.2468","0.00008","90","","90","","90","","2685.59","0.02","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl (<i>E</i>)-2-(4-chlorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetate","","- C15 H13 Cl N2 O2 -","- C15 H13 Cl N2 O2 -","- C120 H104 Cl8 N16 O16 -","8","1","WM5749","Shikhaliyev, Namiq Q.; Babazade, Aliyar A.; Atakishiyeva, Gulnar T.; Shikhaliyeva, Irada M.; Maharramov, Abel M.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl (2<i>Z</i>)-(4-bromo-phen-yl)[2-(4-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2<i>Z</i>)-(4-bromophen-yl)[2-(3,5-di-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2<i>Z</i>)-[2-(4-meth-oxy-phen-yl)hydrazinyl-idene](3-nitro-phen-yl)acetate, methyl (2<i>E</i>)-(4-chlorophen-yl)(2-phenyl-hydrazinyl-idene)acetate and methyl (2<i>Z</i>)-[2-(4-bromo-phen-yl)hydrazinylidene](4-chloro-phen-yl)acetate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","314","323","10.1107/S2056989025002051","","","1.54184","CuKα","","0.0308","0.0303","","","0.0814","0.0818","","","","","","1.082","","","","has coordinates","299526","2025-05-03","19:21:35",""
"2023448","14.0199","0.0016","16.594","0.0019","6.4471","0.0009","90","","90","","90","","1499.9","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Methyl (<i>Z</i>)-2-[2-(4-bromophenyl)hydrazin-1-ylidene]-2-(4-chlorophenyl)acetate","","- C15 H12 Br Cl N2 O2 -","- C15 H12 Br Cl N2 O2 -","- C60 H48 Br4 Cl4 N8 O8 -","4","1","WM5749","Shikhaliyev, Namiq Q.; Babazade, Aliyar A.; Atakishiyeva, Gulnar T.; Shikhaliyeva, Irada M.; Maharramov, Abel M.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl (2<i>Z</i>)-(4-bromo-phen-yl)[2-(4-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2<i>Z</i>)-(4-bromophen-yl)[2-(3,5-di-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2<i>Z</i>)-[2-(4-meth-oxy-phen-yl)hydrazinyl-idene](3-nitro-phen-yl)acetate, methyl (2<i>E</i>)-(4-chlorophen-yl)(2-phenyl-hydrazinyl-idene)acetate and methyl (2<i>Z</i>)-[2-(4-bromo-phen-yl)hydrazinylidene](4-chloro-phen-yl)acetate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","314","323","10.1107/S2056989025002051","","","0.7527","synchrotron","","0.0431","0.0403","","","0.1078","0.1104","","","","","","1.089","","","","has coordinates","299526","2025-05-03","19:21:35",""
"2023449","11.07179","0.00016","12.50386","0.00016","7.53969","0.00011","90","","103.235","0.0014","90","","1016.07","0.03","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Dipotassium nickel polyphosphate","","- K2 Ni O12 P4 -","- K2 Ni O12 P4 -","- K8 Ni4 O48 P16 -","4","1","EV2014","Thiam, El Waleda Moustapha; Ba, Kalidou Mamadou; Kane, Aichata Yaya; Thiam, Ibrahima Elhadji; Claiser, Nicolas; Souhassou, Mohamed; Barry, Aliou Hamady; Gaye, Mohamed","Synthesis and crystal structure of dipotassium nickel polyphosphate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","324","327","10.1107/S2056989025002221","","","0.71073","MoKα","","0.0318","0.0306","","","0.087","0.0884","","","","","","1.066","","","","has coordinates","299518","2025-05-03","19:19:49",""
"2023450","18.3835","0.0007","7.7141","0.0003","13.38","0.0005","90","","123.787","0.001","90","","1576.99","0.11","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","Aqua(1<i>H</i>-imidazole-κ<i>N</i>^3^)[<i>N</i>-(2-oxidobenzylidene)threonato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']zinc(II)","","- C14 H17 N3 O5 Zn -","- C14 H17 N3 O5 Zn -","- C56 H68 N12 O20 Zn4 -","4","1","OX2014","Yoshizawa, Fumishi; Okui, Anna; Nakane, Daisuke; Akitsu, Takashiro","Crystal structure and Hirshfeld surface analysis of aqua-(1<i>H</i>-imidazole-κ<i>N</i> <sup>3</sup>)[<i>N</i>-(2-oxido-benzyl-idene)threonato-κ<sup>3</sup> <i>O</i>,<i>N</i>,<i>O</i>']zinc(II).","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","332","335","10.1107/S2056989025002385","","","0.71073","MoKα","","0.0319","0.0316","","","0.0737","0.074","","","","","","1.067","","","","has coordinates","299519","2025-05-03","19:19:57",""
"2023451","14.482","0.003","9.385","0.0019","10.59","0.002","90","","108.07","0.03","90","","1368.3","0.5","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(2,4-Dimethylbenzyl)sulfanyl]pyrimidine-4,6-diamine","","- C13 H16 N4 S -","- C13 H16 N4 S -","- C52 H64 N16 S4 -","4","1","EX2091","Salieva, Gulrukh; Kholikov, Tursunali; Okmanov, Rasul Ya; Matchanov, Alimjon; Khodjaniyazov, Khamid U.; Kadirova, Shakhnoza; Torambetov, Batirbay","Synthesis, crystal structure and Hirshfeld surface analysis of 2-[(2,4-di-methyl-benz-yl)sulfan-yl]pyrimidine-4,6-di-amine.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","328","331","10.1107/S2056989025002440","","","1.54178","CuKα","","0.0549","0.0494","","","0.1438","0.1485","","","","","","1.077","","","","has coordinates","299525","2025-05-03","19:21:16",""
"2023452","32.1977","0.0019","4.6431","0.0003","26.4","0.002","90","","127.495","0.002","90","","3131.4","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-{[2-(6-Chloropyridazin-3-yl)hydrazin-1-ylidene]methyl}-2,6-dimethoxyphenol monohydrate","4-Hydroxy-3,5-dimethoxybenzaldehyde (6-chloropyridazin-3-yl)hydrazone monohydrate","","- C13 H15 Cl N4 O4 -","- C13 H15 Cl N4 O4 -","- C104 H120 Cl8 N32 O32 -","8","1","YZ2065","Ummer, Muhammed Rafi; NizamMohideen, M.; Noorulla, Mohammed Nazrudeen; Moolan Khaja, Abubacker Sidhik","Synthesis, crystal structure, and <i>in silico</i> mol-ecular docking studies of 4-hy-droxy-3,5-di-meth-oxy-benzaldehyde (6-chloro-pyridazin-3-yl)hydrazone monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","336","340","10.1107/S205698902500252X","","","0.71073","MoKα","","0.0581","0.0492","","","0.1253","0.1324","","","","","","1.068","","","","has coordinates","299529","2025-05-03","19:22:25",""
"2023453","10.1248","0.0001","28.7263","0.0001","12.6378","0.0001","90","0.001","96.484","0.001","90","","3652.17","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Boc-(<i>D</i>-Phe-tFPro-Val-Leu-Leu)~2~-OMe","Boc-(<i>D</i>-Phe-tFPro-Val-Leu-Leu)~2~-OMe","","- C69 H108 F2 N10 O14 -","- C69 H108 F2 N10 O14 -","- C138 H216 F4 N20 O28 -","2","1","OX2013","Akiko, Asano; Sakata, Mizuki; Takuma, Kato; Doi, Mitsunobu","Fluorine-hydrogen inter-actions observed in a helix structure having an orn-free gramicidin S sequence incorporating 4-<i>trans</i>-fluoro-proline.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","345","349","10.1107/S2056989025002592","","","1.54184","CuKα","","0.0255","0.0254","","","0.0672","0.0673","","","","","","1.022","","","","has coordinates","299522","2025-05-03","19:20:35",""
"2023454","9.2696","0.0001","17.6682","0.0002","21.4072","0.0002","90","","99.801","0.001","90","","3454.84","0.06","99.9","0.7","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(triphenylsulfonium) tetrachloridocadmium(II)","","- C36 H30 Cd Cl4 S2 -","- C36 H30 Cd Cl4 S2 -","- C144 H120 Cd4 Cl16 S8 -","4","1","HB8121","Artis, Rylan; Heyward, Elizabeth; Reyes, Naomi; Van Ostenbridge, Kaitlyn; Lynch, Will E.; Padgett, Clifford W.","Syntheses and crystal structures of three tri-phenyl-sulfonium halometallate salts of zinc, cadmium and mercury.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","358","363","10.1107/S2056989025002245","","","1.54184","CuKα","","0.0336","0.0263","","","0.0636","0.0658","","","","","","1.047","","","","has coordinates","299524","2025-05-03","19:21:06",""
"2023455","9.43577","0.00014","18.0709","0.0003","21.2467","0.0003","90","","95.1778","0.0014","90","","3608.05","0.1","99.8","0.8","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(triphenylsulfonium) tetrachloridomercury(II) methanol monosolvate","","- C37 H34 Cl4 Hg O S2 -","- C37 H34 Cl4 Hg O S2 -","- C148 H136 Cl16 Hg4 O4 S8 -","4","1","HB8121","Artis, Rylan; Heyward, Elizabeth; Reyes, Naomi; Van Ostenbridge, Kaitlyn; Lynch, Will E.; Padgett, Clifford W.","Syntheses and crystal structures of three tri-phenyl-sulfonium halometallate salts of zinc, cadmium and mercury.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","358","363","10.1107/S2056989025002245","","","1.54184","CuKα","","0.0366","0.0313","","","0.0775","0.0799","","","","","","1.072","","","","has coordinates","299524","2025-05-03","19:21:07",""
"2023456","9.163","0.0001","17.5749","0.0002","21.1697","0.0002","90","","99.322","0.001","90","","3364.12","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(triphenylsulfonium) tetrachloridozinc(II)","","- C36 H30 Cl4 S2 Zn -","- C36 H30 Cl4 S2 Zn -","- C144 H120 Cl16 S8 Zn4 -","4","1","HB8121","Artis, Rylan; Heyward, Elizabeth; Reyes, Naomi; Van Ostenbridge, Kaitlyn; Lynch, Will E.; Padgett, Clifford W.","Syntheses and crystal structures of three tri-phenyl-sulfonium halometallate salts of zinc, cadmium and mercury.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","358","363","10.1107/S2056989025002245","","x-ray","1.54184","CuKα","","0.0315","0.0288","","","0.0726","0.0741","","","","","","1.039","","","","has coordinates","299524","2025-05-03","19:21:07",""
"2023457","7.5248","0.0005","15.1897","0.001","17.1823","0.0009","90","","99.176","0.002","90","","1938.8","0.2","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(5-Fluoro-2-methyl-1<i>H</i>-inden-3-yl)acetonitrile","","- C12 H10 F N -","- C12 H10 F N -","- C96 H80 F8 N8 -","8","2","WM5750","Yun-Deng, Wu; Hui, Wan; Yun, Xia; Jie, Ni; Jian, Li; Hui, Zhang; Xiang-Yang, Xu; Jun, Xie","Crystal structure of the possible sulindac impurity 2-(5-fluoro-2-methyl-1<i>H</i>-inden-3-yl)aceto-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","341","344","10.1107/S2056989025002622","","","0.71073","MoKα","","0.0466","0.039","","","0.0984","0.1046","","","","","","1.028","","","","has coordinates","299527","2025-05-03","19:21:53",""
"2023458","19.6908","0.001","4.7431","0.0002","12.6482","0.0005","90","","100.4","0.004","90","","1161.88","0.09","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzyl-1-ethyl-1,2,4-triazolium bromide","","- C11 H14 Br N3 -","- C11 H14 Br N3 -","- C44 H56 Br4 N12 -","4","1","HB8128","Lerch, Timothy G.; Albert, Daniel R.; Gau, Michael; Rajaseelan, Edward","Syntheses and crystal structures of 4-benzyl-1-ethyl-1,2,4-triazolium bromide and its corresponding NHC complexes of rhodium and iridium.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","350","357","10.1107/S2056989025002671","","","0.71073","MoKα","","0.0535","0.0383","","","0.0697","0.0738","","","","","","1.053","","","","has coordinates","299528","2025-05-03","19:22:14",""
"2023459","10.1404","0.0002","10.2958","0.0002","10.3306","0.0002","116.818","0.002","103.489","0.002","93.997","0.002","916.78","0.04","100","","100","0.1","","","","","","","","5","P -1","-P 1","2","","(4-Benzyl-1-ethyl-1,2,4-triazol-5-ylidene)chlorido[(1,2,5,6-η)-cycloocta-1,5-diene]rhodium(I)","","- C19 H25 Cl N3 Rh -","- C19 H25 Cl N3 Rh -","- C38 H50 Cl2 N6 Rh2 -","2","1","","Lerch, Timothy G.; Albert, Daniel R.; Gau, Michael; Rajaseelan, Edward","Syntheses and crystal structures of 4-benzyl-1-ethyl-1,2,4-triazolium bromide and its corresponding NHC complexes of rhodium and iridium.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","350","357","10.1107/S2056989025002671","","","0.71073","MoKα","","0.0329","0.0307","","","0.0799","0.0812","","","","","","1.038","","","","has coordinates,has disorder","299528","2025-05-03","19:22:14",""
"2023460","9.47197","0.00015","9.50712","0.00015","18.7104","0.0003","79.8203","0.0014","86.1222","0.0013","89.3859","0.0013","1654.57","0.05","100","","100","","","","","","","","","7","P 1","P 1","1","","(4-Benzyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)iridium(I) tetrafluoridoborate","","- C37 H40 B F4 Ir N3 P -","- C37 H40 B F4 Ir N3 P -","- C74 H80 B2 F8 Ir2 N6 P2 -","2","2","","Lerch, Timothy G.; Albert, Daniel R.; Gau, Michael; Rajaseelan, Edward","Syntheses and crystal structures of 4-benzyl-1-ethyl-1,2,4-triazolium bromide and its corresponding NHC complexes of rhodium and iridium.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","350","357","10.1107/S2056989025002671","","","0.71073","MoKα","","0.0298","0.0274","","","0.061","0.0617","","","","","","1.048","","","","has coordinates","299528","2025-05-03","19:22:15",""
"2023461","12.1281","0.0002","14.4399","0.0002","23.7057","0.0003","90","","92.016","0.001","90","","4148.98","0.1","100","","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(4-Benzyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](tricyclohexylphosphane)iridium(I) tetrafluoridoborate dicholoromethane sesquisolvate","","- C38.5 H61 B Cl3 F4 Ir N3 P -","- C38.5 H61 B Cl3 F4 Ir N3 P -","- C154 H244 B4 Cl12 F16 Ir4 N12 P4 -","4","1","","Lerch, Timothy G.; Albert, Daniel R.; Gau, Michael; Rajaseelan, Edward","Syntheses and crystal structures of 4-benzyl-1-ethyl-1,2,4-triazolium bromide and its corresponding NHC complexes of rhodium and iridium.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","350","357","10.1107/S2056989025002671","","","0.71073","MoKα","","0.0462","0.0361","","","0.0751","0.0782","","","","","","1.051","","","","has coordinates,has disorder","299528","2025-05-03","19:22:15",""
"2023462","6.3757","0.0001","7.7506","0.0001","17.9997","0.0004","100.967","0.002","97.373","0.002","100.127","0.002","847.49","0.03","160","0.1","160","0.1","","","","","","","","4","P -1","-P 1","2","","4-(4-Hydroxyphenyl)-2-(6-methyl-2,4-dioxopyran-3-ylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepine","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C42 H36 N4 O8 -","2","1","HB8131","Faraj, Imane; El Ghayati, Lhoussaine; Blacque, Olivier; Hökelek, Tuncer; Mazzah, Ahmed; Essassi, El Mokhtar; Sebbar, Nada Kheira","Synthesis and crystal structure of 2-(2,4-dioxo-6-methyl-pyran-3-yl-idene)-4-(4-hy-droxy-phen-yl)-2,3,4,5-tetra-hydro-1<i>H</i>-1,5-benzodiazepine.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","381","384","10.1107/S2056989025003032","","x-ray","1.54184","CuKα","","0.0467","0.0412","","","0.1106","0.1146","","","","","","1.076","","","","has coordinates","299932","2025-06-03","19:26:28",""
"2023463","7.607","0.0005","11.587","0.0006","21.8705","0.0013","90","","90","","90","","1927.7","0.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>,<i>R</i>)-<i>N</i>^1^-(2-Hydroxyethyl)-<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^2^-trimethylcyclohexane-1,2-bis(aminium) tetrachloridoferrate chloride","","- C11 H26 Cl5 Fe N2 O -","- C11 H26 Cl5 Fe N2 O -","- C44 H104 Cl20 Fe4 N8 O4 -","4","1","ZN2042","Klotz, Franziska Dorothea; Alonso Felipe, Clara; Villafañe, Fernando; Strohmann, Carsten","Synthesis and crystal structure study of (<i>R</i>,<i>R</i>)-TMCDA ethanol derivatives doubly protonated with FeCl<sub>4</sub> <sup>-</sup> and Cl<sup>-</sup> as counter-ions.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","372","376","10.1107/S2056989025003019","","x-ray","0.71073","MoKα","","0.0284","0.0258","","","0.0611","0.0628","","","","","","1.07","","","","has coordinates,has disorder","299933","2025-06-03","19:26:45",""
"2023464","10.2322","0.0003","9.2378","0.0005","10.7384","0.0004","90","","116.797","0.001","90","","906.02","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>R</i>,<i>R</i>)-<i>N</i>^1^,<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^2^-Tetramethylcyclohexane-1,2-bis(aminium) tetrachloridoferrate chloride","","- C10 H24 Cl5 Fe N2 -","- C10 H24 Cl5 Fe N2 -","- C20 H48 Cl10 Fe2 N4 -","2","1","","Klotz, Franziska Dorothea; Alonso Felipe, Clara; Villafañe, Fernando; Strohmann, Carsten","Synthesis and crystal structure study of (<i>R</i>,<i>R</i>)-TMCDA ethanol derivatives doubly protonated with FeCl<sub>4</sub> <sup>-</sup> and Cl<sup>-</sup> as counter-ions.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","372","376","10.1107/S2056989025003019","","x-ray","0.71073","MoKα","","0.0195","0.0176","","","0.036","0.037","","","","","","1.059","","","","has coordinates","299933","2025-06-03","19:26:45",""
"2023465","8.3562","0.0004","9.2666","0.0004","9.9151","0.0004","76.685","0.002","65.316","0.001","84.909","0.002","678.83","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4-Amino-<i>N</i>'-[(1<i>E</i>)-1-(3-hydroxyphenyl)ethylidene]benzohydrazide","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C30 H30 N6 O4 -","2","1","WM5754","Maheswari, Subramani Uma; Senthilkumar, Srinivasan; Selvanayagam, Sivashanmugam","Crystal structure, Hirshfeld surface analysis and DFT studies of 4-amino-<i>N</i>'-[(1<i>E</i>)-1-(3-hy-droxyphen-yl)ethyl-idene]benzohydrazide.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","389","392","10.1107/S205698902500297X","","","0.71073","MoKα","","0.0678","0.0495","","","0.1191","0.1336","","","","","","1.052","","","","has coordinates","299934","2025-06-03","19:26:53",""
"2023466","5.3966","0.0002","5.3966","0.0002","7.2153","0.0003","90","","90","","120","","181.981","0.012","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","Disodium barium zirconium bis(orthosilicate)","","- Ba Na2 O8 Si2 Zr -","- Ba Na2 O8 Si2 Zr -","- Ba Na2 O8 Si2 Zr -","1","0.166667","WM5753","Yamane, Hisanori; Funahashi, Shiro; Hirosaki, Naoto; Takeda, Takashi","Orthosilicates with glaserite-type crystal structures: Na<sub>2</sub>BaZr[SiO<sub>4</sub>]<sub>2</sub> and Na<sub>2</sub>BaHf[SiO<sub>4</sub>]<sub>2</sub>.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","368","371","10.1107/S2056989025002956","","x-ray","0.71073","MoKα","","0.0187","0.0158","","","0.0343","0.0352","","","","","","1.112","","","","has coordinates","299936","2025-06-03","19:27:11",""
"2023467","5.3889","0.0002","5.3889","0.0002","7.1996","0.0002","90","","90","","120","","181.067","0.011","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","Disodium barium hafnium bis(orthosilicate)","","- Ba Hf Na2 O8 Si2 -","- Ba Hf Na2 O8 Si2 -","- Ba Hf Na2 O8 Si2 -","1","0.166667","WM5753","Yamane, Hisanori; Funahashi, Shiro; Hirosaki, Naoto; Takeda, Takashi","Orthosilicates with glaserite-type crystal structures: Na<sub>2</sub>BaZr[SiO<sub>4</sub>]<sub>2</sub> and Na<sub>2</sub>BaHf[SiO<sub>4</sub>]<sub>2</sub>.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","368","371","10.1107/S2056989025002956","","x-ray","0.71073","MoKα","","0.0107","0.0103","","","0.0234","0.0235","","","","","","1.106","","","","has coordinates","299936","2025-06-03","19:27:12",""
"2023468","8.8347","0.0004","9.4124","0.0005","20.5526","0.0011","90","","90","","90","","1709.07","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Bromo-2-chlorophenyl 4'-methoxy-[1,1'-biphenyl]-4-carboxylate","","- C20 H14 Br Cl O3 -","- C20 H14 Br Cl O3 -","- C80 H56 Br4 Cl4 O12 -","4","1","HB8126","Palakshamurthy, B. S.; Anil Kumar, H.; Devarajegowda, H. C.; Srinivasa, H. T.; Harish Kumar, M.","Synthesis and structure of 4-bromo-2-chloro-phenyl 4'-meth-oxy-[1,1'-biphen-yl]-4-carboxyl-ate featuring short halogen⋯oxygen contacts.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","364","367","10.1107/S2056989025002658","","","0.71073","MoKα","","0.0268","0.0234","","","0.0525","0.0536","","","","","","1.038","","","","has coordinates","299938","2025-06-03","19:27:30",""
"2023469","9.5384","0.0004","10.1543","0.0004","16.2521","0.0008","81.511","0.003","75.79","0.003","75.92","0.003","1473.62","0.11","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","Poly[tetraaquabis[4,7-bis(1<i>H</i>-pyrazol-4-yl)benzo[<i>c</i>][1,2,5]thiadiazole][μ~4~-5,5'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[<i>lmn</i>][3,8]phenanthroline-2,7-diyl)diisophthalato]dinickel(II)]","","- C60 H50 N16 Ni2 O19 S2 -","- C60 H50 N16 Ni2 O19 S2 -","- C60 H50 N16 Ni2 O19 S2 -","1","0.5","NX2022","Li, Yi; Xie, Wang; Lin, Chen","An Ni-based coordination polymer with a bamboo-like crystal structure.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","377","380","10.1107/S2056989025002993","","","1.54178","CuKα","","0.0937","0.0764","","","0.2316","0.2474","","","","","","1.057","","","","has coordinates","299939","2025-06-03","19:27:38",""
"2023470","21.1989","0.0006","9.5096","0.0003","17.633","0.0005","90","","110.483","0.001","90","","3329.95","0.17","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol","","- C17 H22 Cl N3 O -","- C17 H22 Cl N3 O -","- C136 H176 Cl8 N24 O8 -","8","2","VM2312","Mohan Kumar, Thaluru M.; Sowbhagya, Chaluvarangaiah; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structure and Hirshfeld surface analysis of the fungicide metconazole.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","385","388","10.1107/S205698902500310X","","","0.71073","MoKα","","0.045","0.0381","","","0.0964","0.1001","","","","","","1.146","","","","has coordinates","299942","2025-06-03","19:28:05",""
"2023471","11.0702","0.0002","13.5058","0.0002","19.07","0.0003","90","","102.006","0.002","90","","2788.82","0.08","95","2","95","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ~3~-chlorido-1:2:3κ^3^<i>Cl</i>;2:3:4κ^3^<i>Cl</i>-di-μ~2~-chlorido-1:2κ^2^<i>Cl</i>;3:4κ^2^<i>Cl</i>-tetrakis[(4-amino-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one-κ^2^<i>O</i>,<i>N</i>^4^)chloridocadmium(II)] 1.7-hydrate","","- C44 H55.4 Cd4 Cl8 N12 O5.7 -","- C44 H55.4 Cd4 Cl8 N12 O5.7 -","- C88 H110.8 Cd8 Cl16 N24 O11.4 -","2","0.5","HB8132","Stoeckli-Evans, Helen; Shankar, M. G.; Kumaravel, R.; Subashini, A.; Sabari Girisun, T.; Ramamurthi, K.; Kučeráková, Monika; Dušek, Michal; Crochet, Aurélien","Di-μ<sub>3</sub>-chlorido-1:2:3κ<sup>3</sup> <i>Cl</i>;2:3:4κ<sup>3</sup> <i>Cl</i>-di-μ<sub>2</sub>-chlorido-1:2κ<sup>2</sup> <i>Cl</i>;3:4κ<sup>2</sup> <i>Cl</i>-tetra-kis-[(4-amino-1,5-dimethyl-2-phenyl-2,3-di-hydro-1<i>H</i>-pyrazol-3-one-κ<sup>2</sup> <i>N</i> <sup>4</sup>,<i>O</i>)chlorido-cadmium(II)] 1.7-hydrate: a new six-coordinate geometry index, τ<sub>6</sub>.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","393","400","10.1107/S2056989025003123","","x-ray","0.71073","MoKα","","0.028","0.0223","","","0.0485","0.0508","","","","","","1.05","","","","has coordinates","299928","2025-06-03","19:25:51",""
"2023472","6.4819","0.0004","7.4766","0.0005","9.0627","0.0005","90","","99.546","0.002","90","","433.12","0.05","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Methoxybicyclo[3.3.1]non-3-ene-2,9-dione","","- C10 H12 O3 -","- C10 H12 O3 -","- C20 H24 O6 -","2","1","EV2016","König, Julien A; Morgenstern, Bernd; Jauch, Johann","Synthesis and crystal structure analysis of substituted bi-cyclo-[3.3.1]nona-nones.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","405","411","10.1107/S2056989025003299","","","0.71073","MoKα","","0.0314","0.0296","","","0.0728","0.0744","","","","","","1.078","","","","has coordinates","299926","2025-06-03","19:25:31",""
"2023473","7.733","0.0015","10.976","0.002","13.874","0.003","101.984","0.005","92.032","0.005","90.293","0.005","1151.1","0.4","152","2","152","2","","","","","","","","3","P -1","-P 1","2","","4,9,9-Trimethoxybicyclo[3.3.1]non-3-en-2-ol","","- C12 H20 O4 -","- C12 H20 O4 -","- C48 H80 O16 -","4","2","EV2016","König, Julien A; Morgenstern, Bernd; Jauch, Johann","Synthesis and crystal structure analysis of substituted bi-cyclo-[3.3.1]nona-nones.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","405","411","10.1107/S2056989025003299","","","0.71073","MoKα","","0.1158","0.057","","","0.1178","0.1391","","","","","","0.981","","","","has coordinates","299926","2025-06-03","19:25:32",""
"2023474","14.1871","0.0006","6.3306","0.0002","22.4159","0.0008","90","","101.702","0.001","90","","1971.39","0.13","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Methoxy-6-methyl-1-(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione","","- C22 H32 O3 -","- C22 H32 O3 -","- C88 H128 O12 -","4","1","EV2016","König, Julien A; Morgenstern, Bernd; Jauch, Johann","Synthesis and crystal structure analysis of substituted bi-cyclo-[3.3.1]nona-nones.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","405","411","10.1107/S2056989025003299","","","0.71073","MoKα","","0.0685","0.0455","","","0.1024","0.1159","","","","","","1.05","","","","has coordinates","299926","2025-06-03","19:25:32",""
"2023475","15.1165","0.0005","13.9068","0.0004","12.815","0.0004","90","","113.218","0.001","90","","2475.81","0.13","143","2","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-<i>tert</i>-Butyl-4-hydroxy-2-methoxy-8-methyl-7-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-2-en-9-one","","- C26 H42 O3 -","- C26 H42 O3 -","- C104 H168 O12 -","4","1","EV2016","König, Julien A; Morgenstern, Bernd; Jauch, Johann","Synthesis and crystal structure analysis of substituted bi-cyclo-[3.3.1]nona-nones.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","405","411","10.1107/S2056989025003299","","","0.71073","MoKα","","0.0487","0.0403","","","0.1008","0.1083","","","","","","1.052","","","","has coordinates","299926","2025-06-03","19:25:32",""
"2023476","6.3603","0.0002","7.644","0.0003","16.4098","0.0006","84.334","0.001","84.82","0.001","67.518","0.001","732.38","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(diisopropylamino)fluoroborane","","- C12 H28 B F N2 -","- C12 H28 B F N2 -","- C24 H56 B2 F2 N4 -","2","1","JY2057","Lenz, Tabea; Hebenbrock, Marian","Crystal structure of bis-(diiso-propyl-amino)-fluoro-borane.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","401","404","10.1107/S2056989025003160","","","0.71073","MoKα","","0.045","0.042","","","0.1071","0.1096","","","","","","1.084","","","","has coordinates","299930","2025-06-03","19:26:12",""
"2023477","11.3526","0.0003","12.0162","0.0003","13.3087","0.0003","97.08","0.001","114.406","0.001","107.335","0.001","1513.47","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","5,5-Diphenyl-3-(2-propyn-1-yl)imidazolidine-2,4-dione","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","2","VM2311","El Moutaouakil Ala Allah, Abderrazzak; Massera, Chiara; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","Synthesis, crystal structure and Hirshfeld surface analysis of 5,5-diphenyl-3-(prop-2-yn-1-yl)imidazolidine-2,4-dione.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","412","416","10.1107/S2056989025003391","","","1.54178","CuKα","","0.046","0.04","","","0.1115","0.1173","","","","","","1.024","","","","has coordinates","299925","2025-06-03","19:25:13",""
"2023478","10.1901","0.0006","12.2379","0.001","7.6165","0.0009","90","","103.379","0.01","90","","924.04","0.15","200","2","200.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(4-methylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C14 H18 Co N4 O2 S2 -","- C14 H18 Co N4 O2 S2 -","- C28 H36 Co2 N8 O4 S4 -","2","0.5","HB8129","Näther, Christian; Boeckmann, Jan","Synthesis, crystal structure and thermal properties of di-aqua-bis-(4-methyl-pyridine-κ<i>N</i>)bis-(thio-cyanato-κ<i>N</i>)cobalt(II).","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","420","424","10.1107/S2056989025003469","","","0.71073","MoKα","","0.0519","0.0471","","","0.1392","0.1427","","","","","","1.043","","","","has coordinates","299927","2025-06-03","19:25:41",""
"2023479","7.9057","0.0003","10.1929","0.0003","12.2794","0.0003","83.238","0.001","89.201","0.001","71.122","0.001","929.45","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-[4-(2-Methylpropyl)phenyl]-<i>N</i>'-[(1<i>Z</i>)-1-(thiophen-2-yl)ethylidene]propanehydrazide","","- C19 H24 N2 O S -","- C19 H24 N2 O S -","- C38 H48 N4 O2 S2 -","2","1","DX2065","Jayadevan, Sarayu; Sujith, K. V.; Biju, A. R.","Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[4-(2-methyl-prop-yl)phen-yl]-<i>N</i>'-[(1<i>Z</i>)-1-(thio-phen-2-yl)ethyl-idene]propane-hydrazide.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","417","419","10.1107/S2056989025003329","","x-ray","0.71073","MoKα","","0.0456","0.0409","","","0.1172","0.1229","","","","","","1.028","","","","has coordinates","299931","2025-06-03","19:26:20",""
"2023480","20.3154","0.0013","6.6466","0.0004","28.077","0.0015","90","","96.389","0.006","90","","3767.6","0.4","293","2","293.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Ketorolac tromethamine","1,3-Dihydroxy-2-(hydroxymethyl)propan-2-aminium 5-benzoyl-2,3-dihydro-1<i>H</i>-pyrrolizine-1-carboxylate","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C152 H192 N16 O48 -","8","1","EX2090","Shaposhnyk, Anna M.; Rudiuk, Vitalii V.; Baumer, Vyacheslav N.","Crystal structure and Hirshfeld surface analysis of ketorolac tromethamine.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","433","437","10.1107/S2056989025003226","","","0.71073","MoKα","","0.0904","0.0566","","","0.143","0.1787","","","","","","1.044","","","","has coordinates","299937","2025-06-03","19:27:22",""
"2023481","10.975","0.003","6.7837","0.0015","21.803","0.004","90","","90.222","0.014","90","","1623.2","0.6","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[aqua(μ~2~-pyrazine-κ^2^<i>N</i>:<i>N</i>')(μ~2~-2,3,5,6-tetrachlorobenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)copper(II)] hemihydrate]","","- C24 H14 Cl8 Cu2 N4 O11 -","- C24 H14 Cl8 Cu2 N4 O11 -","- C48 H28 Cl16 Cu4 N8 O22 -","2","0.5","JP2018","Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro","Crystal structure of poly[[aqua-(μ<sub>2</sub>-pyrazine-κ<sup>2</sup> <i>N</i>:<i>N</i>')(μ<sub>2</sub>-2,3,5,6-tetra-chloro-benzene-1,4-di-car-boxyl-ato-κ<sup>2</sup> <i>O</i> <sup>1</sup>:<i>O</i> <sup>4</sup>)copper(II)] hemihydrate].","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","429","432","10.1107/S2056989025003457","","","0.7107","MoKα","","0.0383","0.0341","","","0.0962","0.109","","","","","","1.176","","","","has coordinates","299940","2025-06-03","19:27:46",""
"2023482","11.26039","0.00013","12.26667","0.00015","33.0963","0.0003","90","","90","","90","","4571.51","0.09","99.99","0.1","99.99","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-({3-[(3,5-Dioxo-4-azatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-en-4-yl)methyl]phenyl}methyl)-4-azatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C240 H224 N16 O32 -","8","1","NY2012","Jiang, Christina Yu; Staples, Richard J.; Biros, Shannon M.","Crystal structure of a bis-4-aza-tetra-cyclo[5.3.2.0<sup>2,6</sup>.0<sup>8,10</sup>]dodec-11-ene-3,5-dione compound.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","425","428","10.1107/S2056989025003500","","x-ray","1.54184","CuKα","","0.0467","0.0412","","","0.1124","0.1171","","","","","","1.07","","","","has coordinates","299943","2025-06-03","19:28:14",""
"2023483","14.5942","0.0002","14.5942","0.0002","15.4565","0.0002","90","","90","","120","","2851.03","0.07","120","","120","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","6,16,25(1,4)-Tribenzena-1,4,8,11,14,18,23,27-octaazabicyclo[9.9.9]nonacosaphane-4,7,14,17,23,26-hexaene hexahydrate","","- C36 H54 N8 O6 -","- C36 H54 N8 O6 -","- C108 H162 N24 O18 -","3","0.166667","NX2023","Baisch, Ulrich; Scicluna, Marie Christine; Vella-Zarb, Liana","Rapid and facile one-step microwave synthesis of macrobicyclic cryptands.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","448","451","10.1107/S2056989025003044","","x-ray","0.64066","synchrotron","","0.0293","0.0292","","","0.0824","0.0824","","","","","","1.058","","","","has coordinates","299929","2025-06-03","19:26:03",""
"2023484","10.5608","0.0003","10.8048","0.0003","12.8872","0.0004","90","","90","","90","","1470.52","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-Dichloro-3,3-diethoxy-1-(4-fluorophenyl)propan-1-ol","","- C13 H17 Cl2 F O3 -","- C13 H17 Cl2 F O3 -","- C52 H68 Cl8 F4 O12 -","4","1","OI2015","Guseynova, Saadet N.; Samigullina, Aida I.; Demir, Cemile Baydere; Dege, Necmi; Sepay, Nayim; Zangrando, Ennio; Hasanov, Khudayar I.; Belay, Alebel N.","Synthesis, crystal structure and Hirshfeld surface analysis of 2,2-di-chloro-3,3-dieth-oxy-1-(4-fluoro-phen-yl)propan-1-ol.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","444","447","10.1107/S2056989025002154","","","1.54184","CuKα","","0.0247","0.0247","","","0.0654","0.0654","","","","","","1.053","","","","has coordinates","299935","2025-06-03","19:27:01",""
"2023485","20.2393","0.0011","10.6519","0.0008","19.4225","0.0011","90","","106.614","0.005","90","","4012.4","0.4","95","2","95","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-4-Amino-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)imino]methyl}-1-methyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","","- C22 H22 N6 O2 -","- C22 H22 N6 O2 -","- C176 H176 N48 O16 -","8","1","HB8135","Kumaravel, R.; Stoeckli-Evans, Helen; Subashini, A.; Shankar, M. G.; Kučeráková, Monika; Dušek, Michal; Crochet, Aurélien; Ramamurthi, K.","Structure of (<i>E</i>)-4-amino-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-di-hydro-1<i>H</i>-pyrazol-4-yl)imino]-meth-yl}-1-methyl-2-phenyl-2,3-di-hydro-1<i>H</i>-pyrazol-3-one: aerial oxidation of 4-amino-anti-pyrine in di-methyl-formamide.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","438","443","10.1107/S2056989025003676","","","1.54184","CuKα","","0.0928","0.0576","","","0.1118","0.1373","","","","","","1.09","","","","has coordinates","299941","2025-06-03","19:27:55",""
"2023486","6.6576","0.0001","17.1463","0.0002","15.8105","0.0002","90","","98.935","0.001","90","","1782.92","0.04","160","0.1","160","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(2-{3-[2-(2-Oxooxazolidin-3-yl)ethoxy]quinoxalin-2-yloxy}ethyl)oxazolidin-2-one","","- C18 H20 N4 O6 -","- C18 H20 N4 O6 -","- C72 H80 N16 O24 -","4","1","HB8134","Aboutofil, Fatima Ezzahra; Mustaphi, Nour El Hoda; Blacque, Olivier; Hökelek, Tuncer; Mazzah, Ahmed; El Ghayati, Lhoussaine; Sebbar, Nada Kheira","Synthesis and crystal structure of 3-(2-{3-[2-(2-oxooxazolidin-3-yl)ethoxy]quinoxalin-2-yloxy}ethyl)oxazolidin-2-one","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003755","","x-ray","1.54184","CuKα","","0.0406","0.0379","","","0.0962","0.0994","","","","","","1.064","","","","has coordinates","299501","2025-05-03","01:46:50",""
"2023487","38.722","0.003","10.4622","0.0007","23.891","0.0016","90","","106.978","0.008","90","","9256.8","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Perethoxy-prism[6]arene 1,6-dichlorohexane disolvate","","- C102 H120 Cl4 O12 -","- C102 H120 Cl4 O12 -","- C408 H480 Cl16 O48 -","4","0.5","DX2066","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Crystal structures and supramolecular interactions of prism[6]arene-based host–guest systems with dihalohexanes","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003767","","","0.71075","MoKα","","0.1611","0.0711","","","0.1532","0.1866","","","","","","0.996","","","","has coordinates,has disorder","299502","2025-05-03","01:47:31",""
"2023488","38.728","0.003","10.5427","0.0006","24.0234","0.0016","90","","106.814","0.008","90","","9389.4","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Perethoxy-prism[6]arene 1,6-diiodohexane disolvate","","- C102 H120 I4 O12 -","- C102 H120 I4 O12 -","- C408 H480 I16 O48 -","4","0.5","DX2066","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Crystal structures and supramolecular interactions of prism[6]arene-based host–guest systems with dihalohexanes","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003767","","","0.71075","MoKα","","0.1402","0.0685","","","0.1633","0.1924","","","","","","1.016","","","","has coordinates","299502","2025-05-03","01:47:32",""
"2023489","10.0036","0.0005","15.8231","0.0007","6.9325","0.0003","90","","99.808","0.002","90","","1081.29","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[3,10-Bis(3-carboxypropyl)-1,3,5,8,10,12-hexaazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^12^]dichloridocopper(II)","","- C16 H34 Cl2 Cu N6 O4 -","- C16 H34 Cl2 Cu N6 O4 -","- C32 H68 Cl4 Cu2 N12 O8 -","2","0.5","HB8137","Tsymbal, Liudmyla V.; Andriichuk, Irina L.; Stoica, Alexandru-Constantin; Lampeka, Yaroslaw D.","Synthesis and structural characterization of the dichloride complex formed by carboxy-functionalized Cu(diazacyclam)2+ cation and its heterometallic coordination polymer with CdCl2","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003792","","","0.71073","MoKα","","0.0447","0.0292","","","0.0608","0.0667","","","","","","1.054","","","","has coordinates","299503","2025-05-03","01:47:56",""
"2023490","10.1565","0.0004","10.4249","0.0005","14.6531","0.0007","80.305","0.003","80.117","0.003","64.149","0.003","1367.82","0.11","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","Poly[[aqua[μ~3~-3,10-bis(3-carboxypropyl)-1,3,5,8,10,12-hexaazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^12^:κ^2^<i>O</i>,<i>O</i>':κ^2^<i>O</i>'',<i>O</i>''']-μ-chloridocopper(II)cadmium(II]] 1.25-hydrate]","","- C16 H36.5 Cd Cl2 Cu N6 O6.25 -","- C16 H36.5 Cd Cl2 Cu N6 O6.25 -","- C32 H73 Cd2 Cl4 Cu2 N12 O12.5 -","2","1","HB8137","Tsymbal, Liudmyla V.; Andriichuk, Irina L.; Stoica, Alexandru-Constantin; Lampeka, Yaroslaw D.","Synthesis and structural characterization of the dichloride complex formed by carboxy-functionalized Cu(diazacyclam)2+ cation and its heterometallic coordination polymer with CdCl2","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003792","","","0.71073","MoKα","","0.0783","0.0496","","","0.1298","0.1487","","","","","","1.037","","","","has coordinates,has disorder","299503","2025-05-03","01:47:58",""
"2023491","10.6654","0.0012","13.5974","0.0015","15.7917","0.0017","109.206","0.002","101.687","0.002","107.789","0.002","1938.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,1'-[Oxybis(ethane-2,1-diyl)]bis(2-methylsulfanyl-1<i>H</i>-benzo[<i>d</i>]imidazole)","","- C20 H22 N4 O S2 -","- C20 H22 N4 O S2 -","- C80 H88 N16 O4 S8 -","4","2","VM2313","Moussaif, Ahmed; El Ghayati, Lhoussaine; Kalonji Mubengayi, Camille; Alsubari, Abdulsalam; Essassi, El Mokhtar; Mague, Joel T.; Ramli, Youssef","Synthesis, crystal structure and Hirshfeld surface analysis of 1,1′-[oxybis(ethane-2,1-diyl)]bis(2-methylsulfanyl-1H-benzo[d]imidazole)","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003809","","","0.71073","MoKα","","0.1065","0.0678","","","0.1873","0.1987","","","","","","0.999","","","","has coordinates,has disorder","299504","2025-05-03","01:48:22",""
"2023492","15.9012","0.0003","11.0897","0.0002","18.9475","0.0005","90","","109.182","0.003","90","","3155.69","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(2-aminobenzoxazole-κ<i>N</i>^1^)bis(nitrato-κ<i>O</i>)cadmium(II)","","- C28 H24 Cd N10 O10 -","- C28 H24 Cd N10 O10 -","- C112 H96 Cd4 N40 O40 -","4","0.5","WM5756","Razzoqova, Surayyo; Ruzimov, Yodgor; Toshov, Akobir; Torambetov, Batirbay; Ibragimov, Aziz; Ashurov, Jamshid; Kadirova, Shakhnoza","Synthesis, crystal structure and Hirshfeld surface analysis of a coordination compound of cadmium nitrate with 2-aminobenzoxazole","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004049","","x-ray","1.54184","CuKα","","0.0632","0.0486","","","0.1182","0.1278","","","","","","1.013","","","","has coordinates","299611","2025-05-10","01:49:57",""
"2023493","16.429","0.0002","8.05961","0.0001","13.72324","0.00016","90","","106.758","0.0014","90","","1739.94","0.04","299.99","0.1","299.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>'-2,3,8,9-Bismethylsuccinimide-11,12-dihydrodibenzo[<i>c</i>,<i>g</i>][1,2]diazocine","8,19-Dimethyl-2,3,8,19-tetraazapentacyclo[13.7.0.0^4,12^.0^6,10^.0^17,21^]docosa-1(15),2,4(12),5,10,16,21-heptaene-7,9,18,20-tetrone","","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","- C80 H56 N16 O16 -","4","1","HB8139","Näther, Christian; Businski, Artjom; Herges, Rainer","Reversible phase transition in 8,19-dimethyl-2,3,8,19-tetraazapentacyclo[13.7.0.04,12.06,10.017,21]docosa-1(15),2,4(12),5,10,16,21-heptaene-7,9,18,20-tetrone","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003998","","x-ray","1.54184","CuKα","","0.0411","0.0393","","","0.1074","0.109","","","","","","1.061","","","","has coordinates","299612","2025-05-10","01:50:18",""
"2023494","7.9465","0.0002","13.7201","0.0003","16.2592","0.0006","106.993","0.002","90.914","0.003","90.1121","0.0019","1695.04","0.09","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","- C80 H56 N16 O16 -","4","2","HB8139","Näther, Christian; Businski, Artjom; Herges, Rainer","Reversible phase transition in 8,19-dimethyl-2,3,8,19-tetraazapentacyclo[13.7.0.04,12.06,10.017,21]docosa-1(15),2,4(12),5,10,16,21-heptaene-7,9,18,20-tetrone","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003998","","x-ray","1.54184","CuKα","","0.0419","0.0413","","","0.1161","0.1167","","","","","","1.071","","","","has coordinates","299612","2025-05-10","01:50:20",""
"2023495","13.9944","0.0008","11.0371","0.0007","9.056","0.0005","90","","99.936","0.002","90","","1377.79","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-Cyano-<i>N</i>'-(3,4,5-trimethoxybenzylidene)acetohydrazide","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C52 H60 N12 O16 -","4","1","TX2097","Maheswari, Subramani Uma; Senthilkumar, Srinivasan; Selvanayagam, Sivashanmugam","Crystal structure and Hirshfeld surface analysis of (E)-2-cyano-N′-(3,4,5-trimethoxybenzylidene)acetohydrazide","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003913","","","0.71073","MoKα","","0.1228","0.053","","","0.115","0.1558","","","","","","1.054","","","","has coordinates","299613","2025-05-10","01:50:42",""
"2023496","10.5367","0.0004","10.9088","0.0005","14.1593","0.0007","92.782","0.004","109.796","0.004","104.077","0.004","1469.98","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-thiosemicarbazide-κ^3^<i>N</i>^1^,<i>S</i>:<i>S</i>;κ^3^<i>S</i>:<i>N</i>^1^,<i>S</i>)bis[(dimethylformamide-κ<i>O</i>)(thiosemicarbazide-κ^2^<i>N</i>^1^,<i>S</i>)cadmium(II)] tetrakis(2,4,6-trinitrophenolate)","","- C34 H42 Cd2 N26 O30 S4 -","- C34 H42 Cd2 N26 O30 S4 -","- C34 H42 Cd2 N26 O30 S4 -","1","0.5","HB8138","Santhakumaria, R.; Ramamurthi, K.; Kaur, Manpreet; Jasinski, Jerry P.; Sagadevane, Suresh; Stoeckli-Evans, Helen","Bis(μ-thiosemicarbazide-κ3 N 1,S:S;κ3 S:N 1,S)bis[(dimethylformamide-κO)(thiosemicarbazide-κ2 N 1,S)cadmium(II)] tetrakis(2,4,6-trinitrophenolate): synthesis, crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003974","","x-ray","1.54184","CuKα","","0.0421","0.0371","","","0.0913","0.0952","","","","","","1.019","","","","has coordinates,has disorder","299647","2025-05-14","01:56:36",""
"2023497","7.6956","0.0003","8.6895","0.0004","8.9468","0.0004","74.633","0.002","83.237","0.002","73.008","0.002","551.18","0.04","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","1-(4-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one","","- C11 H11 F O S2 -","- C11 H11 F O S2 -","- C22 H22 F2 O2 S4 -","2","1","NX2025","Mohan Kumar, Thaluru M.; Bhaskar, Besagarahally L.; Bhavya, Papegowda; Divakara, Thayamma R.; Shankara Prasad, Holehundi J.; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structure and Hirshfeld-surface analysis of 1-(4-fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004189","","","0.71073","MoKα","","0.0265","0.0247","","","0.0632","0.0645","","","","","","1.108","","","","has coordinates","299648","2025-05-14","01:56:52",""
"2023498","11.5409","0.0007","10.9018","0.0006","14.3799","0.0008","90","","103.427","0.002","90","","1759.78","0.17","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3,4,5-Trihydroxy-<i>N</i>'-(3,4,5-trimethoxybenzylidene)benzohydrazide monohydrate","","- C17 H20 N2 O8 -","- C17 H20 N2 O8 -","- C68 H80 N8 O32 -","4","1","TX2096","Lo, Mamadou; Sene, Bineta; Pouye, Adji Fatou Fall; Lee, Arie van der; Gassama, Abdoulaye; Richeter, Sébastien","Synthesis and structure of (E)-3,4,5-trihydroxy-N′-(3,4,5-trimethoxybenzylidene)benzohydrazide monohydrate","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004001","","","0.71073","MoKα","","0.055","0.0349","","","0.0551","0.0621","","","","","","1.084","","","","has coordinates,has disorder","299649","2025-05-14","01:57:35",""
"2023499","15.1487","0.0001","9.2389","0.0001","10.8661","0.0001","90","","94.242","0.001","90","","1516.62","0.02","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Chloromethyl 2-[2-(2,6-dichlorophenylamino)phenyl]acetate","","- C15 H12 Cl3 N O2 -","- C15 H12 Cl3 N O2 -","- C60 H48 Cl12 N4 O8 -","4","1","NU2009","Keydel, Tobias; Bandaru, Siva S. M.; Schulig, Lukas; Link, Andreas; Schulzke, Carola","Crystal structure of chloromethyl 2-[2-(2,6-dichlorophenylamino)phenyl]acetate","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004074","","","1.54184","CuKα","","0.0319","0.0307","","","0.0799","0.0809","","","","","","1.071","","","","has coordinates","299650","2025-05-14","01:58:09",""
"2023500","12.4498","0.0005","14.5714","0.0006","22.1464","0.001","90","","97.726","0.001","90","","3981.1","0.3","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H33 F6 I P2 Pd -","- C44 H33 F6 I P2 Pd -","- C176 H132 F24 I4 P8 Pd4 -","4","1","JY2058","Bosch, Eric","Phenyl palladium(II) iodide complexes isolated after Sonogashira coupling of iodobenzenes with terminal alkynes","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004025","","","0.71073","MoKα","","0.0301","0.0278","","","0.0661","0.0677","","","","","","1.0247","","","","has coordinates","299652","2025-05-14","01:59:27",""
"2023501","11.7692","0.0007","34.87","0.002","10.4381","0.0006","90","","99.92","0.001","90","","4219.7","0.4","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(3,5-Dinitrophenyl)iodidobis(triphenylphosphane)palladium(II) ethyl acetate monosolvate","","- C46 H41 I N2 O6 P2 Pd -","- C46 H41 I N2 O6 P2 Pd -","- C184 H164 I4 N8 O24 P8 Pd4 -","4","1","JY2058","Bosch, Eric","Phenyl palladium(II) iodide complexes isolated after Sonogashira coupling of iodobenzenes with terminal alkynes","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004025","","","0.71073","MoKα","","0.058","0.0446","","","0.0854","0.0911","","","","","","1.0549","","","","has coordinates","299652","2025-05-14","01:59:27",""
"2023502","11.6327","0.0005","12.8059","0.0005","23.4327","0.0009","90","","93.218","0.002","90","","3485.2","0.2","100","2","100.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C42 H32 F3 I P2 Pd -","- C42 H32 F3 I P2 Pd -","- C168 H128 F12 I4 P8 Pd4 -","4","0.5","JY2058","Bosch, Eric","Phenyl palladium(II) iodide complexes isolated after Sonogashira coupling of iodobenzenes with terminal alkynes","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004025","","","0.71073","MoKα","","0.0223","0.0214","","","0.0515","0.0522","","","","","","1.0523","","","","has coordinates,has disorder","299652","2025-05-14","01:59:27",""
"2023503","11.5608","0.0005","11.6437","0.0005","18.1311","0.0008","76.426","0.001","77.722","0.001","81.344","0.001","2305.16","0.17","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H34 Cl4 F3 I3 P2 Pd -","- C44 H34 Cl4 F3 I3 P2 Pd -","- C88 H68 Cl8 F6 I6 P4 Pd2 -","2","1","JY2058","Bosch, Eric","Phenyl palladium(II) iodide complexes isolated after Sonogashira coupling of iodobenzenes with terminal alkynes","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004025","","","0.71073","MoKα","","0.0417","0.0299","","","0.057","0.0618","","","","","","1.0564","","","","has coordinates,has disorder","299652","2025-05-14","01:59:28",""
"2023504","4.8393","0.0002","12.4928","0.0004","27.3101","0.0009","90","","90","","90","","1651.07","0.1","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-{[(9<i>H</i>-Fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","1","VU2009","Abubakar Magaji, Mubarak; Chen, Beining; Robertson, Craig Collumbine","Synthesis, crystal structure and Hirshfeld surface analysis of Fmoc-β-amino butyric acid and Fmoc carbamate","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003810","","","1.54178","CuKα","","0.0403","0.0324","","","0.0693","0.0731","","","","","","1.062","","","","has coordinates","299653","2025-05-14","02:00:09",""
"2023505","15.356","0.0003","5.04","0.0001","31.0254","0.0007","90","","90","","90","","2401.19","0.09","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C120 H104 N8 O16 -","8","2","VU2009","Abubakar Magaji, Mubarak; Chen, Beining; Robertson, Craig Collumbine","Synthesis, crystal structure and Hirshfeld surface analysis of Fmoc-β-amino butyric acid and Fmoc carbamate","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003810","","","1.54178","CuKα","","0.0345","0.0295","","","0.0647","0.0678","","","","","","1.047","","","","has coordinates","299653","2025-05-14","02:00:16",""
"2023506","5.1639","0.0002","11.1078","0.0003","14.8132","0.0005","90","","92.868","0.004","90","","848.61","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dtdpe 1,8-diphenyl-3,6-dithiaoctane-1,8-dione","2-({2-[(2-oxo-2-phenylethyl)sulfanyl]ethyl}sulfanyl)-1-phenylethan-1-one","","- C18 H18 O2 S2 -","- C18 H18 O2 S2 -","- C36 H36 O4 S4 -","2","0.5","JY2055","O'Connor, Molly A.; Pavlishchuk, Anna V.; Butcher, Raymond J.; Pavlishchuk, Vitaly V.; Addison, Anthony W.","Some thioether-ketones and their related derivatives","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004037","","","1.54184","CuKα","","0.0551","0.0462","","","0.1228","0.1305","","","","","","1.114","","","","has coordinates","299654","2025-05-14","02:05:40",""
"2023507","13.1307","0.0003","5.0945","0.0001","19.2847","0.0005","90","","93.167","0.002","90","","1288.07","0.05","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Mtdp, 1,5-diphenyl-3-thiapentane-1,5-dione","2-[(2-Oxo-2-phenylethyl)sulfanyl]-1-phenylethan-1-one","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","0.5","JY2055","O'Connor, Molly A.; Pavlishchuk, Anna V.; Butcher, Raymond J.; Pavlishchuk, Vitaly V.; Addison, Anthony W.","Some thioether-ketones and their related derivatives","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004037","","","1.54184","CuKα","","0.0377","0.0312","","","0.0797","0.0836","","","","","","1.097","","","","has coordinates","299654","2025-05-14","02:05:51",""
"2023508","5.3442","0.0004","24.9746","0.0018","10.3552","0.0007","90","","99.789","0.003","90","","1361.98","0.17","102","2","102","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Prpsb, 1,10-bis(2'-pyridylhydrazono)-3,8-dithia-1,10-diphenyldecane","2-[(2<i>E</i>,12<i>E</i>)-3,12-Diphenyl-14-(pyridin-2-yl)-5,10-dithia-1,2,13,14-tetraazatetradeca-2,12-dien-1-yl]pyridine","","- C30 H32 N6 S2 -","- C30 H32 N6 S2 -","- C60 H64 N12 S4 -","2","0.5","JY2055","O'Connor, Molly A.; Pavlishchuk, Anna V.; Butcher, Raymond J.; Pavlishchuk, Vitaly V.; Addison, Anthony W.","Some thioether-ketones and their related derivatives","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004037","","","0.71073","MoKα","","0.0745","0.0647","","","0.1669","0.1777","","","","","","1.031","","","","has coordinates","299654","2025-05-14","02:06:05",""
"2023509","9.1219","0.0003","8.6565","0.0002","17.7935","0.0007","90","","92.195","0.003","90","","1404.01","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>E</i>,8<i>Z</i>)-3,9-Dimethyl-1,11-dithia-4,5,7,8-tetraazacyclotetradeca-3,8-diene-6-thione","","- C10 H18 N4 S3 -","- C10 H18 N4 S3 -","- C40 H72 N16 S12 -","4","1","JY2055","O'Connor, Molly A.; Pavlishchuk, Anna V.; Butcher, Raymond J.; Pavlishchuk, Vitaly V.; Addison, Anthony W.","Some thioether-ketones and their related derivatives","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004037","","","1.54184","CuKα","","0.0321","0.0307","","","0.0854","0.0865","","","","","","1.082","","","","has coordinates","299654","2025-05-14","02:06:15",""
"2023510","34.4957","0.0002","10.4262","0.0001","37.9992","0.0003","90","","115.604","0.001","90","","12324.7","0.2","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","Dhpk","2-((2<i>E</i>)-2-{(2<i>Z</i>)-2-Phenyl-2-[2-(pyridin-2-yl)hydrazin-1-ylidene]ethylidene}hydrazin-1-yl)pyridine","","- C18 H16 N6 -","- C18 H16 N6 -","- C576 H512 N192 -","32","4","JY2055","O'Connor, Molly A.; Pavlishchuk, Anna V.; Butcher, Raymond J.; Pavlishchuk, Vitaly V.; Addison, Anthony W.","Some thioether-ketones and their related derivatives","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004037","","","1.54184","CuKα","","0.055","0.0411","","","0.1233","0.1384","","","","","","1.041","","","","has coordinates","299654","2025-05-14","02:06:26",""
"2023511","10.2352","0.0014","14.3939","0.0014","19.12","0.003","90","","98.121","0.012","90","","2788.6","0.6","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1',4'-Diphenyl-1a,1',4',4'',5'',9b-hexahydro-2''<i>H</i>-dispiro[cyclopropa[l]phenanthrene-1,2'-[1,4]epoxynaphthalene-3',3''-thiophene]","","- C39 H30 O S -","- C39 H30 O S -","- C156 H120 O4 S4 -","4","1","HB8140","Wen, Yuewei; Thamattoor, Dasan M.","Synthesis and structure of 1′,4′-diphenyl-1a,1′,4′,4′′,5′′,9b-hexahydro-2′′H-dispiro[cyclopropa[l]phenanthrene-1,2′-[1,4]epoxynaphthalene-3′,3′′-thiophene]","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004104","","x-ray","0.71073","MoKα","","0.0669","0.0482","","","0.1067","0.1169","","","","","","1.039","","","","has coordinates","299655","2025-05-14","02:07:03",""
"2023512","15.6136","0.0001","7.2214","0.0001","10.7929","0.0001","90","","104.622","0.001","90","","1177.51","0.02","99.98","0.1","99.98","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-[2,2-Dichloro-1-hydroxy-3-(4-methylphenyl)-3-oxopropyl]urea","","- C10 H9 Cl2 F N2 O3 -","- C10 H9 Cl2 F N2 O3 -","- C40 H36 Cl8 F4 N8 O12 -","4","1","HB8127","Guseinov, Firudin I.; Hökelek, Tuncer; Afanaseva, Ksenia A.; Shuvalova, Elena V.; Glukhov, Lev M.; Samigullina, Aida I.; Belay, Alebel N.","Syntheses and structures of 1-[2,2-dichloro-1-hydroxy-3-(4-methylphenyl)-3-oxopropyl]urea and 1-[2,2-dichloro-3-(4-fluorophenyl)-1-hydroxy-3-oxopropyl]urea","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004359","","x-ray","1.54184","CuKα","","0.0321","0.0314","","","0.081","0.0815","","","","","","1.061","","","","has coordinates","299763","2025-05-21","02:05:24",""
"2023513","12.62183","0.00013","8.77585","0.00009","11.5993","0.00011","90","","94.8294","0.0009","90","","1280.26","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[2,2-Dichloro-3-(4-fluorophenyl)-1-hydroxy-3-oxopropyl]urea","","- C11 H12 Cl2 N2 O3 -","- C11 H12 Cl2 N2 O3 -","- C44 H48 Cl8 N8 O12 -","4","1","HB8127","Guseinov, Firudin I.; Hökelek, Tuncer; Afanaseva, Ksenia A.; Shuvalova, Elena V.; Glukhov, Lev M.; Samigullina, Aida I.; Belay, Alebel N.","Syntheses and structures of 1-[2,2-dichloro-1-hydroxy-3-(4-methylphenyl)-3-oxopropyl]urea and 1-[2,2-dichloro-3-(4-fluorophenyl)-1-hydroxy-3-oxopropyl]urea","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004359","","x-ray","1.54184","CuKα","","0.0374","0.0368","","","0.1031","0.1038","","","","","","1.055","","","","has coordinates","299763","2025-05-21","02:05:34",""
"2023514","8.4446","0.0002","14.0911","0.0002","13.588","0.0002","90","","96.133","0.001","90","","1607.63","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[1,2-bis(3,5-dimethylphenyl)ethylene-1,2-dithiolato(1-)]nickel(II)","","- C36 H36 Ni S4 -","- C36 H36 Ni S4 -","- C72 H72 Ni2 S8 -","2","0.5","JY2060","Das Gupta, Titir; Guite, Jackson; Hirt, LiWen; Zhang, Xiaodong; Donahue, James P.","Bis[1,2-bis(3,5-dimethylphenyl)ethylene-1,2-dithiolato(1−)]nickel(II)","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004293","","","1.54178","CuKα","","0.0428","0.0238","","","0.0641","0.066","","","","","","1.076","","","","has coordinates","299764","2025-05-21","02:06:04",""
"2023515","4.2126","0.0001","9.6687","0.0001","26.8628","0.0005","90","","94.186","0.001","90","","1091.21","0.03","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Fluorocytosine–4-hydroxybenzaldehyde (1/1)","4-Amino-5-fluoro-1<i>H</i>-pyrimidin-2-one–4-hydroxybenzaldehyde (1/1)","","- C11 H10 F N3 O3 -","- C11 H10 F N3 O3 -","- C44 H40 F4 N12 O12 -","4","1","OI2017","Sangavi, Marimuthu; Mohana, Marimuthu; Butcher, Ray J.; McMillen, Colin D.","Crystal engineering of a 1:1 5-fluorocytosine–4-hydroxybenzaldehyde cocrystal: insights from X-ray crystallography and Hirshfeld analysis","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004463","","","1.54184","CuKα","","0.0354","0.0342","","","0.0998","0.101","","","","","","1.041","","","","has coordinates","299807","2025-05-24","02:01:41",""
"2023516","7.6375","0.0005","11.0324","0.0006","30.2019","0.0008","90","","93.983","0.001","90","","2538.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dimethyl 3-methyl-8-{[4-(trifluoromethyl)phenyl]sulfonyl}-7,8-dihydro-4<i>H</i>-4,6a-epoxybenzo[<i>b</i>]naphtho[1,8-<i>de</i>]azepine-5,6-dicarboxylate","","- C29 H22 F3 N O7 S -","- C29 H22 F3 N O7 S -","- C116 H88 F12 N4 O28 S4 -","4","1","NX2026","Burkin, Gleb M.; Annadurdyyeva, Selbi; Kutasevich, Alexandra G.; Guliyeva, Narmina A.; Hasanov, Khudayar I.; Akkurt, Mehmet; Manahelohe, Gizachew Mulugeta","Crystal structure and Hirshfeld surface analysis of dimethyl 3-methyl-8-{[4-(trifluoromethyl)phenyl]sulfonyl}-7,8-dihydro-4H-4,6a-epoxybenzo[b]naphtho[1,8-de]azepine-5,6-dicarboxylate","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004426","","","1.54184","CuKα","","0.0386","0.0368","","","0.1007","0.1028","","","","","","1.046","","","","has coordinates,has disorder","299808","2025-05-24","02:02:00",""
"2023517","12.9873","0.0003","13.2021","0.0003","17.91","0.0004","90","","95.796","0.001","90","","3055.14","0.12","173","2","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>exo</i>-1,2,3,5-Tetraphenyl-1a',9b'-dihydrospiro[bicyclo[3.1.0]hexane-6,1'-cyclopropa[<i>l</i>]phenanthren]-2-en-4-one","","- C44 H30 O -","- C44 H30 O -","- C176 H120 O4 -","4","1","YY2017","Roth, Alexander D.; Thamattoor, Dasan M.","Crystal structure, computational study, and Hirshfeld analysis of exo-1,2,3,5-tetraphenyl-1a',9b'-dihydrospiro[bicyclo[3.1.0]hexane-6,1′-cyclopropa[l]phenanthren]-2-en-4-one","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","554","558","10.1107/S2056989025004414","","","0.71073","MoKα","","0.1193","0.0661","","","0.1575","0.208","","","","","","1.047","","","","has coordinates","299887","2025-05-31","02:13:27",""
"2023518","25.577","0.004","18.632","0.003","22.463","0.004","90","","94.335","0.006","90","","10674","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[[(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')zinc(II)]-μ-1,4-bis(1<i>H</i>-imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^1^:<i>N</i>^1'^] hemi{bis[μ-1,4-bis(1<i>H</i>-imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^1^:<i>N</i>^1'^]bis[(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')zinc(II)]}] nonahydrate]","","- C42 H52 N10 O17 Zn2 -","- C42 H34 N10 O17 Zn2 -","- C336 H272 N80 O136 Zn16 -","8","1","WM5758","Kummuang, Chanikarn; Chainok, Kittipong; Wannarit, Nanthawat","Crystal structure and characterization of a new chain-like polyrotaxane zinc(II) coordination polymer with mixed pyridine-2,6-dicarboxylate and 1,4-bis(1H-imidazol-1-ylmethyl)benzene ligands","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","559","564","10.1107/S2056989025004608","","x-ray","0.71073","MoKα","","0.0659","0.055","","","0.1727","0.1852","","","","","","1.053","","","","has coordinates,has disorder","299888","2025-05-31","02:14:28",""
"2023519","5.5192","0.0003","7.6756","0.0003","11.6518","0.0005","77.439","0.003","89.579","0.003","88.625","0.002","481.65","0.04","293","","293","","","","","","","","commercial, Alfa Aesar","5","P -1","-P 1","2","Calcium bi-tetrafluoroborate tetrahydrate","Calcium bis(tetrafluoroborate) tetrahydrate Ca(BF~4~)~2~.<i>x</i>H~2~O","","- B2 Ca F8 H8 O4 -","- B2 Ca F8 H8 O4 -","- B4 Ca2 F16 H16 O8 -","2","1","VX3013","Armel Le Bail","Ca(BF~4~)~2~.<i>x</i>H~2~O redefined from powder diffraction as hydrogen-bonded Ca(H~2~O)~4~(BF~4~)~2~ ribbons","Acta Crystallographica, Section C","2025","81","6","338","341","10.1107/S2053229625004395","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","","4.267","","","","","","","has coordinates,has Fobs","300090","2025-06-15","11:58:07",""
"2023520","24.9533","0.0007","4.6575","0.0001","8.1543","0.0002","90","","105.695","0.001","90","","912.36","0.04","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","<i>catena</i>-Poly[[bis(nitrato-κ^2^<i>O</i>,<i>O</i>')strontium(II)]-di-μ-<i>L</i>-histidine-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^2^<i>O</i>:<i>O</i>']","","- C12 H18 N8 O10 Sr -","- C12 H18 N8 O10 Sr -","- C24 H36 N16 O20 Sr2 -","2","0.5","HB8141","Marimuthu, Sathish; Balakrishnan, Thangavelu; Percino, M. Judith; Venkatesan, Perumal","Synthesis and crystal structure of catena-poly[[bis(nitrato-κ2 O,O′)strontium(II)]-di-μ-L-histidine-κ3 O,O′:O;κ2 O:O′]","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004694","","","0.71073","MoKα","","0.0161","0.0161","","","0.0451","0.0451","","","","","","1.13","","","","has coordinates","300209","2025-06-26","02:31:35",""
"2023521","4.853","0.0003","7.3504","0.0005","29.862","0.003","93.584","0.006","90.385","0.005","99.905","0.005","1047.13","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-Azido-<i>N</i>-(2,6-dimethylphenyl)acetamide","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C40 H48 N16 O4 -","4","2","ZN2043","El Moutaouakil Ala Allah, Abderrazzak; Kariuki, Benson M.; Al-Sulami, Ahlam I.; Basha, Maram T.; Allehyani, Basmah H.; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","Synthesis, crystal structure and Hirshfeld surface analysis of 2-azido-N-(2,6-dimethylphenyl)acetamide","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004530","","","1.54184","CuKα","","0.104","0.0757","","","0.2208","0.2441","","","","","","1.084","","","","has coordinates","300210","2025-06-26","02:31:59",""
"2023522","8.5327","0.0012","11.0216","0.0015","11.4369","0.0016","111.817","0.004","96.977","0.004","99.925","0.004","963.1","0.2","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","Diphenylmethyl 2-(3,5-dimethoxyphenyl)acetate","","- C23 H22 O4 -","- C23 H22 O4 -","- C46 H44 O8 -","2","1","WM5759","Kavitha, Manivel; Jayakodi, Chandiran; Meenambigai, Ganesan; Janarthanan, Sekar; Pazhamalai, Srinivasan; Selvanayagam, Sivashanmugam","Crystal structures and Hirshfeld surface analyses of diphenylmethyl 2-(3,5-dimethoxyphenyl)acetate and diphenylmethyl 2-(3,4,5-trimethoxyphenyl)acetate","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004943","","","0.71073","MoKα","","0.1176","0.0646","","","0.1633","0.2024","","","","","","1.038","","","","has coordinates","300211","2025-06-26","02:32:21",""
"2023523","17.229","0.0014","5.5037","0.0005","22.114","0.0018","90","","92.256","0.002","90","","2095.3","0.3","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Diphenylmethyl 2-(3,4,5-trimethoxyphenyl)acetate","","- C24 H24 O5 -","- C24 H24 O5 -","- C96 H96 O20 -","4","1","WM5759","Kavitha, Manivel; Jayakodi, Chandiran; Meenambigai, Ganesan; Janarthanan, Sekar; Pazhamalai, Srinivasan; Selvanayagam, Sivashanmugam","Crystal structures and Hirshfeld surface analyses of diphenylmethyl 2-(3,5-dimethoxyphenyl)acetate and diphenylmethyl 2-(3,4,5-trimethoxyphenyl)acetate","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004943","","","0.71073","MoKα","","0.1295","0.0574","","","0.1346","0.1762","","","","","","1.004","","","","has coordinates","300211","2025-06-26","02:32:23",""
"2023524","19.2621","0.0002","7.20455","0.00011","23.1309","0.0003","90","","92.2617","0.0012","90","","3207.48","0.07","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","5,5-Difluoro-10-[5-(trimethylsilyl)furan-2-yl]-5<i>H</i>-4λ^4^,5λ^4^-dipyrrolo[1,2-<i>c</i>:2',1'-<i>f</i>][1,3,2]diazaborinine","","- C16 H17 B F2 N2 O Si -","- C16 H17 B F2 N2 O Si -","- C128 H136 B8 F16 N16 O8 Si8 -","8","1","VM2314","Shchevnikov, Dmitriy M.; Kutasevich, Alexandra G.; Khrustalev, Victor N.; Guliyeva, Narmina A.; Hasanov, Khudayar I.; Akkurt, Mehmet; Manahelohe, Gizachew Mulugeta","Crystal structure and Hirshfeld surface analysis of 5,5-difluoro-10-[5-(trimethylsilyl)furan-2-yl]-5H-4λ4,5λ4-dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004888","","","1.54184","CuKα","","0.043","0.0388","","","0.0997","0.1022","","","","","","1.059","","","","has coordinates","300212","2025-06-26","02:32:52",""
"2023525","10.8384","0.0001","20.0381","0.0002","8.2914","0.0001","90","","91.342","0.001","90","","1800.24","0.03","295.8","0.3","295.8","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-acetato-bis({<i>N</i>,<i>N</i>-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamidato}zinc(II))","","- C34 H36 N8 O4 S2 Zn2 -","- C34 H36 N8 O4 S2 Zn2 -","- C68 H72 N16 O8 S4 Zn4 -","2","0.5","HB8133","Parry, Christian S.; Abraham, Alex R.; Kwofie, Samuel K.; Wilson, Michael D.; Ramadhar, Timothy R.; Butcher, Raymond J.","Syntheses and structures of dinuclear zinc(II) acetate-bridged coordination compounds with the aromatic Schiff base chelators N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide and N-ethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025005407","","x-ray","1.54184","CuKα","","0.0783","0.0687","","","0.2048","0.2166","","","","","","1.049","","","","has coordinates,has disorder","300213","2025-06-26","02:33:17",""
"2023526","9.328","0.0002","9.9979","0.0002","10.5761","0.0002","67.101","0.002","83.267","0.002","87.15","0.001","902.33","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-bis({<i>N</i>-ethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamidato}zinc(II))","","- C36 H40 N8 O4 S2 Zn2 -","- C36 H40 N8 O4 S2 Zn2 -","- C36 H40 N8 O4 S2 Zn2 -","1","0.5","HB8133","Parry, Christian S.; Abraham, Alex R.; Kwofie, Samuel K.; Wilson, Michael D.; Ramadhar, Timothy R.; Butcher, Raymond J.","Syntheses and structures of dinuclear zinc(II) acetate-bridged coordination compounds with the aromatic Schiff base chelators N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide and N-ethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025005407","","x-ray","1.54184","CuKα","","0.0386","0.0351","","","0.0926","0.0989","","","","","","1.071","","","","has coordinates","300213","2025-06-26","02:33:20",""
"2023527","9.728","0.0008","19.9593","0.0015","8.0087","0.0006","90","","93.23","0.004","90","","1552.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Ethyl-4-[(4-morpholinobenzylidene)amino]-2,4-dihydro-3<i>H</i>-1,2,4-triazole-3-thione","","- C15 H19 N5 O S -","- C15 H19 N5 O S -","- C60 H76 N20 O4 S4 -","4","1","VU2012","Nizamuddin, Syed; Prasad, T. N. Mahadeva; Sreenatha, N. R.; Sharath, C. L.; Lakshminarayana, B. N.; Vishnumurthy, K. A.","X-ray structural insights and computational analysis of the compound 5-ethyl-4-[(4-morpholinobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004852","","","0.71073","MoKα","","0.0968","0.0632","","","0.1685","0.1932","","","","","","1.008","","","","has coordinates","300214","2025-06-26","02:33:43",""
"2023528","7.447","0.002","20.916","0.008","8.446","0.003","90","","93.347","0.009","90","","1313.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(Pyren-1-ylmethylidene)amino]ethanol","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","EE2014","Eltayeb, Naser E.; Hökelek, Tuncer; Lasri, Jamal","Crystal structure and Hirshfeld surface analyses, crystal voids, interaction energy calculations and energy frameworks of (E)-2-[(pyren-1-ylmethylidene)amino]ethanol","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004451","","","0.71073","MoKα","","0.0476","0.0379","","","0.0992","0.106","","","","","","1.039","","","","has coordinates","300215","2025-06-26","02:34:05",""
"2023529","8.581","0.0004","11.1448","0.0007","11.5757","0.0005","98.662","0.002","93.164","0.002","103.444","0.002","1059.71","0.1","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","1-[2-(2-Chloroethoxy)ethyl]-2-methyl-4-nitro-1<i>H</i>-imidazole","","- C8 H12 Cl N3 O3 -","- C8 H12 Cl N3 O3 -","- C32 H48 Cl4 N12 O12 -","4","2","NX2027","Mohan Kumar, Thaluru M.; Bhavya, Papegowda; Bhaskar, Besagarahally L.; Shankara Prasad, Holehundi J.; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structure and Hirshfeld surface analysis of 1-[2-(2-chloroethoxy)ethyl]-2-methyl-4-nitro-1H-imidazole","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025005493","","","0.71073","MoKα","","0.0363","0.0306","","","0.0722","0.0758","","","","","","1.057","","","","has coordinates,has disorder","300216","2025-06-26","02:34:21",""
"2023530","8.8634","0.0005","10.3453","0.0007","11.6777","0.0007","74.199","0.004","79.749","0.004","87.58","0.004","1013.85","0.11","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","Tris(2-methyl-1<i>H</i>-imidazol-3-ium) benzene-1,3,5-tricarboxylate","","- C21 H24 N6 O6 -","- C21 H24 N6 O6 -","- C42 H48 N12 O12 -","2","1","JQ2040","Łukaszczyk, Weronika; Lohse, Allegra; Leibing, Julia; Yildizbas, Sudem; Rizvanovic, Irwana; Techert, Simone; Velazquez-Garcia, Jose de Jesus","Crystal structure of tris(2-methyl-1H-imidazol-3-ium) benzene-1,3,5-tricarboxylate","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004748","","","0.71073","MoKα","","0.0521","0.0389","","","0.0964","0.1022","","","","","","1.05","","","","has coordinates,has disorder","300217","2025-06-26","02:34:40",""
"2023531","7.7053","0.0003","9.701","0.0003","15.0316","0.0005","104.535","0.001","95.922","0.001","90.227","0.001","1081.31","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Chlorido(2,6-dimethylphenyl isocyanide)[<i>N</i>'-(2,6-dimethylphenyl)-<i>N</i>-(pyridin-2-yl)carbamimidoyl]platinum(II)","","- C23 H23 Cl N4 Pt -","- C23 H23 Cl N4 Pt -","- C46 H46 Cl2 N8 Pt2 -","2","1","TX2098","Repina, Olga V.; Nevskaya, Elena Yu.; Kritchenkov, Ilya S.; Khrustalev, Victor N.; Novikov, Alexander S.; Tskhovrebov, Alexander G.; Shikhaliyev, Namiq Q.; Niyazova, Aytan A.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of chlorido(2,6-dimethylphenyl isocyanide)[N′-(2,6-dimethylphenyl)-N-(pyridin-2-yl)carbamimidoyl]platinum(II)","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025005079","","","0.71073","MoKα","","0.0376","0.0296","","","0.0685","0.0712","","","","","","1.093","","","","has coordinates","300218","2025-06-26","02:34:55",""
"2023532","6.31","0.0002","9.8179","0.0002","13.3493","0.0004","90.522","0.001","98.818","0.001","99.478","0.001","805.57","0.04","299","2","299","","","","","","","","","7","P -1","-P 1","2","","Bis[2-amino-5-(ethylsulfanyl)-1,3,4-thiadiazol-3-ium] bis(perchlorato-κ<i>O</i>)bis(picolinato-κ^2^<i>N</i>,<i>O</i>)copper(II)","","- C20 H24 Cl2 Cu N8 O12 S4 -","- C20 H21 Cl2 Cu N8 O12 S4 -","- C20 H21 Cl2 Cu N8 O12 S4 -","1","0.5","TX2099","Khojabaeva, Gulnaz; Torambetov, Batirbay; Gonnade, Rajesh G.; Uzakbergenova, Zamira; Rasulov, Abdusamat; Kadirova, Shakhnoza","Synthesis, crystal structure and Hirshfeld surface analysis of bis[2-amino-5-(ethylsulfanyl)-1,3,4-thiadiazol-3-ium] bis(perchlorato-κO)bis(picolinato-κ2 N,O)copper(II)","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004992","","","0.71073","MoKα","","0.0401","0.0347","","","0.0939","0.0992","","","","","","1.031","","","","has coordinates,has disorder","300219","2025-06-26","02:35:09",""
"2023533","10.6463","0.0002","7.7151","0.0002","11.1774","0.0003","90","","103.272","0.001","90","","893.56","0.04","296","2","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-2-[(1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole","","- C6 H5 N3 S3 -","- C6 H5 N3 S3 -","- C24 H20 N12 S12 -","4","1","DX2067","Kinshakova, Ekaterina; Torambetov, Batirbay; Bharty, Manoj K.; Atashov, Aziz; Rasulov, Abdusamat; Kadirova, Shakhnoza; Gonnade, Rajesh G.","Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-2-[(1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004980","","","0.71073","MoKα","","0.0407","0.0335","","","0.0807","0.0876","","","","","","1.047","","","","has coordinates","300220","2025-06-26","02:35:23",""
"2023534","12.6882","0.0008","18.853","0.0012","9.3914","0.0006","90","","102.806","0.006","90","","2190.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 Au Br5 N2 -","- C12 H28 Au Br5 N2 -","- C48 H112 Au4 Br20 N8 -","4","0.5","YZ2066","Döring, Cindy; Jones, Peter G.","Crystal structures of three 4-methylpiperidinium salts (one as three polymorphs) with tetrahalogenidoaurate(III), halide and (in one case) dichloroiodate(I) counter-anions","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004918","","","0.71073","MoKα","","0.0476","0.0316","","","0.0482","0.0526","","","","","","1.055","","","","has coordinates","300221","2025-06-26","02:36:48",""
"2023535","11.9196","0.0004","8.5545","0.0003","19.9052","0.0007","90","","102.955","0.004","90","","1978","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-methylpiperidinium) tetrabromidoaurate(III) bromide","","- C12 H28 Au Cl5 N2 -","- C12 H28 Au Cl5 N2 -","- C48 H112 Au4 Cl20 N8 -","4","1","YZ2066","Döring, Cindy; Jones, Peter G.","Crystal structures of three 4-methylpiperidinium salts (one as three polymorphs) with tetrahalogenidoaurate(III), halide and (in one case) dichloroiodate(I) counter-anions","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004918","","","0.71073","MoKα","","0.0418","0.0272","","","0.0474","0.0513","","","","","","1.047","","","","has coordinates","300221","2025-06-26","02:36:51",""
"2023536","18.7771","0.0008","10.6891","0.0004","20.5603","0.0009","90","","99.284","0.005","90","","4072.6","0.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Bis(4-methylpiperidinium) tetrachloridoaurate(III) chloride","","- C12 H28 Au Cl5 N2 -","- C12 H28 Au Cl5 N2 -","- C96 H224 Au8 Cl40 N16 -","8","2","YZ2066","Döring, Cindy; Jones, Peter G.","Crystal structures of three 4-methylpiperidinium salts (one as three polymorphs) with tetrahalogenidoaurate(III), halide and (in one case) dichloroiodate(I) counter-anions","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004918","","","0.71073","MoKα","","0.0707","0.0386","","","0.0571","0.0647","","","","","","1.04","","","","has coordinates,has disorder","300221","2025-06-26","02:36:52",""
"2023537","14.4553","0.0006","15.1302","0.0005","24.3885","0.0006","90.797","0.003","98.137","0.003","106.407","0.004","5057.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-methylpiperidinium) tetrachloridoaurate(III) chloride","","- C12 H28 Au Cl5 N2 -","- C12 H28 Au Cl5 N2 -","- C120 H280 Au10 Cl50 N20 -","10","5","YZ2066","Döring, Cindy; Jones, Peter G.","Crystal structures of three 4-methylpiperidinium salts (one as three polymorphs) with tetrahalogenidoaurate(III), halide and (in one case) dichloroiodate(I) counter-anions","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004918","","","0.71073","MoKα","","0.0662","0.0414","","","0.0768","0.0843","","","","","","1.055","","","","has coordinates","300221","2025-06-26","02:37:01",""
"2023538","9.5362","0.0005","13.4772","0.0006","13.7179","0.0007","98.422","0.004","108.961","0.005","96.954","0.004","1622.37","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Hexakis(4-methylpiperidinium) tetrakis{tetrachloridoaurate(III)} dichloroiodate(I) chloride","","- C36 H84 Au4 Cl19 I N6 -","- C36 H84 Au4 Cl19 I N6 -","- C36 H84 Au4 Cl19 I N6 -","1","0.5","YZ2066","Döring, Cindy; Jones, Peter G.","Crystal structures of three 4-methylpiperidinium salts (one as three polymorphs) with tetrahalogenidoaurate(III), halide and (in one case) dichloroiodate(I) counter-anions","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004918","","","0.71073","MoKα","","0.0409","0.0292","","","0.0433","0.0459","","","","","","1.053","","","","has coordinates","300221","2025-06-26","02:37:03",""
"2023539","32.9033","0.0003","6.02694","0.00005","7.14998","0.00006","90","","95.5021","0.0008","90","","1411.35","0.02","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,5-Bis[(4-fluorophenyl)iminomethyl]furan","","- C18 H12 F2 N2 O -","- C18 H12 F2 N2 O -","- C72 H48 F8 N8 O4 -","4","0.5","WM5760","Lauer, Moira K.; Balaich, Gary J.; Iacono, Scott T.; Weeks, Nathan J.","Molecular and crystal structure of 2,5-bis[(4-fluorophenyl)iminomethyl]furan","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025005006","","x-ray","1.54184","CuKα","","0.0297","0.0286","","","0.0769","0.0779","","","","","","1.05","","","","has coordinates","300222","2025-06-26","02:37:48",""
"2023540","20.9094","0.0015","9.0361","0.0005","19.3753","0.0013","90","","122.36","0.008","90","","3092.2","0.4","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{ethyl 2-[1-methyl-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazol-5-yl]acetate}trinitratolanthanum(III)","","- C24 H28 La N11 O13 -","- C24 H28 La N11 O13 -","- C96 H112 La4 N44 O52 -","4","0.5","OO2010","Halushchenko, Valeriia; Korovin, Oleksandr; Rusakova, Natalya; Dyakonenko, Viktoriya; Khomenko, Dmytro; Lampeka, Rostyslav; Smola, Serhii","Crystal structure and supramolecular features of bis{ethyl 2-[1-methyl-3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]acetate}trinitratolanthanum(III)","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025005419","","","0.71073","MoKα","","0.0461","0.0346","","","0.0594","0.0617","","","","","","1.025","","","","has coordinates,has disorder","300223","2025-06-26","02:38:14",""
"2023541","19.9559","0.0009","9.8232","0.0005","14.0704","0.0007","90","","118.642","0.001","90","","2420.7","0.2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(benzothiazole-2-thiolato-κ<i>S</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)","","- C26 H16 N4 S4 Zn -","- C26 H16 N4 S4 Zn -","- C104 H64 N16 S16 Zn4 -","4","0.5","OX2015","Abdullayeva, Gulchekhra; Torambetov, Batirbay; Kadirova, Shakhnoza; Daminova, Shahlo","Synthesis and crystal structure analysis of bis(benzothiazole-2-thiolato-κS)(1,10-phenanthroline-κ2 N,N′)zinc(II)","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025005468","","","0.71073","MoKα","","0.0482","0.0361","","","0.0858","0.0932","","","","","","1.079","","","","has coordinates","300224","2025-06-26","02:38:33",""
"2023542","7.781","0.0006","15.6978","0.0011","25.966","0.002","90","","90","","90","","3171.6","0.4","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 2-[(4-cyanophenyl)methoxy]quinoline-4-carboxylate","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C152 H112 N16 O24 -","8","1","NU2008","El-Mrabet, Ayoub; Haoudi, Amal; Capet, Frederic; Hökelek, Tuncer; Ahmed, Mazzah","Crystal structure and Hirshfeld surface analyses, interaction energy calculations and energy frameworks of methyl 2-[(4-cyanophenyl)methoxy]quinoline-4-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","650","656","10.1107/S2056989025005547","","","0.71073","MoKα","","0.0543","0.0494","","","0.1321","0.1361","","","","","","1.048","","","","has coordinates","300256","2025-06-28","02:10:12",""
"2300745","7.9876","0.0002","8.2176","0.0002","17.125","0.0004","90","","91.141","0.002","90","","1123.84","0.05","119.99","0.1","119.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Br N2 S -","- C10 H13 Br N2 S -","- C40 H52 Br4 N8 S4 -","4","1","UI5023","Rohlíček, Jan; Eigner, Václav; Czernek, Jiří; Brus, Jiří","An advanced approach combining solid-state NMR with powder diffraction applied to newly synthesized iso-thio-uronium salts.","Journal of applied crystallography","2025","58","Pt 2","321","332","10.1107/S1600576724012378","","x-ray","1.54184","CuKα","","0.0258","0.0241","","","0.0723","0.0737","","","","1.45","1.45","1.43","","","","has coordinates","299193","2025-04-05","11:45:53",""
"2300746","5.6817","0.0004","7.4235","0.0005","29.057","0.002","90","","91.387","0.006","90","","1225.21","0.15","95","","95","","","","101","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 B F4 N2 S -","- C10 H13 B F4 N2 S -","- C40 H52 B4 F16 N8 S4 -","4","1","UI5023","Rohlíček, Jan; Eigner, Václav; Czernek, Jiří; Brus, Jiří","An advanced approach combining solid-state NMR with powder diffraction applied to newly synthesized iso-thio-uronium salts.","Journal of applied crystallography","2025","58","Pt 2","321","332","10.1107/S1600576724012378","","","1.54184","CuKα","","0.0834","0.0788","","0.2236","0.2211","0.2236","","","","","","1.0406","","","","has coordinates","299193","2025-04-05","11:46:03",""
"2300747","14.4689","0.0006","6.1901","0.0003","13.3423","0.0007","90","","115.672","0.004","90","","1077.03","0.1","95","0.4","95","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Br N2 S -","- C9 H13 Br N2 S -","- C36 H52 Br4 N8 S4 -","4","1","UI5023","Rohlíček, Jan; Eigner, Václav; Czernek, Jiří; Brus, Jiří","An advanced approach combining solid-state NMR with powder diffraction applied to newly synthesized iso-thio-uronium salts.","Journal of applied crystallography","2025","58","Pt 2","321","332","10.1107/S1600576724012378","","x-ray","1.54184","CuKα","","0.022","0.0206","","","0.0583","0.0601","","","","1.11","1.11","1.11","","","","has coordinates","299193","2025-04-05","11:46:04",""
"2300748","5.6075","0.0002","7.7882","0.0003","13.8649","0.0006","90","","95.836","0.003","90","","602.37","0.04","120","0.1","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H13 B F4 N2 S -","- C9 H13 B F4 N2 S -","- C18 H26 B2 F8 N4 S2 -","2","1","UI5023","Rohlíček, Jan; Eigner, Václav; Czernek, Jiří; Brus, Jiří","An advanced approach combining solid-state NMR with powder diffraction applied to newly synthesized iso-thio-uronium salts.","Journal of applied crystallography","2025","58","Pt 2","321","332","10.1107/S1600576724012378","","x-ray","1.54184","CuKα","","0.0293","0.0291","","","0.0776","0.0779","","","","1.65","1.65","1.64","","","","has coordinates,has disorder","299193","2025-04-05","11:46:04",""
"2300749","5.8011","0.0003","7.4127","0.0006","15.2291","0.0009","90","","90.776","0.005","90","","654.82","0.07","94.9","0.4","94.9","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H13 B F4 N2 S -","- C12 H13 B F4 N2 S -","- C24 H26 B2 F8 N4 S2 -","2","1","UI5023","Rohlíček, Jan; Eigner, Václav; Czernek, Jiří; Brus, Jiří","An advanced approach combining solid-state NMR with powder diffraction applied to newly synthesized iso-thio-uronium salts.","Journal of applied crystallography","2025","58","Pt 2","321","332","10.1107/S1600576724012378","","x-ray","1.54184","CuKα","","0.0341","0.0337","","","0.096","0.0964","","","","1.87","1.87","1.86","","","","has coordinates","299193","2025-04-05","11:46:04",""
"2300750","9.9063","","9.9063","","6.4357","","90","","90","","90","","631.566","","100","","100","","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C2 H2.25 F2 N Ni0.25 Sb0.25 -","- C2 H2.25 F1.99865 N Ni0.25 Sb0.249775 -","- C16 H18 F15.9892 N8 Ni2 Sb1.9982 -","8","0.5","","Scatena, Rebecca; Manson, Zachary E.; Villa, Danielle Y.; Manson, Jamie L.; Allan, David R.; Goddard, Paul A.; Johnson, Roger D.","Electron-density analysis of halide...halide through-space magnetic exchange","Journal of Applied Crystallography","2025","58","2","363","373","10.1107/S1600576725000536","","","0.6889","synchrotron","","0.0118","0.0118","","","0.0331","0.0331","","","","","","1.0413","","","","has coordinates","299191","2025-04-05","11:44:41",""
"2300751","11.7571","0.0001","11.7571","0.0001","10.1909","0.0001","90","","90","","90","","1408.68","0.02","100","","100","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C7 H9 Br0.5 N Ni0.25 -","- C7 H8 Br0.5 N Ni0.25 -","- C56 H64 Br4 N8 Ni2 -","8","0.5","","Scatena, Rebecca; Manson, Zachary E.; Villa, Danielle Y.; Manson, Jamie L.; Allan, David R.; Goddard, Paul A.; Johnson, Roger D.","Electron-density analysis of halide...halide through-space magnetic exchange","Journal of Applied Crystallography","2025","58","2","363","373","10.1107/S1600576725000536","","","0.6889","synchrotron","","0.0191","0.0165","","","0.0552","0.0561","","","","","","0.95","","","","has coordinates","299191","2025-04-05","11:44:42",""
"2300752","11.5371","0.0001","11.5371","0.0001","10.5513","0.0002","90","","90","","90","","1404.43","0.03","100","","100","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C7 H9 Cl0.5 N Ni0.25 -","- C7 H9 Cl0.5 N Ni0.25 -","- C56 H72 Cl4 N8 Ni2 -","8","0.5","","Scatena, Rebecca; Manson, Zachary E.; Villa, Danielle Y.; Manson, Jamie L.; Allan, David R.; Goddard, Paul A.; Johnson, Roger D.","Electron-density analysis of halide...halide through-space magnetic exchange","Journal of Applied Crystallography","2025","58","2","363","373","10.1107/S1600576725000536","","","0.6889","synchrotron","","0.028","0.0248","","","0.0754","0.0772","","","","","","1.0041","","","","has coordinates","299191","2025-04-05","11:44:42",""
"2300753","12.0231","","12.0231","","9.9896","","90","","90","","90","","1444.05","","100","","100","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C7 H9 I0.5 N Ni0.25 -","- C7 H9 I0.5 N Ni0.25 -","- C56 H72 I4 N8 Ni2 -","8","0.5","","Scatena, Rebecca; Manson, Zachary E.; Villa, Danielle Y.; Manson, Jamie L.; Allan, David R.; Goddard, Paul A.; Johnson, Roger D.","Electron-density analysis of halide...halide through-space magnetic exchange","Journal of Applied Crystallography","2025","58","2","363","373","10.1107/S1600576725000536","","","0.6889","synchrotron","","0.0082","0.0078","","","0.0194","0.0196","","","","","","1.0444","","","","has coordinates","299191","2025-04-05","11:44:42",""
"2300754","20.31","0.05","22.85","0.05","6.226","0.014","90","","90","","90","","2889","12","293","","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","nickel terephthalate trihydrate","","","- C8 H10 Ni O7 -","- C8 H10 Ni O7 -","- C96 H120 Ni12 O84 -","12","1.5","","Biehler, Erik; Pagola, Silvina; Stam, Daniel; Merkelbach, Johannes; Jandl, Christian; Abdel-Fattah, Tarek M","A comparison of microcrystal electron diffraction and X-ray powder diffraction for the structural analysis of metal-organic frameworks.","Journal of applied crystallography","2025","58","Pt 2","398","411","10.1107/S1600576724012068","","electron","0.02851","electron","","0.207","0.1157","","","0.2274","0.2467","","","","0","0","1.7456","","","","has coordinates","299192","2025-04-05","11:45:26",""
"2300755","18.22","0.11","6.54","0.04","7.28","0.04","90","","98.867","0.015","90","","857","9","293","","293","","","","","","","","synthesized from aqueous solution","4","C 1 2/c 1","-C 2yc","15","cobalt terephthalate dihydrate","","","- C8 H8 Co O6 -","- C8 H8 Co O6 -","- C32 H32 Co4 O24 -","4","0.5","","Biehler, Erik; Pagola, Silvina; Stam, Daniel; Merkelbach, Johannes; Jandl, Christian; Abdel-Fattah, Tarek M","A comparison of microcrystal electron diffraction and X-ray powder diffraction for the structural analysis of metal-organic frameworks.","Journal of applied crystallography","2025","58","Pt 2","398","411","10.1107/S1600576724012068","","","0.02851","electron","","0.2313","0.2044","","","0.4977","0.5242","","","","","","0.869","","","","has coordinates,has disorder","299192","2025-04-05","11:45:26",""
"2300756","18.71","0.08","6.57","0.03","7.37","0.03","90","","99.27","0.013","90","","894","7","293","","293","","","","","","","","synthesized from aqueous solution","4","C 1 2/c 1","-C 2yc","15","manganese terephthalate dihydrate","","","- C8 H8 Mn O6 -","- C8 H8 Mn O6 -","- C32 H32 Mn4 O24 -","4","0.5","","Biehler, Erik; Pagola, Silvina; Stam, Daniel; Merkelbach, Johannes; Jandl, Christian; Abdel-Fattah, Tarek M","A comparison of microcrystal electron diffraction and X-ray powder diffraction for the structural analysis of metal-organic frameworks.","Journal of applied crystallography","2025","58","Pt 2","398","411","10.1107/S1600576724012068","","","0.02851","electron","","0.197","0.1817","","","0.4498","0.4608","","","","","","1.054","","","","has coordinates","299192","2025-04-05","11:45:26",""
"2300757","9.9613","0.0001","11.6741","0.0002","11.9272","0.0002","102.495","0.001","107.125","0.001","96.849","0.001","1268.99","0.03","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- C52 H48 F12 Hg P6 -","- C52 H48 F12 Hg P6 -","- C52 H48 F12 Hg P6 -","1","1","","Kleemiss, Florian; Meurer, Florian; Shenderovich, Ilya G.; Bodensteiner, Michael","The use of effective core potentials in Hirshfeld atom refinement: making quantum crystallography faster in NoSpherA2","Journal of Applied Crystallography","2025","58","2","","","10.1107/S1600576725000901","","x-ray","0.71073","MoKα","","0.0409","0.0312","","","0.0529","0.0558","","","","","","1.0033","","","","has coordinates","298345","2025-03-08","03:09:50",""
"2300758","9.23767","0.00005","10.52981","0.00005","10.54412","0.00007","102.093","0.0005","112.84","0.0006","90.4679","0.0004","919.677","0.01","100","0.15","100","0.15","","","","","","","","6","P 1","P 1","1","","","","- C36 H31 Au I4 O2 P2 -","- C36 H31 Au I4 O2 P2 -","- C36 H31 Au I4 O2 P2 -","1","1","","Kleemiss, Florian; Meurer, Florian; Shenderovich, Ilya G.; Bodensteiner, Michael","The use of effective core potentials in Hirshfeld atom refinement: making quantum crystallography faster in NoSpherA2","Journal of Applied Crystallography","2025","58","2","","","10.1107/S1600576725000901","","x-ray","0.71073","MoKα","","0.0462","0.0335","","","0.0884","0.0944","","","","","","0.982","","","","has coordinates","298345","2025-03-08","03:09:53",""
"2300759","18.0174","0.0001","20.9221","0.0002","26.0847","0.0002","90","","90","","90","","9832.94","0.13","100","0.1","100","0.1","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C18 H10 O3 -","- C18 H10 O3 -","- C576 H320 O96 -","32","2","PL5048","Meurer, Florian; Schimpf, Maximilian; Hischa, Birgit; Hennig, Christoph; Rehbein, Julia; Kleemiss, Florian; Bodensteiner, Michael","Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival","Journal of Applied Crystallography","2025","58","3","678","687","10.1107/S160057672500175X","","x-ray","1.54184","CuKα","","0.0163","0.0161","","","0.0366","0.0366","","","","","","1.055","","","","has coordinates","299944","2025-06-03","19:33:42",""
"2300760","14.4765","0.0002","9.1539","0.0001","23.3338","0.0004","90","","90","","90","","3092.11","0.08","99.97","0.11","99.97","0.11","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 O3 S -","- C20 H14 O3 S -","- C160 H112 O24 S8 -","8","1","","Meurer, Florian; Schimpf, Maximilian; Hischa, Birgit; Hennig, Christoph; Rehbein, Julia; Kleemiss, Florian; Bodensteiner, Michael","Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival","Journal of Applied Crystallography","2025","58","3","678","687","10.1107/S160057672500175X","","x-ray","1.39222","CuKβ","","0.0409","0.0389","","","0.0986","0.1","","","","","","1.0682","","","","has coordinates","299944","2025-06-03","19:33:43",""
"2300761","14.54072","0.00007","9.17361","0.00002","23.4031","0.00007","90","","90","","90","","3121.76","0.019","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 O3 S -","- C20 H14 O3 S -","- C160 H112 O24 S8 -","8","1","","Meurer, Florian; Schimpf, Maximilian; Hischa, Birgit; Hennig, Christoph; Rehbein, Julia; Kleemiss, Florian; Bodensteiner, Michael","Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival","Journal of Applied Crystallography","2025","58","3","678","687","10.1107/S160057672500175X","","x-ray","0.56356","synchrotron","","0.0139","0.01","","","0.0176","0.0182","","","","","","1.0655","","","","has coordinates","299944","2025-06-03","19:33:43",""
"2300762","14.49062","0.00007","9.15691","0.00004","23.329","0.00011","90","","90","","90","","3095.51","0.02","100","0.18","100","0.18","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 O3 S -","- C20 H14 O3 S -","- C160 H112 O24 S8 -","8","1","","Meurer, Florian; Schimpf, Maximilian; Hischa, Birgit; Hennig, Christoph; Rehbein, Julia; Kleemiss, Florian; Bodensteiner, Michael","Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival","Journal of Applied Crystallography","2025","58","3","678","687","10.1107/S160057672500175X","","x-ray","0.71073","MoKα","","0.0162","0.0112","","","0.0139","0.0142","","","","","","1.2594","","","","has coordinates","299944","2025-06-03","19:33:43",""
"2300763","14.47962","0.00007","9.15557","0.00004","23.33502","0.00011","90","","90","","90","","3093.5","0.02","100.1","0.3","100.1","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 O3 S -","- C20 H14 O3 S -","- C160 H112 O24 S8 -","8","1","","Meurer, Florian; Schimpf, Maximilian; Hischa, Birgit; Hennig, Christoph; Rehbein, Julia; Kleemiss, Florian; Bodensteiner, Michael","Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival","Journal of Applied Crystallography","2025","58","3","678","687","10.1107/S160057672500175X","","x-ray","1.54184","CuKα","","0.0089","0.0086","","","0.0193","0.0194","","","","","","1.0969","","","","has coordinates","299944","2025-06-03","19:33:43",""
"2300764","14.47953","0.00006","9.15279","0.00005","23.32492","0.00009","90","","90","","90","","3091.21","0.02","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 O3 S -","- C20 H14 O3 S -","- C160 H112 O24 S8 -","8","1","","Meurer, Florian; Schimpf, Maximilian; Hischa, Birgit; Hennig, Christoph; Rehbein, Julia; Kleemiss, Florian; Bodensteiner, Michael","Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival","Journal of Applied Crystallography","2025","58","3","678","687","10.1107/S160057672500175X","","x-ray","0.6198","synchrotron","","0.0112","0.011","","","0.0298","0.0299","","","","","","1.1429","","","","has coordinates","299944","2025-06-03","19:33:43",""
"2300765","14.49062","0.00007","9.15691","0.00004","23.329","0.00011","90","","90","","90","","3095.51","0.02","100","0.18","100","0.18","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 O3 S -","- C20 H14 O3 S -","- C160 H112 O24 S8 -","8","1","","Meurer, Florian; Schimpf, Maximilian; Hischa, Birgit; Hennig, Christoph; Rehbein, Julia; Kleemiss, Florian; Bodensteiner, Michael","Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival","Journal of Applied Crystallography","2025","58","3","678","687","10.1107/S160057672500175X","","x-ray","0.71073","MoKα","","0.0161","0.0111","","","0.0159","0.0164","","","","","","1.1526","","","","has coordinates","299944","2025-06-03","19:33:43",""
"2300766","4.2249","0.001","4.2249","0.001","6.9526","0.0018","90","","90","","90","","124.1","0.05","100","","100","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- F2 Xe -","- F2 Xe -","- F4 Xe2 -","2","0.0625","","Gurung, Kshitij; Uran, Erik; Motaln, Klemen; Brázda, Petr; Radan, Kristian; Lozinšek, Matic; Palatinus, Lukáš","A simple cryotransfer method for 3D electron diffraction measurements of highly sensitive samples","Journal of Applied Crystallography","2025","58","3","1079","1084","10.1107/S1600576725002456","","electron","0.0251","electrons200keV","","0.123","0.123","","","0.1585","0.1585","","","","3.435","3.435","3.435","","","","has coordinates","299945","2025-06-03","19:34:06",""
"2300767","5.0148","0.0008","5.7392","0.0015","5.9043","0.0014","90","","100.866","0.015","90","","166.88","0.07","100","","100","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- F4 Xe -","- F4 Xe -","- F8 Xe2 -","2","0.5","","Gurung, Kshitij; Uran, Erik; Motaln, Klemen; Brázda, Petr; Radan, Kristian; Lozinšek, Matic; Palatinus, Lukáš","A simple cryotransfer method for 3D electron diffraction measurements of highly sensitive samples","Journal of Applied Crystallography","2025","58","3","1079","1084","10.1107/S1600576725002456","","electron","0.0251","electrons200keV","","0.1341","0.1073","","","0.1196","0.1221","","","","0","0","2.5236","","","","has coordinates","299945","2025-06-03","19:34:14",""
"2300768","6.5273","0.0008","7.2727","0.0006","6.3644","0.001","90","","92.951","0.011","90","","301.72","0.07","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- F6 Xe2 -","- F6 Xe2 -","- F12 Xe4 -","2","0.5","","Gurung, Kshitij; Uran, Erik; Motaln, Klemen; Brázda, Petr; Radan, Kristian; Lozinšek, Matic; Palatinus, Lukáš","A simple cryotransfer method for 3D electron diffraction measurements of highly sensitive samples","Journal of Applied Crystallography","2025","58","3","1079","1084","10.1107/S1600576725002456","","electron","0.0251","electrons200keV","","0.1943","0.0802","","","0.0723","0.0846","","","","2.23","2.23","1.4","","","","has coordinates","299945","2025-06-03","19:34:16",""
"2312720","10.6953","0.0002","12.8703","0.0003","15.4917","0.0003","95.157","0.0017","107.466","0.002","97.8737","0.0018","1995.51","0.08","99.9","0.4","99.9","0.4","","","","","","","","4","P -1","-P 1","2","","4-(4-Phenylpiperazin-1-yl)-<i>N</i>'-(pyrrolidine-1-carbonothioyl)picolinohydrazonamide","","- C21 H27 N7 S -","- C21 H27 N7 S -","- C84 H108 N28 S4 -","4","2","WV3017","Sukiennik, Jarosław; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Suśniak, Katarzyna; Fruziński, Andrzej; Szczesio, Małgorzata","Synthesis, structure and biological activity of new picolinohydrazonamide derivatives.","Acta crystallographica. Section C, Structural chemistry","2025","81","1","","","10.1107/S2053229624011549","","x-ray","1.54184","CuKα","","0.0362","0.0336","","","0.0899","0.0916","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","296733","2024-12-07","02:41:09",""
"2312721","16.45775","0.00012","11.96434","0.00009","23.87725","0.00016","90","","90","","90","","4701.58","0.06","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>N</i>'-(Morpholine-4-carbonothioyl)-4-(4-phenylpiperazin-1-yl)picolinohydrazonamide 2-methyltetrahydrofuran hemisolvate","","- C47 H64 N14 O3 S2 -","- C47 H64 N14 O3 S2 -","- C188 H256 N56 O12 S8 -","4","1","WV3017","Sukiennik, Jarosław; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Suśniak, Katarzyna; Fruziński, Andrzej; Szczesio, Małgorzata","Synthesis, structure and biological activity of new picolinohydrazonamide derivatives.","Acta crystallographica. Section C, Structural chemistry","2025","81","1","","","10.1107/S2053229624011549","","x-ray","1.54184","CuKα","","0.0388","0.037","","","0.0949","0.0963","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","296733","2024-12-07","02:41:10",""
"2312722","13.1063","0.0003","12.8414","0.0002","15.6327","0.0003","90","","98.255","0.002","90","","2603.77","0.09","99.9","0.4","99.9","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Phenylpiperazin-1-yl)-<i>N</i>'-(piperidine-1-carbonothioyl)picolinohydrazonamide–dimethylformamide–water (1/1/0.285)","","- C25 H36.57 N8 O1.29 S -","- C25 H36.57 N8 O1.285 S -","- C100 H146.28 N32 O5.14 S4 -","4","1","WV3017","Sukiennik, Jarosław; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Suśniak, Katarzyna; Fruziński, Andrzej; Szczesio, Małgorzata","Synthesis, structure and biological activity of new picolinohydrazonamide derivatives.","Acta crystallographica. Section C, Structural chemistry","2025","81","1","","","10.1107/S2053229624011549","","x-ray","1.54184","CuKα","","0.0417","0.035","","","0.0928","0.0964","","","","","","1.05","","","","has coordinates,has Fobs","296733","2024-12-07","02:41:10",""
"2312723","18.634","0.008","18.788","0.004","6.8361","0.0015","90","","90","","90","","2393.3","1.3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","natrolite","","","- Al8 H16 Na8 O48 Si12 -","- Al8 H16 Na8 O48 Si12 -","- Al16 H32 Na16 O96 Si24 -","2","0.125","YP3238","Vypritskaia, Angelina; Zou, Xiaodong; Yang, Taimin; Waterman, David Geoffrey","How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectors.","Acta crystallographica. Section C, Structural chemistry","2025","81","1","","","10.1107/S2053229624011148","","","0.0251","electrons","","0.1586","0.1387","","","0.3572","0.3791","","","","","","1.17","","","","has coordinates","296734","2024-12-07","02:41:46",""
"2312724","6.7936","0.0003","8.8294","0.0004","15.1621","0.001","90","","90","","90","","909.47","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Histidine monochloride monohydrate","","","- C6 H12 Cl N3 O3 -","- C6 H12 Cl N3 O3 -","- C24 H48 Cl4 N12 O12 -","4","1","YP3238","Vypritskaia, Angelina; Zou, Xiaodong; Yang, Taimin; Waterman, David Geoffrey","How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectors.","Acta crystallographica. Section C, Structural chemistry","2025","81","1","","","10.1107/S2053229624011148","","","0.0251","electrons","","0.1484","0.1231","","","0.3116","0.3221","","","","","","1.121","","","","has coordinates","296734","2024-12-07","02:41:47",""
"2312725","7.5893","0.0004","19.7154","0.0006","11.2305","0.0004","90","","90","","90","","1680.38","0.12","293","2","293","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","YP3238","Vypritskaia, Angelina; Zou, Xiaodong; Yang, Taimin; Waterman, David Geoffrey","How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectors.","Acta crystallographica. Section C, Structural chemistry","2025","81","1","","","10.1107/S2053229624011148","","","0.02851","electrons","","0.1685","0.1087","","","0.2511","0.2796","","","","","","0.889","","","","has coordinates","296734","2024-12-07","02:41:47",""
"2312730","3.8409","0.0005","15.593","0.002","7.6149","0.001","90","","99.91","0.012","90","","449.26","0.1","111","2","111","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Methyl prop-2-ynoate","","- C4 H4 O2 -","- C4 H4 O2 -","- C16 H16 O8 -","4","1","OJ3025","Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J.","The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species.","Acta crystallographica. Section C, Structural chemistry","2025","81","1","","","10.1107/S2053229624011653","","","0.71073","MoKα","","0.0431","0.0358","","","0.092","0.0986","","","","","","1.053","","","","has coordinates","296811","2024-12-10","02:51:26",""
"2312731","6.9609","0.0005","8.9319","0.0007","13.7189","0.0009","90","","91.664","0.007","90","","852.6","0.11","111","2","111","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1-Methoxyprop-2-yn-1-ylidene)oxidanium hexafluoroarsenate","","- C4 H5 As F6 O2 -","- C4 H5 As F6 O2 -","- C16 H20 As4 F24 O8 -","4","1","OJ3025","Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J.","The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species.","Acta crystallographica. Section C, Structural chemistry","2025","81","1","","","10.1107/S2053229624011653","","","0.71073","MoKα","","0.0501","0.0388","","","0.0895","0.0986","","","","","","1.051","","","","has coordinates","296811","2024-12-10","02:51:29",""
"2312732","3.8726","0.0011","5.6546","0.001","8.3778","0.0018","100.642","0.016","100.42","0.02","105.73","0.02","168.3","0.07","112","2","112","2","","","","","","","","3","P -1","-P 1","2","","Dimethyl (<i>E</i>)-but-2-enedioate","","- C6 H8 O4 -","- C6 H8 O4 -","- C6 H8 O4 -","1","0.5","OJ3025","Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J.","The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species.","Acta crystallographica. Section C, Structural chemistry","2025","81","1","","","10.1107/S2053229624011653","","","0.71073","MoKα","","0.054","0.0475","","","0.1338","0.1441","","","","","","1.04","","","","has coordinates","296811","2024-12-10","02:51:29",""
"2312733","12.8759","0.0005","11.8899","0.0004","14.6252","0.0007","90","","90","","90","","2239.02","0.16","101","2","101","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-Dimethoxy-4-oxobut-2-en-1-ylidene]oxidanium tetrafluoroborate–hydrogen fluoride (1/2)","","- C6 H11 B F6 O4 -","- C6 H11 B F6 O4 -","- C48 H88 B8 F48 O32 -","8","1","OJ3025","Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J.","The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species.","Acta crystallographica. Section C, Structural chemistry","2025","81","1","","","10.1107/S2053229624011653","","","0.71073","MoKα","","0.0473","0.0396","","","0.095","0.0999","","","","","","1.047","","","","has coordinates","296811","2024-12-10","02:51:30",""
"2312734","7.8461","0.0006","15.1531","0.0011","19.5536","0.0017","90","","90","","90","","2324.8","0.3","101","2","101","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Hemi{[1,4-dimethoxy-4-oxidaniumylidenebut-2-en-1-ylidene]oxidanium} undecafluorodiarsenate","","- C3 H5 F11 O2 Sb2 -","- C3 H5 F11 O2 Sb2 -","- C24 H40 F88 O16 Sb16 -","8","1","OJ3025","Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J.","The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species.","Acta crystallographica. Section C, Structural chemistry","2025","81","1","","","10.1107/S2053229624011653","","","0.71073","MoKα","","0.0568","0.0362","","","0.0633","0.0706","","","","","","1.04","","","","has coordinates","296811","2024-12-10","02:51:31",""
"2312735","10.67269","0.00015","15.8882","0.0002","16.099","0.0002","90","","104.633","0.0015","90","","2641.36","0.06","300.2","0.7","300.2","0.7","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,4-Difluoroanilinium–di(methanesulfonyl)amidate–18-crown-6 (1/1)","3,4-Difluoroanilinium di(methanesulfonyl)amidate–1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C20 H36 F2 N2 O10 S2 -","- C20 H36 F2 N2 O10 S2 -","- C80 H144 F8 N8 O40 S8 -","4","1","DG3066","Zhang, Yao; Wang, Yan Juan; Tang, Yuan Yuan; Chen, Xiao Gang","Crown ether inclusion compound 3,4-difluoroanilinium di(methanesulfonyl)amidate-18-crown-6 (1/1) clathrate.","Acta crystallographica. Section C, Structural chemistry","2025","81","1","","","10.1107/S2053229624011872","","x-ray","1.54184","CuKα","","0.0541","0.0439","","","0.1177","0.1242","","","","","","1.045","","","","has coordinates,has Fobs","296910","2024-12-18","03:01:33",""
"2312736","10.57046","0.00014","15.7746","0.0002","15.8622","0.0002","90","","104.483","0.0014","90","","2560.89","0.06","100","0.3","100","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,4-Difluoroanilinium–di(methanesulfonyl)amidate–18-crown-6 (1/1)","3,4-Difluoroanilinium di(methanesulfonyl)amidate–1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C20 H36 F2 N2 O10 S2 -","- C20 H36 F2 N2 O10 S2 -","- C80 H144 F8 N8 O40 S8 -","4","1","DG3066","Zhang, Yao; Wang, Yan Juan; Tang, Yuan Yuan; Chen, Xiao Gang","Crown ether inclusion compound 3,4-difluoroanilinium di(methanesulfonyl)amidate-18-crown-6 (1/1) clathrate.","Acta crystallographica. Section C, Structural chemistry","2025","81","1","","","10.1107/S2053229624011872","","x-ray","1.54184","CuKα","","0.0399","0.0324","","","0.0811","0.0846","","","","","","1.046","","","","has coordinates,has Fobs","296910","2024-12-18","03:01:44",""
"2312737","12.9901","0.0002","16.2647","0.0003","5.2158","0.0001","90","","90","","90","","1101.99","0.03","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- Ca0.31 Mn0.14 Na5 O12 P3 Zn1.55 -","- Ca0.31 Mn0.14 Na5.005 O12 P3 Zn1.545 -","- Ca1.24 Mn0.56 Na20.02 O48 P12 Zn6.18 -","4","1","","Yakubovich, Olga V.; Kiriukhina, Galina V.; Volkov, Anatoly S.; Dimitrova, Olga V.","A rare case of Na/Zn isomorphism in the crystal structure of acentric zincophosphate Na<sub>5</sub>Zn[Zn(PO<sub>4</sub>)<sub>3</sub>].","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","1","","","10.1107/S2052520624011156","","","0.71073","MoKα","","0.0319","0.0303","","","0.0663","0.0668","","","","","","1.228","","","","has coordinates,has Fobs","296933","2024-12-20","02:34:15",""
"2312738","5.5736","0.0002","9.2154","0.0004","12.7952","0.0007","90","","90","","90","","657.2","0.05","102","2","102","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-Difluoro-1,3-dioxopropan-2-aminium dihydrogen trifluoride","","- C3 H6 F5 N O2 -","- C3 H6 F5 N O2 -","- C12 H24 F20 N4 O8 -","4","1","OJ3024","Hollenwäger, Dirk; Leitz, Dominik; Bockmair, Valentin; Kornath, Andreas J.","Monoprotonated species of 2-aminomalonyl difluoride, [C<sub>3</sub>H<sub>4</sub>F<sub>2</sub>NO<sub>2</sub>][H<sub>2</sub>F<sub>3</sub>].","Acta crystallographica. Section C, Structural chemistry","2025","81","2","","","10.1107/S2053229624012452","","","0.71073","MoKα","","0.0415","0.0338","","","0.0633","0.0668","","","","","","1.019","","","","has coordinates","297283","2025-01-11","02:21:55",""
"2312739","12.6983","0.0006","21.8868","0.0011","22.6831","0.0012","90","","90","","90","","6304.2","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3,3'-Bis(ferrocenylcarbonyl)-1,1'-(benzene-1,2-diyl)bis(thiourea) acetone monosolvate","","- C33 H32 Fe2 N4 O3 S2 -","- C33 H32 Fe2 N4 O3 S2 -","- C264 H256 Fe16 N32 O24 S16 -","8","1","QF3066","Duan, Xin E.; Jiang, Ze Jin; Tong, Hong Bo; Bai, Sheng Di","Synthesis and diverse crystal packing in o-, m- and p-bis(carbonylthioureido)benzenes containing bisferrocenes.","Acta crystallographica. Section C, Structural chemistry","2025","81","2","","","10.1107/S2053229625000282","","x-ray","0.71073","MoKα","","0.0434","0.0334","","","0.0823","0.0902","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","297452","2025-01-24","03:05:34",""
"2312740","8.424","0.003","31.266","0.017","10.566","0.005","90","","94.2","0.04","90","","2775","2","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3,3'-Bis(ferrocenylcarbonyl)-1,1'-(benzene-1,3-diyl)bis(thiourea)","","- C30 H26 Fe2 N4 O2 S2 -","- C30 H26 Fe2 N4 O2 S2 -","- C120 H104 Fe8 N16 O8 S8 -","4","1","QF3066","Duan, Xin E.; Jiang, Ze Jin; Tong, Hong Bo; Bai, Sheng Di","Synthesis and diverse crystal packing in o-, m- and p-bis(carbonylthioureido)benzenes containing bisferrocenes.","Acta crystallographica. Section C, Structural chemistry","2025","81","2","","","10.1107/S2053229625000282","","x-ray","0.71073","MoKα","","0.1149","0.0981","","","0.1778","0.1832","","","","","","1.388","","","","has coordinates,has Fobs","297452","2025-01-24","03:05:36",""
"2312741","10.0024","0.0011","11.7058","0.0013","12.3942","0.0014","87.781","0.002","69.633","0.002","82.005","0.002","1347.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3,3'-Bis(ferrocenylcarbonyl)-1,1'-(benzene-1,4-diyl)bis(thiourea)","","- C30 H26 Fe2 N4 O2 S2 -","- C30 H26 Fe2 N4 O2 S2 -","- C60 H52 Fe4 N8 O4 S4 -","2","1","QF3066","Duan, Xin E.; Jiang, Ze Jin; Tong, Hong Bo; Bai, Sheng Di","Synthesis and diverse crystal packing in o-, m- and p-bis(carbonylthioureido)benzenes containing bisferrocenes.","Acta crystallographica. Section C, Structural chemistry","2025","81","2","","","10.1107/S2053229625000282","","x-ray","0.71073","MoKα","","0.044","0.0366","","","0.0929","0.0969","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","297452","2025-01-24","03:05:37",""
"2312742","5.62","0.003","8.62","0.003","16.07","0.005","91.113","0.009","91.423","0.009","96.92","0.02","772.4","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","2-[(Naphthalen-2-ylmethyl)azaniumyl]-3-phenylpropanoate","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C40 H38 N2 O4 -","2","1","ZO3057","Movilla, Federico; Rey, Juan Manuel; López Borda, María Del Rosario; Di Salvo, Florencia","Conformational versatility among crystalline solids of L-phenylalanine derivatives.","Acta crystallographica. Section C, Structural chemistry","2025","81","2","","","10.1107/S2053229625000269","","","0.67019","synchrotron","","0.0478","0.0417","","","0.1187","0.1243","","","","","","1.069","","","","has coordinates,has Fobs","297468","2025-01-25","03:16:08",""
"2312743","5.058","0.005","14.786","0.005","26.482","0.014","90","","90","","90","","1981","2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1-Carboxy-2-phenylethyl)(naphthalen-2-ylmethyl)azanium chloride acetic acid monosolvate","","- C22 H24 Cl N O4 -","- C22 H24 Cl N O4 -","- C88 H96 Cl4 N4 O16 -","4","1","ZO3057","Movilla, Federico; Rey, Juan Manuel; López Borda, María Del Rosario; Di Salvo, Florencia","Conformational versatility among crystalline solids of L-phenylalanine derivatives.","Acta crystallographica. Section C, Structural chemistry","2025","81","2","","","10.1107/S2053229625000269","","","0.79986","synchrotron","","0.0788","0.064","","","0.1689","0.1819","","","","","","1.085","","","","has coordinates,has Fobs","297468","2025-01-25","03:16:10",""
"2312744","6.636","0.0006","6.947","0.0004","22.583","0.003","90","","97.955","0.012","90","","1031.06","0.18","100","1","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[diaquasodium(I)-di-μ-aqua] 2-[(naphthalen-2-ylmethyl)amino]-3-phenylpropanoate monohydrate]","","- C20 H28 N Na O7 -","- C20 H28 N Na O7 -","- C40 H56 N2 Na2 O14 -","2","1","ZO3057","Movilla, Federico; Rey, Juan Manuel; López Borda, María Del Rosario; Di Salvo, Florencia","Conformational versatility among crystalline solids of L-phenylalanine derivatives.","Acta crystallographica. Section C, Structural chemistry","2025","81","2","","","10.1107/S2053229625000269","","","0.67019","synchrotron","","0.0399","0.0368","","","0.0936","0.095","","","","","","1.02","","","","has coordinates,has Fobs","297468","2025-01-25","03:16:10",""
"2312745","11.56","0.011","7.91","0.0012","36.46","0.014","90","","95.156","0.014","90","","3320","3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aquabis{2-[(naphthalen-2-ylmethyl)amino]-3-phenylpropanoato-κ<i>O</i>}zinc(II)","","- C40 H38 N2 O5 Zn -","- C40 H38 N2 O5 Zn -","- C160 H152 N8 O20 Zn4 -","4","1","ZO3057","Movilla, Federico; Rey, Juan Manuel; López Borda, María Del Rosario; Di Salvo, Florencia","Conformational versatility among crystalline solids of L-phenylalanine derivatives.","Acta crystallographica. Section C, Structural chemistry","2025","81","2","","","10.1107/S2053229625000269","","","0.67019","synchrotron","","0.0336","0.0327","","","0.0853","0.0858","","","","","","1.072","","","","has coordinates,has Fobs","297468","2025-01-25","03:16:14",""
"2312746","10.6376","0.0009","9.9099","0.0007","13.0019","0.0009","90","","101.806","0.008","90","","1341.63","0.18","112","2","112","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Benzoacylium undecafluorodiarsenate","","- C7 H5 As2 F11 O -","- C7 H5 As2 F11 O -","- C28 H20 As8 F44 O4 -","4","1","OV3178","Bockmair, Valentin; Regnat, Martin; Tran, Huu Khanh Trinh; Kornath, Andreas J.","Structural investigations of the benzoyl fluoride and the benzoacyl cation of low-melting compounds and reactive intermediates.","Acta crystallographica. Section C, Structural chemistry","2025","81","2","","","10.1107/S2053229625000476","","","0.71073","MoKα","","0.0496","0.0359","","","0.0867","0.0949","","","","","","1.055","","","","has coordinates","297469","2025-01-25","03:16:42",""
"2312747","12.592","0.003","7.2274","0.0017","13.473","0.003","90","","104.77","0.02","90","","1185.6","0.5","114","2","114","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzoyl fluoride","","- C7 H5 F O -","- C7 H5 F O -","- C56 H40 F8 O8 -","8","2","OV3178","Bockmair, Valentin; Regnat, Martin; Tran, Huu Khanh Trinh; Kornath, Andreas J.","Structural investigations of the benzoyl fluoride and the benzoacyl cation of low-melting compounds and reactive intermediates.","Acta crystallographica. Section C, Structural chemistry","2025","81","2","","","10.1107/S2053229625000476","","","0.71073","MoKα","","0.1146","0.0795","","","0.2059","0.249","","","","","","1.038","","","","has coordinates,has disorder","297469","2025-01-25","03:16:45",""
"2312748","10.4947","","12.7876","","24.9428","","90","","90","","90","","3347.37","","293","","293","","","","","","","","","1","F d d d :1","F 2 2 -1d","70","","Cyclooctasulfur","","- S8 -","- S8 -","- S128 -","16","0.5","UW3001","Rahimisheikh, Sepideh; Hajizadeh, Amirhossein; Quintelier, Matthias; Stulens, Sander; Hardy, An; Hadermann, Joke","Crystal structure of submicron-sized sulfur particles using 3D ED obtained in atmospheric conditions.","Acta crystallographica. Section C, Structural chemistry","2025","81","2","","","10.1107/S2053229625000130","","electron","0.0256","electron","","0.1291","0.1133","","","0.1264","0.1279","","","","5.65","5.65","5.22","","","","has coordinates","297498","2025-01-28","03:05:17",""
"2312749","18.1735","0.0004","8.77666","0.00018","5.19316","0.0001","90","","90","","90","","828.32","0.03","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Fe0.13 Li0.13 Mg0.73 O3 Si -","- Fe0.1349 Li0.1349 Mg0.7302 O3 Si -","- Fe2.1584 Li2.1584 Mg11.6832 O48 Si16 -","16","2","RA5147","Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando","Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","1","","","10.1107/S2052520624011624","","","0.71073","MoKα","","0.0324","0.028","","","0.0491","0.05","","","","","","1.274","","","","has coordinates","297534","2025-01-30","03:00:29",""
"2312750","18.1654","0.0004","8.773","0.0002","5.1958","0.0001","90","","90","","90","","828.03","0.03","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Fe0.14 Li0.14 Mg0.71 O3 Si -","- Fe0.14495 Li0.14495 Mg0.7101 O3 Si -","- Fe2.3192 Li2.3192 Mg11.3616 O48 Si16 -","16","2","","Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando","Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","1","","","10.1107/S2052520624011624","","","0.71073","MoKα","","0.0296","0.0207","","","0.0398","0.042","","","","","","1.015","","","","has coordinates","297534","2025-01-30","03:00:30",""
"2312751","18.1718","0.0004","8.7706","0.0002","5.1992","0.0001","90","","90","","90","","828.64","0.03","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Fe0.16 Li0.16 Mg0.69 O3 Si -","- Fe0.15675 Li0.15675 Mg0.6865 O3 Si -","- Fe2.508 Li2.508 Mg10.984 O48 Si16 -","16","2","","Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando","Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","1","","","10.1107/S2052520624011624","","","0.71073","MoKα","","0.0212","0.0188","","","0.0399","0.0406","","","","","","1.168","","","","has coordinates","297534","2025-01-30","03:00:30",""
"2312752","9.2232","0.0002","8.704","0.0002","5.3107","0.0001","90","","90","","90","","426.336","0.016","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Fe0.08 Li0.08 Mg0.84 O3 Si -","- Fe0.08195 Li0.08195 Mg0.8361 O3 Si -","- Fe0.6556 Li0.6556 Mg6.6888 O24 Si8 -","8","1","","Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando","Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","1","","","10.1107/S2052520624011624","","","0.71073","MoKα","","0.0155","0.0141","","","0.0348","0.0354","","","","","","1.14","","","","has coordinates","297534","2025-01-30","03:00:30",""
"2312753","9.2255","0.0002","8.7052","0.0002","5.3106","0.0001","90","","90","","90","","426.493","0.016","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Fe0.08 Li0.08 Mg0.84 O3 Si -","- Fe0.07805 Li0.07805 Mg0.8439 O3 Si -","- Fe0.6244 Li0.6244 Mg6.7512 O24 Si8 -","8","1","","Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando","Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","1","","","10.1107/S2052520624011624","","","0.71073","MoKα","","0.0232","0.0181","","","0.0385","0.0399","","","","","","1.077","","","","has coordinates","297534","2025-01-30","03:00:30",""
"2312754","12.567","0.002","23.718","0.004","15.746","0.003","90","","111.012","0.004","90","","4381.2","1.3","150","2","150","2","","","","","","","synthesised by authors, see text","6","P 1 21/c 1","-P 2ybc","14","","[Dihydridobis(pyrazol-1-yl)borato-κ^2^<i>N</i>,<i>N</i>']tris(tetrahydrofuran-κ<i>O</i>)magnesium(II) tetrabenzylborate","","- C46 H60 B2 Mg N4 O3 -","- C46 H60 B2 Mg N4 O3 -","- C184 H240 B8 Mg4 N16 O12 -","4","1","UX3011","Loroño-González, Marcos A; Loroño-González, Daniel J","Magnesium and potassium scorpionate complexes based on dihydrobis(pyrazolyl)borate.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 3","131","139","10.1107/S2053229625000750","","","0.71073","MoKα","","0.1524","0.0949","","","0.1827","0.2049","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","299168","2025-04-05","11:33:05",""
"2312755","10.0571","0.0011","9.6814","0.0011","11.689","0.005","90","","103.002","0.002","90","","1108.9","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","Potassium dihydrobis(pyrazol-1-yl)borate","Poly[[μ~4~-dihydrobis(pyrazol-1-yl)borato-κ^2^<i>N</i>,<i>N</i>']potassium(I)]","","- C28 H28 B K -","- C28 H28 B K -","- C56 H56 B2 K2 -","2","1","UX3011","Loroño-González, Marcos A; Loroño-González, Daniel J","Magnesium and potassium scorpionate complexes based on dihydrobis(pyrazolyl)borate.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 3","131","139","10.1107/S2053229625000750","","","0.71073","MoKα","","0.0465","0.0423","","","0.0859","0.0893","","","","","","1.074","","","","has coordinates,has Fobs","299168","2025-04-05","11:33:05",""
"2312757","5.7363","0.0006","13.8532","0.0012","9.933","0.001","90","","90","","90","","789.34","0.13","288","2","288","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Dirubidium dicalcium pyrosilicate","","- Ca2 O7 Rb2 Si2 -","- Ca2 O7 Rb2 Si2 -","- Ca8 O28 Rb8 Si8 -","4","0.5","EF3065","Kahlenberg, Volker","Rb<sub>2</sub>Ca<sub>2</sub>Si<sub>2</sub>O<sub>7</sub>: a new alkali alkaline-earth silicate based on [Si<sub>2</sub>O<sub>7</sub>]<sup>6-</sup> anions.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 3","146","155","10.1107/S2053229625001196","","x-ray","0.71073","MoKα","","0.0395","0.0299","","","0.0717","0.0761","","","","","","1.057","","","","has coordinates","299169","2025-04-05","11:33:18",""
"2312758","5.7281","0.0006","13.8361","0.0013","9.9233","0.0011","90","","90","","90","","786.47","0.14","193","2","193","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Dirubidium dicalcium pyrosilicate","","- Ca2 O7 Rb2 Si2 -","- Ca2 O7 Rb2 Si2 -","- Ca8 O28 Rb8 Si8 -","4","0.5","EF3065","Kahlenberg, Volker","Rb<sub>2</sub>Ca<sub>2</sub>Si<sub>2</sub>O<sub>7</sub>: a new alkali alkaline-earth silicate based on [Si<sub>2</sub>O<sub>7</sub>]<sup>6-</sup> anions.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 3","146","155","10.1107/S2053229625001196","","x-ray","0.71073","MoKα","","0.0391","0.029","","","0.0621","0.0668","","","","","","1.067","","","","has coordinates","299169","2025-04-05","11:33:28",""
"2312759","4.95674","0.00006","15.97566","0.00014","8.76933","0.00007","90","","91.8347","0.0009","90","","694.063","0.012","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Butane-1,4-diyl bis(2,2,2-trifluoroethane-1-sulfonate)","","- C8 H12 F6 O6 S2 -","- C8 H12 F6 O6 S2 -","- C16 H24 F12 O12 S4 -","2","0.5","DG3069","Hoelm, Marta; Wzgarda-Raj, Kinga; Kinart, Zdzislaw; Kost, Bartlomiej; Brzezinski, Marek; Staniec, Paulina","Synthesis, crystal structure elucidation, theoretical characterization and thermochemistry analysis of the potential anticancer drug BFS.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 3","156","164","10.1107/S2053229625001299","","x-ray","1.54184","CuKα","","0.0274","0.0268","","","0.0672","0.0676","","","","","","1.088","","","","has coordinates,has Fobs","299172","2025-04-05","11:34:59",""
"2312760","7.99791","0.00011","16.29632","0.00019","10.52351","0.00013","90","","105.683","0.0013","90","","1320.53","0.03","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","Benzylammonium bis(methanesulfonyl)azanide; 1,4,7,10,13,16-hexaoxacyclooctadecane","","- C21 H40 N2 O10 S2 -","- C21 H40 N2 O10 S2 -","- C42 H80 N4 O20 S4 -","2","1","EF3063","Zhang, Yao; Wang, Yan Juan; Tang, Yuan Yuan; Chen, Xiao Gang","Two nonlinear optically responsive crown ether inclusion compounds based on a sulfonimide anion assembly.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 3","140","145","10.1107/S2053229625000294","","x-ray","1.54184","CuKα","","0.0254","0.0251","","","0.0665","0.0668","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","299173","2025-04-05","11:35:10",""
"2312761","8.23545","0.00013","16.4434","0.0002","10.5833","0.00014","90","","105.433","0.0015","90","","1381.5","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","Benzylammonium (methanesulfonyl)(trifluoromethylsulfonyl)azanide–1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C21 H37 F3 N2 O10 S2 -","- C21 H37 F3 N2 O10 S2 -","- C42 H74 F6 N4 O20 S4 -","2","1","EF3063","Zhang, Yao; Wang, Yan Juan; Tang, Yuan Yuan; Chen, Xiao Gang","Two nonlinear optically responsive crown ether inclusion compounds based on a sulfonimide anion assembly.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 3","140","145","10.1107/S2053229625000294","","x-ray","1.54184","CuKα","","0.0359","0.0356","","","0.0974","0.0977","","","","","","1.056","","","","has coordinates,has Fobs","299173","2025-04-05","11:35:10",""
"2312762","24.185","0.004","24.185","0.004","6.6341","0.001","90","","90","","120","","3360.5","0.9","150","2","150","2","","","","","","","","6","P 3","P 3","143","","Tris(2'-deoxy-6-thioguanosine)nickel(II) dinitrate dihydrate","","- C30 H43 N17 Ni O17 S3 -","- C30 H39 N17 Ni O17 S3 -","- C90 H117 N51 Ni3 O51 S9 -","3","1","ZO3062","Hribesh, Samira O.; Clegg, William; Harrington, Ross W.; Houlton, Andrew; Pike, Andrew R.","Synthesis and crystal structure of a nickel(II) 2'-deoxy-6-thioguanosine nitrate complex.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 3","165","169","10.1107/S2053229625001500","","","0.6889","synchrotron","","0.0693","0.056","","","0.1493","0.1566","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","299171","2025-04-05","11:34:48",""
"2312763","5.17","0.002","10.11","0.0019","20.71","0.003","90","","90","","90","","1082.5","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","biotin","5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)-2-Oxohexahydro-1<i>H</i>-\ thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoic acid","","- C10 H16 N2 O3 S -","- C10 H16 N2 O3 S -","- C40 H64 N8 O12 S4 -","4","1","YP3239","Vlahakis, Niko; Qu, Songrong; Richards, Logan S.; Moraes, Lygia Silva de; Cascio, Duilio; Nelson, Hosea M.; Rodriguez, Jose A.","Fast event-based electron counting for small-molecule structure determination by MicroED.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 3","116","130","10.1107/S2053229624012300","","","0.0251","electron","","0.1856","0.1586","","","0.3832","0.4094","","","","","","1.325","","","","has coordinates","299174","2025-04-05","11:35:20",""
"2312764","7.16","0.002","19.44","0.0019","29.78","0.003","90","","90","","90","","4145.1","1.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>S</i>,<i>S</i>)-Jacobsen's Ligand","(<i>S</i>,<i>S</i>)-(+)-<i>N</i>,<i>N</i>'-Bis(3,5-di-<i>tert</i>-\ butylsalicylidene)-1,2-cyclohexanediaminomanganese(III) chloride","","- C36 H54 N2 O2 -","- C36 H54 N2 O2 -","- C144 H216 N8 O8 -","4","1","YP3239","Vlahakis, Niko; Qu, Songrong; Richards, Logan S.; Moraes, Lygia Silva de; Cascio, Duilio; Nelson, Hosea M.; Rodriguez, Jose A.","Fast event-based electron counting for small-molecule structure determination by MicroED.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 3","116","130","10.1107/S2053229624012300","","","0.0251","electron","","0.1707","0.1167","","","0.318","0.3641","","","","","","1.053","","","","has coordinates","299174","2025-04-05","11:35:20",""
"2312765","7.3317","0.0003","8.9118","0.0003","11.8169","0.0004","69.929","0.001","84.854","0.001","76.227","0.001","704.33","0.04","180","","180","","","","","","","","","5","P -1","-P 1","2","","4-Methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","DK5134","Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří","Computation screening for incorrectly determined cocrystal structures.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","208","216","10.1107/S205252062500068X","","","0.71073","MoKα","","0.0302","0.0225","","","0.0617","0.0888","","","","","","0.9969","","","","has coordinates","299166","2025-04-05","11:28:09",""
"2312766","23.9983","0.0009","6.7578","0.0003","11.4431","0.0004","90","","116.034","0.0011","90","","1667.5","0.11","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(Maleic acid) 4,4'-bipyridine","","- C18 H16 N2 O8 -","- C18 H16 N2 O8 -","- C72 H64 N8 O32 -","4","0.5","DK5134","Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří","Computation screening for incorrectly determined cocrystal structures.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","208","216","10.1107/S205252062500068X","","","0.71073","MoKα","","0.0195","0.0172","","","0.0376","0.0392","","","","","","1.086","","","","has coordinates","299166","2025-04-05","11:28:09",""
"2312767","37.809","0.013","5.2412","0.0019","16.254","0.006","90","","108.433","0.018","90","","3055.7","1.9","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-bis(3-Pyridyl)urea succinic acid","","- C15 H16 N4 O5 -","- C15 H16 N4 O5 -","- C120 H128 N32 O40 -","8","1","DK5134","Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří","Computation screening for incorrectly determined cocrystal structures.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","208","216","10.1107/S205252062500068X","","","0.71073","MoKα","","0.0492","0.0449","","","0.0932","0.0984","","","","","","1.0829","","","","has coordinates","299166","2025-04-05","11:28:09",""
"2312768","6.3868","0.0002","6.9694","0.0003","15.2424","0.0006","92.0313","0.0014","93.0261","0.0013","103.601","0.0013","657.73","0.04","180","","180","","","","","","","","","5","P -1","-P 1","2","","2-Aminopyrimidine (3,4-dichlorophenoxy)acetic acid","","- C12 H11 Cl2 N3 O3 -","- C12 H11 Cl2 N3 O3 -","- C24 H22 Cl4 N6 O6 -","2","1","DK5134","Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří","Computation screening for incorrectly determined cocrystal structures.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","208","216","10.1107/S205252062500068X","","","0.71073","MoKα","","0.026","0.0226","","","0.0504","0.0534","","","","","","1.1089","","","","has coordinates","299166","2025-04-05","11:28:09",""
"2312769","6.9874","0.0002","13.8458","0.0004","21.4834","0.0006","90","","90","","90","","2078.44","0.1","180","","180","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis(Hexamethylenetetraamine) m-benzenedicarboxylic acid","","- C20 H30 N8 O4 -","- C20 H30 N8 O4 -","- C80 H120 N32 O16 -","4","1","DK5134","Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří","Computation screening for incorrectly determined cocrystal structures.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","208","216","10.1107/S205252062500068X","","","0.71073","MoKα","","0.0128","0.0123","","","0.0288","0.029","","","","","","1.1339","","","","has coordinates","299166","2025-04-05","11:28:09",""
"2312770","14.9666","0.0009","7.0415","0.0004","21.835","0.0013","90","","90","","90","","2301.1","0.2","180","","180","","","","","","","","","4","P b c n","-P 2n 2ab","60","","4,4'-Bipyridine bis(2,4-dinitrophenol)","","- C22 H16 N6 O10 -","- C22 H16 N6 O10 -","- C88 H64 N24 O40 -","4","0.5","DK5134","Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří","Computation screening for incorrectly determined cocrystal structures.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","208","216","10.1107/S205252062500068X","","","0.71073","MoKα","","0.0241","0.0224","","","0.0559","0.0574","","","","","","1.0415","","","","has coordinates","299166","2025-04-05","11:28:09",""
"2312771","7.0595","0.0007","7.2153","0.0007","13.9211","0.0013","91.067","0.004","102.473","0.004","106","0.004","663.22","0.11","180","","180","","","","","","","","","4","P -1","-P 1","2","","1,2,4,5-Benzene tetracarboxylic acid bis(1,7-phenanthroline)","","- C34 H22 N4 O8 -","- C34 H22 N4 O8 -","- C34 H22 N4 O8 -","1","0.5","DK5134","Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří","Computation screening for incorrectly determined cocrystal structures.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","208","216","10.1107/S205252062500068X","","","0.71073","MoKα","","0.0357","0.0299","","","0.0533","0.0578","","","","","","1.1101","","","","has coordinates","299166","2025-04-05","11:28:09",""
"2312772","22.9392","0.0011","4.7809","0.0002","24.1632","0.0011","90","","96.542","0.006","90","","2632.7","0.2","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Di-4-pyridylpropane–2-hydroxybenzene-1,4-dicarboxylic acid (1/2)","","- C29 H26 N2 O10 -","- C29 H26 N2 O10 -","- C116 H104 N8 O40 -","4","0.5","DK5134","Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří","Computation screening for incorrectly determined cocrystal structures.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","208","216","10.1107/S205252062500068X","","","0.71073","MoKα","","0.1035","0.047","","","0.1059","0.1292","","","","","","1.016","","","","has coordinates","299166","2025-04-05","11:28:09",""
"2312773","21.952","","7.3477","","17","","90","","104.61","","90","","2653.38","","291","2","291","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>E</i>)-4-(4-Methylstyryl)pyridine–(E)-but-2-enedioic acid (2/1)","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C128 H120 N8 O16 -","4","1","DK5134","Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří","Computation screening for incorrectly determined cocrystal structures.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","208","216","10.1107/S205252062500068X","","","0.71073","MoKα","","0.0501","0.0416","","","0.0975","0.1007","","","","","","0.9802","","","","has coordinates","299166","2025-04-05","11:28:09",""
"2312774","7.9043","0.0007","15.7768","0.0013","8.7381","0.0007","90","","108.115","0.004","90","","1035.67","0.15","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-oxo-2<i>H</i>-chromene-3-carboxylate","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","EF3062","Mama, Neliswa; Schoeman, Stiaan; Myburgh, Lisa; Hosten, Eric C.","Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 3","170","180","10.1107/S2053229625000956","","","0.71073","MoKα","","0.0627","0.0495","","","0.1284","0.1411","","","","","","1.048","","","","has coordinates","299170","2025-04-05","11:33:53",""
"2312775","11.904","0.0009","7.1792","0.0005","13.6794","0.001","90","","111.708","0.003","90","","1086.15","0.14","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-sulfanylidene-2<i>H</i>-chromene-3-carboxylate","","- C12 H10 O3 S -","- C12 H10 O3 S -","- C48 H40 O12 S4 -","4","1","EF3062","Mama, Neliswa; Schoeman, Stiaan; Myburgh, Lisa; Hosten, Eric C.","Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 3","170","180","10.1107/S2053229625000956","","","0.71073","MoKα","","0.0399","0.0346","","","0.0989","0.1045","","","","","","1.041","","","","has coordinates","299170","2025-04-05","11:33:54",""
"2312776","12.5314","0.0005","6.7175","0.0003","27.7746","0.001","90","","92.7398","0.0014","90","","2335.38","0.16","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 2-sulfanylidene-2<i>H</i>-chromene-3-carbothioate","","- C12 H10 O2 S2 -","- C12 H10 O2 S2 -","- C96 H80 O16 S16 -","8","1","EF3062","Mama, Neliswa; Schoeman, Stiaan; Myburgh, Lisa; Hosten, Eric C.","Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 3","170","180","10.1107/S2053229625000956","","","0.71073","MoKα","","0.0568","0.0401","","","0.0893","0.1004","","","","","","1.096","","","","has coordinates","299170","2025-04-05","11:34:03",""
"2312777","6.8708","0.0003","10.6766","0.0005","15.7872","0.0008","90","","100.253","0.002","90","","1139.6","0.09","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ethyl 8-methoxy-2-oxo-2<i>H</i>-1-benzopyran-3-carboxylate","","- C13 H12 O5 -","- C13 H12 O5 -","- C52 H48 O20 -","4","1","EF3062","Mama, Neliswa; Schoeman, Stiaan; Myburgh, Lisa; Hosten, Eric C.","Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 3","170","180","10.1107/S2053229625000956","","","0.71073","MoKα","","0.0403","0.0352","","","0.0944","0.0993","","","","","","1.073","","","","has coordinates","299170","2025-04-05","11:34:13",""
"2312778","6.8534","0.0004","11.2183","0.0007","15.8581","0.001","90","","98.62","0.002","90","","1205.45","0.13","199","2","199","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 8-methoxy-2-sulfanylidene-2<i>H</i>-chromene-3-carboxylate","","- C13 H12 O4 S -","- C13 H12 O4 S -","- C52 H48 O16 S4 -","4","1","EF3062","Mama, Neliswa; Schoeman, Stiaan; Myburgh, Lisa; Hosten, Eric C.","Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 3","170","180","10.1107/S2053229625000956","","","0.71073","MoKα","","0.0404","0.0349","","","0.0979","0.1038","","","","","","1.041","","","","has coordinates","299170","2025-04-05","11:34:21",""
"2312779","6.9815","0.0003","11.7185","0.0004","15.9642","0.0005","90","","90","","90","","1306.07","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 8-methoxy-2-sulfanylidene-2<i>H</i>-chromene-3-carbothioate","","- C13 H12 O3 S2 -","- C13 H12 O3 S2 -","- C52 H48 O12 S8 -","4","1","EF3062","Mama, Neliswa; Schoeman, Stiaan; Myburgh, Lisa; Hosten, Eric C.","Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 3","170","180","10.1107/S2053229625000956","","","0.71073","MoKα","","0.0741","0.0547","","","0.1176","0.1405","","","","","","1.237","","","","has coordinates","299170","2025-04-05","11:34:31",""
"2312780","4.0677","0.0002","10.9099","0.0006","12.3916","0.0005","110.804","0.001","92.66","0.002","94.651","0.002","510.7","0.04","290","","290","","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-1,2-Bis(pyridin-4-yl)ethylene 1,4-diiodoperchlorobenzene–iodoperchlorobenzene(0.75/0.25)","","- C18 H10 Cl4.23 I1.77 N2 -","- C18 H10 Cl4.232 I1.768 N2 -","- C18 H10 Cl4.232 I1.768 N2 -","1","0.5","JX3092","Shapiro, Nicole M.; Govero, Mark D.; Bosch, Eric; Unruh, Daniel K.; Groeneman, Ryan H.","Mixed cocrystal approach influences the yield for a [2+2] cycloaddition reaction within a halogen-bonded organic solid.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 4","193","197","10.1107/S2053229625001913","","","0.71073","MoKα","","0.0296","0.0267","","","0.0473","0.0484","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","299510","2025-05-03","19:18:01",""
"2312781","4.0273","0.0002","10.8796","0.0005","12.3274","0.0005","110.481","0.001","92.729","0.001","94.387","0.002","502.9","0.04","210","","210","","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-1,2-Bis(pyridin-4-yl)ethylene 1,4-diiodoperchlorobenzene–iodoperchlorobenzene(0.75/0.25)","","- C18 H10 Cl4.22 I1.78 N2 -","- C18 H10 Cl4.222 I1.778 N2 -","- C18 H10 Cl4.222 I1.778 N2 -","1","0.5","JX3092","Shapiro, Nicole M.; Govero, Mark D.; Bosch, Eric; Unruh, Daniel K.; Groeneman, Ryan H.","Mixed cocrystal approach influences the yield for a [2+2] cycloaddition reaction within a halogen-bonded organic solid.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 4","193","197","10.1107/S2053229625001913","","","0.71073","MoKα","","0.0242","0.0226","","","0.0422","0.043","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","299510","2025-05-03","19:18:02",""
"2312782","12.2165","0.0003","14.7791","0.0004","9.4719","0.0002","90","","94.035","0.002","90","","1705.9","0.07","100","0.13","100","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>trans</i>-8-Methyl-<i>N</i>-vanillylnon-6-enamide","(6<i>E</i>)-<i>N</i>-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide","","- C18 H27 N O3 -","- C18 H27 N O3 -","- C72 H108 N4 O12 -","4","1","OC3025","Lozinšek, Matic","Single-crystal structure of the spicy capsaicin.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 4","188","192","10.1107/S2053229625001706","","x-ray","1.54184","CuKα","","0.0662","0.0444","","","0.1014","0.1115","","","","","","1.038","","","","has coordinates","299514","2025-05-03","19:19:01",""
"2312783","7.80545","0.00009","16.82204","0.00019","10.55058","0.00013","90","","105.48","0.0012","90","","1335.08","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","4-Fluorobenzylaminium di(methanesulfonyl)amidate–18-crown-6 (1/1)","4-Fluorobenzylaminium [(methanesulfonylazanidyl)sulfonyl]methane–1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C21 H39 F N2 O10 S2 -","- C21 H39 F N2 O10 S2 -","- C42 H78 F2 N4 O20 S4 -","2","1","JX3091","Wang, Yan Juan; Zhang, Yao; Tang, Yuan Yuan; Chen, Xiao Gang","Halogen-substituted benzylamine crown ether inclusion complexes.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 4","224","229","10.1107/S2053229625001986","","x-ray","1.54184","CuKα","","0.0207","0.0206","","","0.0557","0.0557","","","","","","1.029","","","","has coordinates,has Fobs","299511","2025-05-03","19:18:26",""
"2312784","11.1918","0.0001","17.5673","0.0001","14.9449","0.0002","90","","110.305","0.001","90","","2755.72","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4-Chlorobenzylaminium di(methanesulfonyl)amidate–18-crown-6 (1/1)","4-Chlorobenzylaminium [(methanesulfonylazanidyl)sulfonyl]methane–1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C21 H39 Cl N2 O10 S2 -","- C21 H39 Cl N2 O10 S2 -","- C84 H156 Cl4 N8 O40 S8 -","4","1","JX3091","Wang, Yan Juan; Zhang, Yao; Tang, Yuan Yuan; Chen, Xiao Gang","Halogen-substituted benzylamine crown ether inclusion complexes.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 4","224","229","10.1107/S2053229625001986","","x-ray","1.54184","CuKα","","0.0383","0.0348","","","0.0953","0.0978","","","","","","1.028","","","","has coordinates,has Fobs","299511","2025-05-03","19:18:26",""
"2312785","11.0239","0.0001","17.6926","0.0001","15.1608","0.0002","90","","105.659","0.001","90","","2847.24","0.05","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4-Bromobenzylaminium di(methanesulfonyl)amidate–18-crown-6 (1/1)","4-Bromobenzylaminium [(methanesulfonylazanidyl)sulfonyl]methane–1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C21 H39 Br N2 O10 S2 -","- C21 H39 Br N2 O10 S2 -","- C84 H156 Br4 N8 O40 S8 -","4","1","JX3091","Wang, Yan Juan; Zhang, Yao; Tang, Yuan Yuan; Chen, Xiao Gang","Halogen-substituted benzylamine crown ether inclusion complexes.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 4","224","229","10.1107/S2053229625001986","","x-ray","1.54184","CuKα","","0.0343","0.0318","","","0.0871","0.0885","","","","","","1.079","","","","has coordinates,has Fobs","299511","2025-05-03","19:18:26",""
"2312786","12.36861","0.0001","18.69927","0.00011","13.27057","0.0001","90","","111.316","0.0009","90","","2859.31","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4-Iodobenzylaminium di(methanesulfonyl)amidate–18-crown-6 (1/1)","4-Iodobenzylaminium [(methanesulfonylazanidyl)sulfonyl]methane–1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C21 H39 I N2 O10 S2 -","- C21 H39 I N2 O10 S2 -","- C84 H156 I4 N8 O40 S8 -","4","1","JX3091","Wang, Yan Juan; Zhang, Yao; Tang, Yuan Yuan; Chen, Xiao Gang","Halogen-substituted benzylamine crown ether inclusion complexes.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 4","224","229","10.1107/S2053229625001986","","x-ray","1.54184","CuKα","","0.0295","0.029","","","0.0807","0.0811","","","","","","1.045","","","","has coordinates,has Fobs","299511","2025-05-03","19:18:26",""
"2312787","8.62","0.0003","9.1565","0.0003","9.6855","0.0003","70.788","0.001","72.942","0.001","86.976","0.001","689.32","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","8-Ethynyl-2'-deoxyisoguanosine monohydrate","","- C12 H15 N5 O5 -","- C12 H15 N5 O5 -","- C24 H30 N10 O10 -","2","2","VP3042","Kondhare, Dasharath; Budow-Busse, Simone; Daniliuc, Constantin G.; Leonard, Peter","8-Ethynyl-2'-deoxyisoguanosine with two tautomeric forms in the unit cell: crystal structure, packing and Hirshfeld surface analysis.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 4","230","237","10.1107/S2053229625001998","","x-ray","1.54178","CuKα","","0.0286","0.0273","","","0.0687","0.0699","","","","","","1.026","","","","has coordinates,has Fobs","300171","2025-06-24","15:26:30",""
"2312788","10.6815","0.0002","8.3698","0.0001","21.012","0.0003","90","","103.564","0.0008","90","","1826.12","0.05","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2-Bis(4-methoxyphenyl)-1-thiaspiro[2.5]octane","","- C21 H24 O2 S -","- C21 H24 O2 S -","- C84 H96 O8 S4 -","4","1","WQ3148","Linden, Anthony; Egli, Daniel H.; Heimgartner, Heinz","Transformations of thiocarbonyls into alkenes via Barton-Kellogg olefination.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 4","238","245","10.1107/S2053229625002074","","","0.71073","MoKα","","0.0438","0.0349","","","0.0887","0.0951","","","","","","1.04","","","","has coordinates,has Fobs","299515","2025-05-03","19:19:16",""
"2312789","12.3664","0.0002","5.3819","0.0001","25.5086","0.0005","90","","93.4911","0.001","90","","1694.57","0.05","160","2","160","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[Cyclohexylidene(4-methoxyphenyl)methyl]-4-methoxybenzene","","- C21 H24 O2 -","- C21 H24 O2 -","- C84 H96 O8 -","4","1","WQ3148","Linden, Anthony; Egli, Daniel H.; Heimgartner, Heinz","Transformations of thiocarbonyls into alkenes via Barton-Kellogg olefination.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 4","238","245","10.1107/S2053229625002074","","","0.71073","MoKα","","0.072","0.0567","","","0.1399","0.1505","","","","","","1.055","","","","has coordinates,has Fobs","299515","2025-05-03","19:19:16",""
"2312790","15.2746","0.0002","6.6094","0.0001","19.8754","0.0003","90","","93.5489","0.0009","90","","2002.69","0.05","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-[Bis(4-methoxyphenyl)methylidene]-5-phenyl-3H-1,2-dithiole","","- C24 H20 O2 S2 -","- C24 H20 O2 S2 -","- C96 H80 O8 S8 -","4","1","WQ3148","Linden, Anthony; Egli, Daniel H.; Heimgartner, Heinz","Transformations of thiocarbonyls into alkenes via Barton-Kellogg olefination.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 4","238","245","10.1107/S2053229625002074","","","0.71073","MoKα","","0.0615","0.0419","","","0.0995","0.1116","","","","","","1.056","","","","has coordinates,has Fobs","299515","2025-05-03","19:19:16",""
"2312791","6.2843","0.0003","7.8063","0.0003","15.8286","0.0007","90","","90","","90","","776.51","0.06","295","2","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Potassium hafnium fluoride","Potassium hafnium pentafluoride","","- F5 Hf K -","- F5 Hf K -","- F40 Hf8 K8 -","8","2","QF3067","Grigorieva, Oksana P.; Tafeenko, Viktor A.; Berdonosov, Peter S.; Dolgikh, Valery A.","KHfF<sub>5</sub>: a new representative in the M<sup>I</sup>M<sup>IV</sup>F<sub>5</sub> family.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 4","246","251","10.1107/S2053229625002177","","","0.71073","MoKα","","0.0431","0.0349","","","0.0729","0.0749","","","","","","0.943","","","","has coordinates,has Fobs","299516","2025-05-03","19:19:28",""
"2312792","8.0695","0.0005","8.9083","0.0006","19.4438","0.0012","95.82","0.004","96.025","0.004","110.173","0.004","1290.48","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","2CN2T","","- C15 H9 F3 N2 O -","- C15 H9 F3 N2 O -","- C60 H36 F12 N8 O4 -","4","2","AW5098","Mandal, Koushik; Chopra, Deepak","Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","266","282","10.1107/S205252062500099X","","","0.71073","MoKα","","0.1493","0.0641","","","0.1403","0.1815","","","","","","0.908","","","","has coordinates,has Fobs","299165","2025-04-05","11:18:50",""
"2312793","4.7186","0.0005","9.5567","0.001","28.036","0.0003","90","","93.525","0.0018","90","","1261.87","0.19","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3CN4T","","- C15 H9 F3 N2 O -","- C15 H9 F3 N2 O -","- C60 H36 F12 N8 O4 -","4","1","","Mandal, Koushik; Chopra, Deepak","Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","266","282","10.1107/S205252062500099X","","","0.71073","MoKα","","0.1926","0.1464","","","0.3182","0.3439","","","","","","1.148","","","","has coordinates,has Fobs","299165","2025-04-05","11:18:50",""
"2312794","18.77","0.02","19.92","0.02","7.226","0.009","90","","90.72","0.03","90","","2702","5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4CN3T","","- C15 H9 F3 N2 O -","- C15 H9 F3 N2 O -","- C120 H72 F24 N16 O8 -","8","2","","Mandal, Koushik; Chopra, Deepak","Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","266","282","10.1107/S205252062500099X","","","0.71073","MoKα","","0.3098","0.15","","","0.3392","0.4411","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","299165","2025-04-05","11:18:50",""
"2312795","9.5134","0.0009","11.4082","0.001","12.2991","0.0011","91.435","0.003","90.336","0.003","94.786","0.003","1329.7","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","4CN4T.F1","","- C15 H9 F3 N2 O -","- C15 H9 F3 N2 O -","- C60 H36 F12 N8 O4 -","4","2","","Mandal, Koushik; Chopra, Deepak","Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","266","282","10.1107/S205252062500099X","","","0.71073","MoKα","","0.1202","0.0942","","","0.22","0.2375","","","","","","1.091","","","","has coordinates,has Fobs","299165","2025-04-05","11:18:50",""
"2312796","7.746","0.002","19.804","0.006","9.126","0.003","90","","108.55","0.004","90","","1327.2","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4CN4T.F2","","- C15 H9 F3 N2 O -","- C15 H9 F3 N2 O -","- C60 H36 F12 N8 O4 -","4","1","","Mandal, Koushik; Chopra, Deepak","Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","266","282","10.1107/S205252062500099X","","","0.71073","MoKα","","0.0914","0.065","","","0.1993","0.2634","","","","","","1.014","","","","has coordinates,has Fobs","299165","2025-04-05","11:18:50",""
"2312797","4.934","0.002","18.064","0.006","14.446","0.005","90","","96.061","0.017","90","","1280.3","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2CN3T","","- C15 H9 F3 N2 O -","- C15 H9 F3 N2 O -","- C60 H36 F12 N8 O4 -","4","1","","Mandal, Koushik; Chopra, Deepak","Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","266","282","10.1107/S205252062500099X","","","0.71073","MoKα","","0.1177","0.0677","","","0.1492","0.1729","","","","","","1.027","","","","has coordinates,has Fobs","299165","2025-04-05","11:18:50",""
"2312798","4.9872","0.0007","34.236","0.004","7.7939","0.0011","90","","106.747","0.009","90","","1274.3","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2CN4T","","- C15 H9 F3 N2 O -","- C15 H9 F3 N2 O -","- C60 H36 F12 N8 O4 -","4","1","","Mandal, Koushik; Chopra, Deepak","Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","266","282","10.1107/S205252062500099X","","","0.71073","MoKα","","0.1495","0.0709","","","0.1433","0.1785","","","","","","1.001","","","","has coordinates,has Fobs","299165","2025-04-05","11:18:50",""
"2312799","11.0877","0.0006","13.1614","0.0007","14.1078","0.0008","77.631","0.003","74.266","0.003","79.294","0.003","1917.68","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","","3CN2T","","- C15 H9 F3 N2 O -","- C15 H9 F3 N2 O -","- C90 H54 F18 N12 O6 -","6","3","","Mandal, Koushik; Chopra, Deepak","Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","266","282","10.1107/S205252062500099X","","","0.71073","MoKα","","0.097","0.0582","","","0.1118","0.125","","","","","","1.06","","","","has coordinates,has Fobs","299165","2025-04-05","11:18:50",""
"2312800","11.7628","0.0004","12.5764","0.0004","8.6239","0.0003","90","","93.019","0.002","90","","1273.99","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3CN3T","","- C15 H9 F3 N2 O -","- C15 H9 F3 N2 O -","- C60 H36 F12 N8 O4 -","4","1","","Mandal, Koushik; Chopra, Deepak","Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","266","282","10.1107/S205252062500099X","","","0.71073","MoKα","","0.0608","0.0481","","","0.1293","0.1421","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","299165","2025-04-05","11:18:50",""
"2312801","10.804","0.0008","13.3892","0.001","18.8504","0.0014","90","","104.148","0.005","90","","2644.1","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4CN2T","","- C15 H9 F3 N2 O -","- C15 H9 F3 N2 O -","- C120 H72 F24 N16 O8 -","8","2","","Mandal, Koushik; Chopra, Deepak","Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","2","266","282","10.1107/S205252062500099X","","","0.71073","MoKα","","0.1786","0.0774","","","0.1611","0.2073","","","","","","0.983","","","","has coordinates,has Fobs","299165","2025-04-05","11:18:50",""
"2312802","3.8399","0.0001","3.8399","0.0001","24.2936","0.0012","90","","90","","90","","358.21","0.02","300.8","0.9","300.8","0.9","","","","","","","","4","I 4/m m m","-I 4 2","139","","Tristrontium dinickel pentaoxide dichloride","","- Cl2 Ni2 O5 Sr3 -","- Cl2 Ni2 O5 Sr3 -","- Cl4 Ni4 O10 Sr6 -","2","0.0625","DG3068","Yamane, Kazuki; Matsushita, Yoshitaka; Adachi, Shintaro; Hiroto, Takanobu; Matsumoto, Ryo; Terashima, Kensei; Sakurai, Hiroya; Takano, Yoshihiko","High-pressure synthesis of bilayer nickelate Sr<sub>3</sub>Ni<sub>2</sub>O<sub>5</sub>Cl<sub>2</sub> with a tetragonal crystal structure.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 5","259","263","10.1107/S2053229625002281","","x-ray","0.71073","MoKα","","0.0325","0.0285","","","0.0742","0.0757","","","","","","1.123","","","","has coordinates,has Fobs","299922","2025-06-03","19:24:19",""
"2312803","14.158","0.003","9.698","0.003","13.509","0.003","90","","118.09","0.03","90","","1636.4","0.8","289","1","289","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(1-Oxo-1-phenylpentan-2-yl)pyrrolidin-1-ium chloride monohydrate","","- C15 H24 Cl N O2 -","- C15 H24 Cl N O2 -","- C60 H96 Cl4 N4 O8 -","4","1","VP3040","Kuś, Piotr; Kusz, Joachim; Książek, Maria; Rojkiewicz, Marcin","Crystal structures of two pyrrolidin-1-yl derivatives of cathinone: α-PVP and α-D2PV.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 5","252","258","10.1107/S2053229625002499","","","1.54184","CuKα","","0.2344","0.099","","","0.2349","0.3511","","","","","","0.901","","","","has coordinates,has Fobs","299924","2025-06-03","19:24:56",""
"2312804","10.1168","0.0003","12.5522","0.0003","12.6674","0.0003","90","","95.466","0.002","90","","1601.29","0.07","288","1","288","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-Oxo-1,2-diphenylethyl)pyrrolidin-1-ium chloride","","- C18 H20 Cl N O -","- C18 H20 Cl N O -","- C72 H80 Cl4 N4 O4 -","4","1","VP3040","Kuś, Piotr; Kusz, Joachim; Książek, Maria; Rojkiewicz, Marcin","Crystal structures of two pyrrolidin-1-yl derivatives of cathinone: α-PVP and α-D2PV.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 5","252","258","10.1107/S2053229625002499","","","1.54184","CuKα","","0.0465","0.0406","","","0.1105","0.1167","","","","","","1.046","","","","has coordinates,has Fobs","299924","2025-06-03","19:24:56",""
"2312805","12.789","0.0003","12.789","0.0003","6.8269","0.0002","90","","90","","90","","1116.6","0.05","290","1","290","1","","","","","","","","3","I 41/a :2","-I 4ad","88","Erythritol","(2<i>R</i>,3<i>S</i>)-Butane-1,2,3,4-tetrol","","- C4 H10 O4 -","- C4 H10 O4 -","- C32 H80 O32 -","8","0.5","VP3040","Kuś, Piotr; Kusz, Joachim; Książek, Maria; Rojkiewicz, Marcin","Crystal structures of two pyrrolidin-1-yl derivatives of cathinone: α-PVP and α-D2PV.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 5","252","258","10.1107/S2053229625002499","","","0.71073","MoKα","","0.0359","0.0338","","","0.1056","0.1082","","","","","","1.091","","","","has coordinates,has Fobs","299924","2025-06-03","19:24:56",""
"2312806","6.8758","0.0001","11.5636","0.0001","20.2149","0.0002","88.668","0.001","82.257","0.001","74.113","0.001","1531.62","0.03","100.02","0.12","100.02","0.12","","","","","","","","5","P -1","-P 1","2","3-(2,4-Dichlorobenzyl)-1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione dihydrochloride monohydrate ethyl acetate hemisolvate","4-(3-{3-[(2,4-Dichlorophenyl)methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl}-2-hydroxypropyl)-1-phenylpiperazine-1,4-diium dichloride monohydrate ethyl acetate hemisolvate","","- C27 H38 Cl4 N4 O5 -","- C25 H34 Cl4 N4 O4 -","- C50 H68 Cl8 N8 O8 -","2","1","EQ3022","Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Crystallographic studies of piperazine derivatives of 5,5-dimethylhydantoin in the search for structural features of α<sub>1</sub>-adrenoreceptors antagonists.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 5","264","272","10.1107/S2053229625002608","","x-ray","1.54184","CuKα","","0.038","0.037","","","0.0962","0.097","","","","","","1.026","","","","has coordinates,has Fobs","299923","2025-06-03","19:24:42",""
"2312807","15.3245","0.0003","19.7187","0.0004","10.2687","0.0002","90","","102.051","0.002","90","","3034.6","0.11","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-(2,4-Dichlorobenzyl)-1-{2-hydroxy-3-[4-(2-cyanophenyl)piperazin-1-yl]propyl}-5,5-dimethylimidazolidine-2,4-dione hydrochloride acetonitrile monosolvate","4-(2-Cyanophenyl)-1-(3-{3-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl}-2-hydroxypropyl)piperazin-1-ium chloride acetonitrile monosolvate","","- C28 H33 Cl3 N6 O3 -","- C28 H33 Cl3 N6 O3 -","- C112 H132 Cl12 N24 O12 -","4","1","EQ3022","Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Crystallographic studies of piperazine derivatives of 5,5-dimethylhydantoin in the search for structural features of α<sub>1</sub>-adrenoreceptors antagonists.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 5","264","272","10.1107/S2053229625002608","","x-ray","0.71073","MoKα","","0.0854","0.0581","","","0.1415","0.162","","","","","","1.046","","","","has coordinates,has Fobs","299923","2025-06-03","19:24:42",""
"2312808","7.8861","0.0001","13.2","0.0001","15.0567","0.0001","64.519","0.001","80.332","0.001","85.943","0.001","1394.79","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","3-(2,4-Dichlorobenzyl)-1-{2-hydroxy-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]propyl}-5,5-dimethylimidazolidine-2,4-dione hydrochloride","1-(3-{3-[(2,4-Dichlorophenyl)methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl}-2-hydroxypropyl)-4-(3,4-dimethylphenyl)piperazin-1-ium chloride","","- C27 H35 Cl3 N4 O3 -","- C27 H35 Cl3 N4 O3 -","- C54 H70 Cl6 N8 O6 -","2","1","EQ3022","Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Crystallographic studies of piperazine derivatives of 5,5-dimethylhydantoin in the search for structural features of α<sub>1</sub>-adrenoreceptors antagonists.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 5","264","272","10.1107/S2053229625002608","","x-ray","1.54184","CuKα","","0.0351","0.0337","","","0.087","0.0881","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","299923","2025-06-03","19:24:42",""
"2312809","7.9118","0.0002","13.4409","0.0002","14.316","0.0002","63.76","0.002","82.393","0.002","89.401","0.002","1351.51","0.05","100","0.11","100","0.11","","","","","","","","5","P -1","-P 1","2","3-(2,4-Dichlorobenzyl)-1-{2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl}-5,5-dimethylimidazolidine-2,4-dione hydrochloride","1-(3-{3-[(2,4-Dichlorophenyl)methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl}-2-hydroxypropyl)-4-(3-methoxyphenyl)piperazin-1-ium chloride","","- C26 H33 Cl3 N4 O4 -","- C26 H33 Cl3 N4 O4 -","- C52 H66 Cl6 N8 O8 -","2","1","EQ3022","Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Crystallographic studies of piperazine derivatives of 5,5-dimethylhydantoin in the search for structural features of α<sub>1</sub>-adrenoreceptors antagonists.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 5","264","272","10.1107/S2053229625002608","","x-ray","1.54184","CuKα","","0.0555","0.0528","","","0.1626","0.1667","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","299923","2025-06-03","19:24:42",""
"2312810","7.8666","0.0001","12.9316","0.0001","14.7308","0.0001","70.208","0.001","81.435","0.001","87.759","0.001","1394.18","0.02","100","0.12","100","0.12","","","","","","","","5","P -1","-P 1","2","3-(2,4-Dichlorobenzyl)-1-{2-hydroxy-3-[4-(2,3-dichlophenyl)piperazin-1-yl]propyl}-5,5-dimethylimidazolidine-2,4-dione hydrochloride 0.2-hydrate","4-(2,3-Dichlorophenyl)-1-(3-{3-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl}-2-hydroxypropyl)piperazin-1-ium chloride 0.2-hydrate","","- C25 H29.4 Cl5 N4 O3.2 -","- C25 H29 Cl5 N4 O3 -","- C50 H58 Cl10 N8 O6 -","2","1","EQ3022","Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Crystallographic studies of piperazine derivatives of 5,5-dimethylhydantoin in the search for structural features of α<sub>1</sub>-adrenoreceptors antagonists.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 5","264","272","10.1107/S2053229625002608","","x-ray","1.54184","CuKα","","0.0345","0.0331","","","0.088","0.0891","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","299923","2025-06-03","19:24:42",""
"2312811","8.0564","0.0003","11.5668","0.0005","15.0297","0.0007","75.73","0.004","85.666","0.003","75.595","0.004","1314.53","0.1","130","0.1","130","0.1","","","","","","","","5","P -1","-P 1","2","3-(2,4-Dichlorobenzyl)-1-{2-hydroxy-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl}-5,5-dimethylimidazolidine-2,4-dione","3-[(2,4-Dichlorophenyl)methyl]-1-{3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl}-5,5-dimethylimidazolidine-2,4-dione","","- C25 H28 Cl4 N4 O3 -","- C25 H28 Cl4 N4 O3 -","- C50 H56 Cl8 N8 O6 -","2","1","EQ3022","Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Crystallographic studies of piperazine derivatives of 5,5-dimethylhydantoin in the search for structural features of α<sub>1</sub>-adrenoreceptors antagonists.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 5","264","272","10.1107/S2053229625002608","","x-ray","0.71073","MoKα","","0.0917","0.0607","","","0.1446","0.1651","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","299923","2025-06-03","19:24:42",""
"2312812","7.167","0.0006","12.0884","0.001","12.4019","0.001","90","","90.044","0.008","90","","1074.47","0.15","288","2","288","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ca Cs4 O19 Si8 -","- Ca Cs4 O19 Si8 -","- Ca2 Cs8 O38 Si16 -","2","0.5","","Kahlenberg, Volker","Cs<sub>4</sub>Ca[Si<sub>8</sub>O<sub>19</sub>]: a new mixed tetrahedral-octahedral oxosilicate, its topological features and comparison with other interrupted framework silicates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","3","","","10.1107/S2052520625002537","","x-ray","0.71073","MoKα","","0.0421","0.0364","","","0.0891","0.092","","","","","","1.055","","","","has coordinates","299327","2025-04-18","01:48:41",""
"2312828","6.4597","0.0008","9.2666","0.0011","17.382","0.002","104.113","0.005","96.645","0.005","99.656","0.005","981.3","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","6-[4-(1-Cyclohexyl-1<i>H</i>-tetrazol-5-yl)butoxy]-8-nitro-3,4-dihydroquinolin-2(1<i>H</i>)-one","","- C20 H26 N6 O4 -","- C20 H26 N6 O4 -","- C40 H52 N12 O8 -","2","1","TX2094","Dutta, Arnab; Dhasmana, Yogesh; Mohan, T. P.; Selvakumar, B.; Chopra, Deepak","Crystal structure and Hirshfeld surface analysis of 6-[4-(1-cyclo-hexyl-1<i>H</i>-tetra-zol-5-yl)but-oxy]-8-nitro-3,4-di-hydro-quinolin-2(1<i>H</i>)-one.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","284","288","10.1107/S2056989025001793","","x-ray","0.71073","MoKα","","0.1012","0.0689","","","0.1302","0.1414","","","","","","1.08","","","","has coordinates","299506","2025-05-03","19:02:26",""
"2312829","15.8765","0.0004","16.2381","0.0003","8.0187","0.0002","90","","92.984","0.002","90","","2064.45","0.08","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloridobis(propyl 4-{[1-(2-methyl-4-nitrophenyl)-1<i>H</i>-1,2,3-triazol-4-yl]methoxy}benzoate)copper(II)","","- C40 H40 Cl2 Cu N8 O10 -","- C40 H40 Cl2 Cu N8 O10 -","- C80 H80 Cl4 Cu2 N16 O20 -","2","0.5","EJ2010","Hakimov, Muminjon; Ortikov, Ilkhomjon; Sattarov, Tulkinjon; Tashkhodjaev, Bakhodir; Tojiboev, Akmaljon","Synthesis, crystal structure and Hirshfeld surface analysis of a propyl 4-{[1-(2-methyl-4-nitro-phen-yl)-1<i>H</i>-1,2,3-triazol-4-yl]meth-oxy}benzoate copper(II) chloride complex.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","271","274","10.1107/S2056989025001732","","","1.54184","CuKα","","0.0659","0.0583","","","0.1652","0.1706","","","","","","1.075","","","","has coordinates","299507","2025-05-03","19:02:51",""
"2312830","12.692","0.003","11.349","0.002","25.812","0.005","90","","95.29","0.03","90","","3702.2","1.3","100.1","1","100.1","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(5,6-Dimethyl-1,10-phenanthroline)(2-{[2-(diphenylphosphanyl)benzylidene]amino}ethan-1-amine)platinum(II) dinitrate methanol disolvate","","- C37 H41 N6 O8 P Pt -","- C37 H41 N6 O8 P Pt -","- C148 H164 N24 O32 P4 Pt4 -","4","1","NY2011","Jurisinec, Ashley; Zhang, Yingjie; Aldrich-Wright, Janice R","(5,6-Dimethyl-1,10-phenanthroline)(2-{[2-(di-phenyl-phosphan-yl)benzyl-idene]amino}-ethan-1-amine)-platinum(II) dinitrate methanol disolvate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","275","278","10.1107/S2056989025001847","","","0.71078","silicondoublecrystalmonochromatedsynchrotron","","0.0462","0.0404","","","0.1022","0.1079","","","","","","1.039","","","","has coordinates","299508","2025-05-03","19:03:51",""
"2312831","9.12784","0.00017","9.29662","0.00017","10.85172","0.00019","83.0139","0.0014","73.4998","0.0016","71.4982","0.0016","836.8","0.03","100","2","99.98","0.11","","","","","","","","6","P -1","-P 1","2","","1-Amino-3-(4-chlorophenyl)-2-cyano-3<i>H</i>-benzo[4,5]thiazolo[3,2-<i>a</i>]pyridine-4-carboxamide","","- C19 H13 Cl N4 O S -","- C19 H13 Cl N4 O S -","- C38 H26 Cl2 N8 O2 S2 -","2","1","YZ2064","Metwally, Nadia H.; Elgemeie, Galal H.; Abd Al-Latif, El-Shimaa S M; Jones, Peter G.","Crystal structure of 1-amino-3-(4-chloro-phen-yl)-2-cyano-3<i>H</i>-benzo[4,5]thia-zolo[3,2-<i>a</i>]pyridine-4-carboxamide.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","279","283","10.1107/S2056989025001562","","x-ray","0.71073","MoKα","","0.0387","0.0293","","","0.0877","0.0918","","","","","","1.047","","","","has coordinates","299509","2025-05-03","19:04:26",""
"2312832","26.428","0.01","17.871","0.007","9.627","0.004","90","","90","","90","","4547","3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","Poly[diaqua[μ-4,4'-({2,2-bis[(pyridin-4-yloxy)methyl]propane-1,3-diyl}bis(oxy))dipyridine]bis(μ-naphthalene-1,4-dicarboxylato)dicobalt(II)]","","- C49 H40 Co2 N4 O14 -","- C49 H40 Co2 N4 O14 -","- C196 H160 Co8 N16 O56 -","4","0.5","DG3071","Lian, Zhaoxun; Zhao, Ning","Investigation into the third-order nonlinear optical properties of a three-dimensional cobalt(II) coordination polymer constructed from naphthalene-1,4-dicarboxylic acid and 4,4'-({2,2-bis[(pyridin-4-yloxy)methyl]propane-1,3-diyl}bis(oxy))dipyridine.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625003894","","","0.71073","MoKα","","0.0505","0.0341","","","0.0867","0.0944","","","","","","1.05","","","","has coordinates,has Fobs","299592","2025-05-09","02:01:39",""
"2312833","5.8791","0.0002","11.2982","0.0005","3.2771","0.0001","90","","90","","90","","217.676","0.014","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","Magnesium nickel tetraboride","","- B8 Mg2 Ni2 -","- B8 Mg2 Ni2 -","- B16 Mg4 Ni4 -","2","0.25","ZO3064","Pavlyuk, Nazar; Bondaruk, Alina; Zelinski, Anatoliy; Rozdzynska-Kielbik, Beata; Kulawik, Damian; Ciesielski, Wojciech; Pavlyuk, Volodymyr","New ternary boride MgNiB<sub>4</sub>: structural and hydriding properties.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625003821","","","0.71073","MoKα","","0.0402","0.037","","","0.0988","0.1003","","","","","","1.05","","","","has coordinates,has Fobs","299593","2025-05-09","02:01:56",""
"2312834","5.2066","0.0001","7.3264","0.0001","9.2475","0.0001","108.907","0.001","105.498","0.001","92.31","0.001","318.455","0.009","100","0.11","100","0.11","","","","","","","","4","P -1","-P 1","2","","bis-(hydrogenmaleate)tetraaquairon(II)","","- C8 H14 Fe O12 -","- C8 H14 Fe0.5 O12 -","- C8 H14 Fe0.5 O12 -","1","0.5","","Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo","Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","3","","","10.1107/S2052520625003403","","","0.71073","MoKα","","0.016","0.016","","","","0.045","","","","","","1.409","","","","has coordinates","299627","2025-05-13","01:46:35",""
"2312835","5.2066","0.0001","7.3264","0.0001","9.2475","0.0001","108.907","0.001","105.498","0.001","92.31","0.001","318.455","0.009","100","0.11","100","0.11","","","","","","","","4","P -1","-P 1","2","","bis-(hydrogenmaleate)tetraaquairon(II)","","- C8 H14 Fe O12 -","- C8 H14 Fe0.5 O12 -","- C8 H14 Fe0.5 O12 -","1","0.5","","Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo","Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","3","","","10.1107/S2052520625003403","","","0.71073","MoKα","","0.019","0.01","","","","0.032","","","","","","1.143","","","","has coordinates","299627","2025-05-13","01:46:39",""
"2312836","5.2066","0.0001","7.3264","0.0001","9.2475","0.0001","108.907","0.001","105.498","0.001","92.31","0.001","318.455","0.009","100.15","","100","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C4 H7 Fe0.5 O6 -","- C4 H7 Fe0.5 O6 -","- C8 H14 Fe O12 -","2","1","","Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo","Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","3","","","10.1107/S2052520625003403","","","0.71073","MoKα","","0.0176","0.0174","","","0.0476","0.0478","","","","","","1.1446","","","","has coordinates","299627","2025-05-13","01:46:50",""
"2312837","5.2066","0.0001","7.3264","0.0001","9.2475","0.0001","108.907","0.001","105.498","0.001","92.31","0.001","318.455","0.009","100.15","","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H7 Fe0.5 O6 -","- C4 H7 Fe0.5 O6 -","- C8 H14 Fe O12 -","2","1","","Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo","Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","3","","","10.1107/S2052520625003403","","","0.71073","MoKα","","0.0116","0.0114","","","0.0337","0.0339","","","","","","1.0138","","","","has coordinates","299627","2025-05-13","01:46:51",""
"2312838","5.20542","0.00004","7.32708","0.00005","9.24798","0.00006","108.873","0.0006","105.572","0.0006","92.2943","0.0006","318.38","0.004","100","0.3","","","","","","","","","","4","P -1","-P 1","2","","bis-(hydrogenmaleate)tetraaquairon(II)","","- C8 H14 Fe O12 -","- C8 H14 Fe0.5 O12 -","- C8 H14 Fe0.5 O12 -","1","0.5","","Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo","Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","3","","","10.1107/S2052520625003403","","","","","","0.02","0.019","","","","0.023","","","","","","1.157","","","","has coordinates","299627","2025-05-13","01:46:51",""
"2312839","10.599","0.001","13.9435","0.0015","18.859","0.002","83.672","0.007","74.388","0.007","71.152","0.007","2539.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(μ~2~-3,6-Dioxo-2,5-diphenylcyclohexa-1,4-diene-1,4-diolato)bis[{tris[(pyridin-2-yl)methyl]amine}iron(II) bis(tetrafluoroborate)","","- C54 H46 B2 F8 Fe2 N8 O4 -","- C54 H46 B2 F8 Fe2 N8 O4 -","- C108 H92 B4 F16 Fe4 N16 O8 -","2","1","QF3068","Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.","Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625003584","","x-ray","0.71073","MoKα","","0.1935","0.0641","","","0.1055","0.1409","","","","","","0.932","","","","has coordinates,has disorder,has Fobs","299628","2025-05-13","01:51:06",""
"2312840","11.9796","0.0005","12.9429","0.0006","18.6553","0.0008","90","","97.868","0.002","90","","2865.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(μ~2~-3,6-Dioxo-2,5-diphenylcyclohexa-1,4-diene-1,4-diolato)bis[{tris[(pyridin-2-yl)methyl]amine}cobalt(II)] bis(tetrafluoroborate) acetonitrile disolvate","","- C58 H52 B2 Co2 F8 N10 O4 -","- C58 H52 B2 Co2 F8 N10 O4 -","- C116 H104 B4 Co4 F16 N20 O8 -","2","0.5","QF3068","Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.","Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625003584","","x-ray","0.71073","MoKα","","0.0359","0.0295","","","0.0736","0.0778","","","","","","1.036","","","","has coordinates,has Fobs","299628","2025-05-13","01:51:11",""
"2312841","10.6863","0.0015","12.962","0.002","15.377","0.002","80.478","0.01","80.379","0.009","85.651","0.009","2068.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[{Tris[(pyridin-2-yl)methyl]amine}cobalt(III)]-μ-3,6-dioxo-2,5-diphenylcyclohexa-1,4-diene-1,4-diolato-[diacetonitrilecobalt(II)]-μ-3,6-dioxo-2,5-diphenylcyclohexa-1,4-diene-1,4-diolato-[{tris[(pyridin-2-yl)methyl]amine}cobalt(III)] bis(tetrafluoroborate) acetonitrile disolvate","","- C80 H68 B4 Co3 F16 N12 O8 -","- C80 H68 B4 Co3 F16 N12 O8 -","- C80 H68 B4 Co3 F16 N12 O8 -","1","0.5","QF3068","Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.","Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625003584","","x-ray","0.71073","MoKα","","0.3061","0.1115","","","0.2482","0.3474","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","299628","2025-05-13","01:51:12",""
"2312842","10.9172","0.0007","11.0896","0.0007","12.1795","0.0008","101.725","0.003","105.794","0.003","101.012","0.003","1340.94","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(μ~2~-3,6-Dioxo-2,5-diphenylcyclohexa-1,4-diene-1,4-diolato)bis[{tris[(pyridin-2-yl)methyl]amine}zinc(II)] bis(tetrafluoroborate)–acetonitrile–diethyl ether (1/0.9/0.1)","","- C56.22 H49.75 B2 F8 N8.89 O4.11 Zn2 -","- C56.2156 H49.7546 B2 F8 N8.8922 O4.1078 Zn2 -","- C56.2156 H49.7546 B2 F8 N8.8922 O4.1078 Zn2 -","1","0.5","QF3068","Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.","Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625003584","","x-ray","0.71073","MoKα","","0.0262","0.0249","","","0.0691","0.07","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","299628","2025-05-13","01:51:13",""
"2312843","10.3788","0.0006","11.2806","0.0006","12.8562","0.0006","74.85","0.003","89.905","0.005","84.861","0.003","1446.67","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(μ~2~-3,6-Dioxo-2,5-diphenylcyclohexa-1,4-diene-1,4-diolato)bis[{tris[(pyridin-2-yl)methyl]amine}nickel(II)] bis(tetrafluoroborate) acetonitrile 2.5-solvate","","- C59 H53.5 B2 F8 N10.5 Ni2 O4 -","- C59 H53.5 B2 F8 N10.5 Ni2 O4 -","- C59 H53.5 B2 F8 N10.5 Ni2 O4 -","1","0.5","QF3068","Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.","Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625003584","","x-ray","0.71073","MoKα","","0.0543","0.0388","","","0.0941","0.1036","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","299628","2025-05-13","01:51:13",""
"2312844","8.8588","0.0007","18.8289","0.0014","20.4271","0.0015","76.672","0.004","87.948","0.004","80.721","0.004","3272.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(μ~2~-3,6-Dioxo-2,5-diphenylcyclohexa-1,4-diene-1,4-diolato)bis[{tris[(pyridin-2-yl)methyl]amine}ruthenium(II)] dichloride–methanol–water (1/5.5/0.5)","","- C59.5 H69 Cl2 N8 O10 Ru2 -","- C59.5 H69 Cl1.999 N8 O10 Ru2 -","- C119 H138 Cl3.998 N16 O20 Ru4 -","2","1","QF3068","Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.","Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625003584","","x-ray","0.71073","MoKα","","0.0491","0.0393","","","0.0988","0.1055","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","299628","2025-05-13","01:51:13",""
"2312845","11.4707","0.0012","12.3775","0.0012","18.1357","0.0019","90.729","0.005","103.969","0.005","103.874","0.004","2419","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(μ~2~-3,6-Diphenylnemzene-1,2,4,5-tetraolato)bis[{tris[(pyridin-2-yl)methyl]amine}gallium(II)] bis(tetraphenylborate) dimethylformamide tetrasolvate","","- C114 H114 B2 Ga2 N12 O8 -","- C114 H114 B2 Ga2 N12 O8 -","- C114 H114 B2 Ga2 N12 O8 -","1","0.5","QF3068","Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.","Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625003584","","x-ray","0.71073","MoKα","","0.0445","0.0367","","","0.0998","0.1045","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","299628","2025-05-13","01:51:14",""
"2312846","6.7537","0.0005","7.2976","0.0005","26.7943","0.0019","90","","90","","90","","1320.58","0.16","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,5-Dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione","","- C18 H12 O4 -","- C18 H12 O4 -","- C72 H48 O16 -","4","0.5","QF3068","Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.","Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625003584","","x-ray","0.71073","MoKα","","0.0508","0.045","","","0.1189","0.1233","","","","","","1.075","","","","has coordinates,has Fobs","299628","2025-05-13","01:51:14",""
"2312847","5.4224","0.0005","8.9702","0.0009","14.1901","0.0014","81.071","0.006","84.938","0.006","78.087","0.006","666.03","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,5-Dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione dioxane trisolvate","","- C30 H36 O10 -","- C30 H36 O10 -","- C30 H36 O10 -","1","0.5","QF3068","Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.","Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625003584","","x-ray","0.71073","MoKα","","0.1074","0.0584","","","0.1421","0.1611","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","299628","2025-05-13","01:51:15",""
"2312848","17.5401","0.0012","38.071","0.003","31.818","0.002","90","","101.261","0.003","90","","20838","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ~2~-3,6-Dioxo-2,5-diphenylcyclohexa-1,4-diene-1,4-diolato)bis[(dimethylformamide){tris[(pyridin-2-yl)methyl]amine}manganese(II)] bis(tetraphenylborate)–diethyl ether–dimethylformamide (1/0.5/0.5)","","- C111.5 H108.5 B2 Mn2 N10.5 O7 -","- C111.5 H108.5 B2 Mn2 N10.5 O7 -","- C892 H868 B16 Mn16 N84 O56 -","8","2","QF3068","Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.","Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625003584","","x-ray","0.71073","MoKα","","0.1282","0.0786","","","0.1706","0.1949","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","299628","2025-05-13","01:51:15",""
"2312849","9.2445","0.0003","12.4193","0.0004","9.991","0.0004","90","","98.929","0.001","90","","1133.17","0.07","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Aminocarb","4-(Dimethylamino)-3-methylphenyl methylcarbamate","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C44 H64 N8 O8 -","4","1","OP3034","Akerele, Oluwatoyin; Lemmerer, Andreas","Exploration of the structure and interactions of 4-(dimethylamino)-3-methylphenyl N-methylcarbamate (Aminocarb).","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S205322962500378X","","","0.71073","MoKα","","0.0466","0.041","","","0.1145","0.1176","","","","","","1.058","","","","has coordinates","299645","2025-05-14","01:51:13",""
"2312850","11.2","0.006","16.244","0.01","8.058","0.005","90","","93.138","0.019","90","","1463.8","1.5","173","2","173","2","","","","","","","synthesised by authors, see text","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-{2-[(<i>E</i>)-2-oxo-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}benzoate","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Chetioui, Souheyla; Khelloul, Nawel; Boukabcha, Nourdine; Benhalima, Nadia; Smati, Sabrina; Drim, Khaled; Chouaih, Abdelkader","Synthesis, crystal structure, Hirshfeld surface analysis and experimental and theoretical study of new azo compound methyl 2-{2-[(E)-2-oxo-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}benzoate.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625003523","","","0.71073","MoKα","","0.1036","0.0565","","","0.1351","0.1599","","","","","","1.02","","","","has coordinates,has Fobs","299646","2025-05-14","01:51:44",""
"2312851","6.905","0.0009","17.549","0.007","5.5212","0.0013","90","","90","","90","","669","0.3","295","2","295","2","500000","","","","","","","3","P c a 21","P 2c -2ac","29","","n-Hexylamine","","- C6 H15 N -","- C6 H15 N -","- C24 H60 N4 -","4","1","VP3043","Kuleczka, Bernadetta; Sacharczuk, Natalia; Olejniczak, Anna; Podsiadło, Marcin","High-pressure crystal structure of n-hexylamine.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625004504","","","0.71073","MoKα","","0.1726","0.0544","","","0.0871","0.118","","","","","","1.039","","","","has coordinates","299817","2025-05-27","01:55:34",""
"2312852","6.8591","0.0009","17.494","0.005","5.4892","0.0004","90","","90","","90","","658.7","0.2","295","2","295","2","650000","","","","","","","3","P c a 21","P 2c -2ac","29","","n-Hexylamine","","- C6 H15 N -","- C6 H15 N -","- C24 H60 N4 -","4","1","VP3043","Kuleczka, Bernadetta; Sacharczuk, Natalia; Olejniczak, Anna; Podsiadło, Marcin","High-pressure crystal structure of n-hexylamine.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625004504","","","0.71073","MoKα","","0.1434","0.0472","","","0.098","0.1313","","","","","","0.977","","","","has coordinates","299817","2025-05-27","01:55:35",""
"2312853","6.7241","0.0019","17.052","0.013","5.3367","0.0007","90","","90","","90","","611.9","0.5","295","2","295","2","1400000","","","","","","","3","P c a 21","P 2c -2ac","29","","n-Hexylamine","","- C6 H15 N -","- C6 H15 N -","- C24 H60 N4 -","4","1","VP3043","Kuleczka, Bernadetta; Sacharczuk, Natalia; Olejniczak, Anna; Podsiadło, Marcin","High-pressure crystal structure of n-hexylamine.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625004504","","","0.71073","MoKα","","0.1624","0.0612","","","0.1466","0.1943","","","","","","1.038","","","","has coordinates","299817","2025-05-27","01:55:35",""
"2312854","4.9196","0.0003","4.9196","0.0003","17.8704","0.0009","90","","90","","90","","432.51","0.04","293","","293","","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","sodium aluminium difluorosulfate","","","- Al F2 Na O4 S -","- Al F2 Na O4 S -","- Al4 F8 Na4 O16 S4 -","4","0.25","VP3044","Le Bail, Armel; Lossius, Lorentz Petter; Finnestad, Jone","NaAl(SO<sub>4</sub>)F<sub>2</sub>: a single-layer two-dimensional perovskite.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625004280","powder diffraction","","1.5418","CuKα","","","","","","","","","","3.269","","","","","","","has coordinates,has Fobs","299818","2025-05-27","01:55:58",""
"2312855","5.1748","0.0005","5.1748","0.0005","22.112","0.003","90","","90","","90","","592.13","0.11","296.15","","296.15","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C4 H16 Cl4 Mn N2 -","- C4 H6 Cl4 Mn N2 -","- C8 H12 Cl8 Mn2 N4 -","2","0.0625","","Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R.","Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","3","","","10.1107/S2052520625002719","","","0.71073","MoKα","","0.0365","0.0365","","","0.0919","0.0919","","","","","","1.189","","","","has coordinates,has Fobs","299862","2025-05-29","02:17:03",""
"2312856","7.3088","0.0003","7.1675","0.0003","22.1136","0.001","90","","90","","90","","1158.44","0.09","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H16 Cl4 Mn N2 -","- C4 H16 Cl4 Mn N2 -","- C16 H64 Cl16 Mn4 N8 -","4","0.5","","Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R.","Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","3","","","10.1107/S2052520625002719","","","0.71073","MoKα","","0.0305","0.0285","","","0.0749","0.0757","","","","","","1.221","","","","has coordinates,has Fobs","299862","2025-05-29","02:17:05",""
"2312857","10.0173","0.0005","7.4027","0.0004","17.5837","0.0008","90","","90","","90","","1303.92","0.11","296.15","","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H16 Cl4 Co N2 -","- C4 H7 Cl4 Co N2 -","- C16 H28 Cl16 Co4 N8 -","4","0.5","","Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R.","Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","3","","","10.1107/S2052520625002719","","","0.71073","MoKα","","0.0864","0.0619","","","0.1861","0.2077","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","299862","2025-05-29","02:17:11",""
"2312858","9.7066","0.0006","7.6312","0.0005","16.9019","0.0011","90","","90","","90","","1251.97","0.14","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H16 Cl4 Co N2 -","- C4 H16 Cl4 Co N2 -","- C16 H64 Cl16 Co4 N8 -","4","1","","Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R.","Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","3","","","10.1107/S2052520625002719","","","0.71073","MoKα","","0.0251","0.0214","","","0.0414","0.0427","","","","","","1.102","","","","has coordinates,has Fobs","299862","2025-05-29","02:17:13",""
"2312859","32.429","0.002","5.75","0.0003","19.4935","0.0012","90","","105.11","0.006","90","","3509.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-3-<i>tert</i>-Butyl-<i>N</i>-[(2-nitrophenyl)methylidene]-1-phenyl-1<i>H</i>-pyrazol-5-amine","","- C20 H20 N4 O2 -","- C20 H20 N4 O2 -","- C160 H160 N32 O16 -","8","1","DG3073","Cuenú-Cabezas, Fernando; Bernal, Mayra C Diaz; Castaño, Jovanny A Gómez","Synthesis and crystal structure of (E)-3-tert-butyl-N-[(2-nitrophenyl)methylidene]-1-phenyl-1H-pyrazol-5-amine: a coplanar Schiff base with enhanced π-stacking interactions.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625004334","","","0.71073","MoKα","","0.0535","0.0473","","","0.1226","0.1272","","","","","","1.043","","","","has coordinates,has Fobs","299876","2025-05-30","02:03:53",""
"2312860","17.7574","0.0004","12.6802","0.0003","11.138","0.0003","90","","116.471","0.001","90","","2244.98","0.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Amino-4-methoxy-6-methylpyrimidin-1-ium <i>N</i>-methylsulfamate","","- C7 H14 N4 O4 S -","- C7 H14 N4 O4 S -","- C56 H112 N32 O32 S8 -","8","1","EF3064","Balasubramanian, Hemalatha; Vallapandian, Veerapandian; Poomani, Kumaradhas","Structure, intermolecular interactions and charge-density distribution of 2-amino-4-methoxy-6-methylpyrimidine with methylsulfamic acid and 4-hydroxybenzoic acid: a combined experimental and theoretical study.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 5","273","281","10.1107/S2053229625002517","","x-ray","0.71073","MoKα","","0.0452","0.0424","","","0.1376","0.1399","","","","","","1.093","","","","has coordinates,has Fobs","299921","2025-06-03","18:57:40",""
"2312861","14.7425","0.0003","7.4527","0.0002","25.2333","0.0006","90","","90","","90","","2772.42","0.11","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Amino-4-methoxy-6-methylpyrimidin-1-ium 4-hydroxybenzoate","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C104 H120 N24 O32 -","8","1","EF3064","Balasubramanian, Hemalatha; Vallapandian, Veerapandian; Poomani, Kumaradhas","Structure, intermolecular interactions and charge-density distribution of 2-amino-4-methoxy-6-methylpyrimidine with methylsulfamic acid and 4-hydroxybenzoic acid: a combined experimental and theoretical study.","Acta crystallographica. Section C, Structural chemistry","2025","81","Pt 5","273","281","10.1107/S2053229625002517","","x-ray","0.71073","MoKα","","0.0625","0.0541","","","0.152","0.1574","","","","","","1.066","","","","has coordinates,has Fobs","299921","2025-06-03","18:57:42",""
"2312862","14.705","0.003","17.574","0.004","10.029","0.002","90","0.03","90","0.03","90","0.03","2591.8","0.9","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","Poly[[μ-4,4'-bis(2-methyl-1<i>H</i>-imidazol-1-yl)-1,1'-biphenyl-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-5-nitrobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)cobalt(II)]","","- C28 H21 Co N5 O6 -","- C28 H21 Co N5 O6 -","- C112 H84 Co4 N20 O24 -","4","0.5","DG3072","Cheng, Weiwei; Mei, Jie; Jiang, Haijian; Jiang, Weina","A threefold interpenetrated three-dimensional cobalt(II) coordination polymer with highly sensitive sensing for nitrofurazone in aqueous medium.","Acta crystallographica. Section C, Structural chemistry","2025","81","7","","","10.1107/S2053229625004838","","","0.71075","MoKα","","0.049","0.0364","","","0.0822","0.0868","","","","","","0.995","","","","has coordinates,has Fobs","300204","2025-06-26","02:21:49",""
"2312863","5.5791","0.0011","16.794","0.003","10.05","0.002","90","","94.83","0.03","90","","938.3","0.3","163","2","163","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Arginine","L-Arginine","","- C6 H14 N4 O2 -","- C6 H14 N4 O2 -","- C24 H56 N16 O8 -","4","2","YP3243","Khakurel, Krishna P.; Mahmoudi, Sohail","Structure of L-arginine and detection of trace DL-arginine by 3D ED.","Acta crystallographica. Section C, Structural chemistry","2025","81","7","","","10.1107/S2053229625005091","","","0.02508","electron","","0.2073","0.1462","","","0.2805","0.3239","","","","","","0.941","","","","has coordinates","300205","2025-06-26","02:22:29",""
"2312864","11.718","0.002","10.095","0.002","16.294","0.003","90","","90","","90","","1927.5","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","DL-Arginine monohydrate","DL-Arginine monohydrate","","- C6 H16 N4 O3 -","- C6 H16 N4 O3 -","- C48 H128 N32 O24 -","8","1","YP3243","Khakurel, Krishna P.; Mahmoudi, Sohail","Structure of L-arginine and detection of trace DL-arginine by 3D ED.","Acta crystallographica. Section C, Structural chemistry","2025","81","7","","","10.1107/S2053229625005091","","","0.02508","electron","","0.2077","0.1849","","","0.4418","0.4576","","","","","","1.154","","","","has coordinates","300205","2025-06-26","02:22:38",""
"2312865","34.385","0.003","9.6734","0.0009","14.2837","0.0013","90","","96.57","0.002","90","","4719.8","0.7","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis[4-(4-carboxyphenoxy)benzoato-κ<i>O</i>]bis{4-[3-(pyridin-4-yl)-1<i>H</i>-pyrazol-5-yl]pyridine-κ<i>N</i>}cobalt(II)","","- C54 H42 Co N8 O12 -","- C54 H42 Co N8 O12 -","- C216 H168 Co4 N32 O48 -","4","0.5","DG3076","Zhao, Ning; Lian, Zhaoxun","Investigation of the third-order nonlinear optical properties of a cobalt(II) complex constructed from 4,4'-oxydibenzoic acid and 4,4'-(1H-pyrazole-3,5-diyl)dipyridine.","Acta crystallographica. Section C, Structural chemistry","2025","81","7","","","10.1107/S2053229625005133","","","0.71073","MoKα","","0.0693","0.0422","","","0.0904","0.1032","","","","","","1.015","","","","has coordinates,has Fobs","300206","2025-06-26","02:23:11",""
"2312866","19.4293","0.0003","7.5717","0.0001","9.24","0.0001","90","","97.367","0.001","90","","1348.1","0.03","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3-[5-(2-Chlorobenzylidene)-4-oxo-2-thioxothiazolidyn-3-yl]propanoic acid 3-[5-(3-Chlorobenzylidene)-4-oxo-2-thioxothiazolidyn-3-yl]propanoic acid 3-[5-(4-Chlorobenzylidene)-4-oxo-2-thioxothiazolidyn-3-yl]propanoic acid","3-[5-(2-Chlorobenzylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid","","- C13 H10 Cl N O3 S2 -","- C13 H10 Cl N O3 S2 -","- C52 H40 Cl4 N4 O12 S8 -","4","1","JX3094","Tejchman, Waldemar; Zborowski, Krzysztof; Nitek, Wojciech; Żesławska, Ewa","Structural insights into 3-[5-(chlorobenzylidene)rhodanine]propionic acid isomers with antibacterial activity.","Acta crystallographica. Section C, Structural chemistry","2025","81","7","","","10.1107/S2053229625005169","","x-ray","0.71073","MoKα","","0.0427","0.0319","","","0.0689","0.0754","","","","","","1.071","","","","has coordinates,has Fobs","300207","2025-06-26","02:23:55",""
"2312867","7.3358","0.0003","7.5497","0.0004","12.7675","0.0007","89.854","0.004","76.388","0.004","82.433","0.004","680.96","0.06","130","2","130","0.1","","","","","","","","6","P -1","-P 1","2","3-[5-(3-Chlorobenzylidene)-4-oxo-2-thioxothiazolidyn-3-yl]propanoic acid","3-[5-(3-Chlorobenzylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid","","- C13 H10 Cl N O3 S2 -","- C13 H10 Cl N O3 S2 -","- C26 H20 Cl2 N2 O6 S4 -","2","1","JX3094","Tejchman, Waldemar; Zborowski, Krzysztof; Nitek, Wojciech; Żesławska, Ewa","Structural insights into 3-[5-(chlorobenzylidene)rhodanine]propionic acid isomers with antibacterial activity.","Acta crystallographica. Section C, Structural chemistry","2025","81","7","","","10.1107/S2053229625005169","","x-ray","0.71073","MoKα","","0.0515","0.0347","","","0.0708","0.0811","","","","","","1.083","","","","has coordinates,has Fobs","300207","2025-06-26","02:24:02",""
"2312868","4.5789","0.0001","10.8841","0.0003","14.2344","0.0003","80.726","0.002","81.969","0.002","88.636","0.002","693.26","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","3-[5-(3-Chlorobenzylidene)-4-oxo-2-thioxothiazolidyn-3-yl]propanoic acid","3-[5-(3-Chlorobenzylidene)-4-oxo-2-sulfanylidene-1,3-thiazoliden-3-yl]propanoic acid","","- C13 H10 Cl N O3 S2 -","- C13 H10 Cl N O3 S2 -","- C26 H20 Cl2 N2 O6 S4 -","2","1","JX3094","Tejchman, Waldemar; Zborowski, Krzysztof; Nitek, Wojciech; Żesławska, Ewa","Structural insights into 3-[5-(chlorobenzylidene)rhodanine]propionic acid isomers with antibacterial activity.","Acta crystallographica. Section C, Structural chemistry","2025","81","7","","","10.1107/S2053229625005169","","x-ray","1.54184","CuKα","","0.0356","0.0327","","","0.0883","0.0903","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","300207","2025-06-26","02:24:08",""
"2312869","4.9279","0.0002","11.5581","0.0003","12.6761","0.0003","99.893","0.002","98.217","0.002","99.634","0.002","690.19","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","3-[5-(4-Chlorobenzylidene)-4-oxo-2-thioxothiazolidyn-3-yl]propanoic acid","3-[5-(4-Chlorobenzylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid","","- C13 H10 Cl N O3 S2 -","- C13 H10 Cl N O3 S2 -","- C26 H20 Cl2 N2 O6 S4 -","2","1","JX3094","Tejchman, Waldemar; Zborowski, Krzysztof; Nitek, Wojciech; Żesławska, Ewa","Structural insights into 3-[5-(chlorobenzylidene)rhodanine]propionic acid isomers with antibacterial activity.","Acta crystallographica. Section C, Structural chemistry","2025","81","7","","","10.1107/S2053229625005169","","x-ray","1.54184","CuKα","","0.0385","0.0368","","","0.1126","0.1145","","","","","","1.17","","","","has coordinates,has Fobs","300207","2025-06-26","02:24:12",""
"2312870","29.96","0.002","11.7394","0.0005","31.263","0.002","90","","109.849","0.008","90","","10342.3","1.2","293","2","293","2","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","Carbonyl(4,4'-di-<i>tert</i>-butyl-2,2'-bypyridine)hydridobis(triphenylphosphane)ruthenium(II) hexaflurophosphate","","- C55 H55 F6 N2 O P3 Ru -","- C55 H55 F6 N2 O P3 Ru -","- C440 H440 F48 N16 O8 P24 Ru8 -","8","1","DG3074","Wysocki, Waldemar; Karczmarzyk, Zbigniew; Kamecka, Anna","Synthesis and structural characterization of ruthenium(II) hydrido carbonyl triphenylphosphine α-diimine complexes with derivatives of 2,2'-bipyridine.","Acta crystallographica. Section C, Structural chemistry","2025","81","7","","","10.1107/S2053229625004619","","","0.71073","MoKα","","0.1362","0.0835","","","0.1976","0.2338","","","","","","1.067","","","","has coordinates,has Fobs","300208","2025-06-26","02:25:21",""
"2312871","11.527","0.002","12.48","0.003","16.788","0.003","89.77","0.03","84.56","0.03","86.2","0.03","2398.9","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(2,2'-Biquinoline)carbonylhydridobis(triphenylphosphane)ruthenium(II) hexaflurophosphate","","- C55 H43 F6 N2 O P3 Ru -","- C55 H43 F6 N2 O P3 Ru -","- C110 H86 F12 N4 O2 P6 Ru2 -","2","1","DG3074","Wysocki, Waldemar; Karczmarzyk, Zbigniew; Kamecka, Anna","Synthesis and structural characterization of ruthenium(II) hydrido carbonyl triphenylphosphine α-diimine complexes with derivatives of 2,2'-bipyridine.","Acta crystallographica. Section C, Structural chemistry","2025","81","7","","","10.1107/S2053229625004619","","","0.71073","MoKα","","0.0505","0.0365","","","0.0809","0.0869","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","300208","2025-06-26","02:25:22",""
"2312872","11.5376","0.0009","9.8994","0.0008","8.6624","0.0007","90","","115.308","0.003","90","","894.42","0.13","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Methanesulfonato-κ<i>O</i>)(methanesulfonic acid-κ<i>O</i>)rubidium(I)","","- C2 H7 O6 Rb S2 -","- C2 H7 O6 Rb S2 -","- C8 H28 O24 Rb4 S8 -","4","0.5","ZO3066","Gabilondo, Eric; Halasyamani, P. Shiv","Crystal growth of an unusual salt derived from methanesulfonic acid: Rb(CH<sub>3</sub>SO<sub>3</sub>)(CH<sub>3</sub>SO<sub>3</sub>H).","Acta crystallographica. Section C, Structural chemistry","2025","81","7","430","434","10.1107/S205322962500556X","","","0.71073","MoKα","","0.0142","0.014","","","0.0424","0.0425","","","","","","1.161","","","","has coordinates,has disorder,has Fobs","300243","2025-06-27","02:15:31",""
"3000497","7.078","","11.743","","34.698","","90","","91.41","","90","","2883.12","","79","","79","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Cl3 N7 O5 -","- C24 H26 Cl3 N7 O5 -","- C96 H104 Cl12 N28 O20 -","4","1","","Kawamoto, Akihiro; Kojima Chojiro; Kurisu, Genji; Nakane, Takanori; Nakatani Kazuhiko; Sakurabayashi Shuhei","","Journal of the American Chemical Society","2025","","","","","10.1021/jacs.4c17538","","","0.02508","electron","","0.2307","0.2149","","","0.5817","0.5835","","","","","","2.722","","","","has coordinates","299430","2025-04-28","08:37:02",""
"3000546","16.1583","0.0012","9.6926","0.0008","16.6795","0.0013","90","","117.922","0.003","90","","2308.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Ag Cl N8 O5 -","- C18 H26 Ag Cl N8 O5 -","- C72 H104 Ag4 Cl4 N32 O20 -","4","1","","López-Chamorro, Carmen; Pérez-Romero, Antonio; Domínguez-Martín, Alicia; Javornik, Uroš; Palacios, Oscar; Plavec, Janez; Galindo, Miguel A","Silver Binding Dichotomy for 7-Deazaadenine/Thymine: Preference for Watson-Crick Pairing over Homobase Interactions in DNA.","Inorganic chemistry","2025","64","28","14455","14465","10.1021/acs.inorgchem.5c01762","","","0.71073","MoKα","","0.0371","0.0314","","","0.0816","0.0875","","","","","","1.068","","","","has coordinates,has Fobs","301989","2025-09-03","17:33:42",""
"3000547","15.5989","0.0008","9.4363","0.0005","16.2993","0.0008","90","","115.057","0.002","90","","2173.4","0.2","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Ag N9 O3 -","- C18 H24 Ag N9 O3 -","- C72 H96 Ag4 N36 O12 -","4","1","","López-Chamorro, Carmen; Pérez-Romero, Antonio; Domínguez-Martín, Alicia; Javornik, Uroš; Palacios, Oscar; Plavec, Janez; Galindo, Miguel A","Silver Binding Dichotomy for 7-Deazaadenine/Thymine: Preference for Watson-Crick Pairing over Homobase Interactions in DNA.","Inorganic chemistry","2025","64","28","14455","14465","10.1021/acs.inorgchem.5c01762","","","0.71073","MoKα","","0.0821","0.0746","","","0.1849","0.188","","","","","","1.489","","","","has coordinates,has Fobs","301990","2025-09-03","17:40:42",""
"3000548","15.7746","0.001","9.7554","0.0006","16.5821","0.0009","90","","117.686","0.002","90","","2259.6","0.2","105","2","105","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24.6 Ag B F4 N8 O0.3 -","- C18 H24.6 Ag B F4 N8 O0.3 -","- C72 H98.4 Ag4 B4 F16 N32 O1.2 -","4","1","","López-Chamorro, Carmen; Pérez-Romero, Antonio; Domínguez-Martín, Alicia; Javornik, Uroš; Palacios, Oscar; Plavec, Janez; Galindo, Miguel A","Silver Binding Dichotomy for 7-Deazaadenine/Thymine: Preference for Watson-Crick Pairing over Homobase Interactions in DNA.","Inorganic chemistry","2025","64","28","14455","14465","10.1021/acs.inorgchem.5c01762","","","0.71073","MoKα","","0.0252","0.023","","","0.0608","0.063","","","","","","1.066","","","","has coordinates,has Fobs","301991","2025-09-03","17:48:46",""
"3000549","9.7541","0.0004","13.908","0.0006","20.0815","0.0007","81.523","0.001","82.143","0.001","78.681","0.001","2625.72","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H29 Ag F3 N8 O5.5 S -","- C19 H29 Ag F3 N8 O5.5 S -","- C76 H116 Ag4 F12 N32 O22 S4 -","4","2","","López-Chamorro, Carmen; Pérez-Romero, Antonio; Domínguez-Martín, Alicia; Javornik, Uroš; Palacios, Oscar; Plavec, Janez; Galindo, Miguel A","Silver Binding Dichotomy for 7-Deazaadenine/Thymine: Preference for Watson-Crick Pairing over Homobase Interactions in DNA.","Inorganic chemistry","2025","64","28","14455","14465","10.1021/acs.inorgchem.5c01762","","","0.71073","MoKα","","0.0475","0.0454","","","0.1185","0.1205","","","","","","1.162","","","","has coordinates,has Fobs","301992","2025-09-03","18:03:30",""
"3000550","9.2261","0.0004","15.8333","0.0008","18.3459","0.0009","68.714","0.002","79.691","0.002","77.351","0.002","2421.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Ag4 Cl4 N16 O16 -","- C36 H48 Ag4 Cl4 N16 O16 -","- C72 H96 Ag8 Cl8 N32 O32 -","2","1","","López-Chamorro, Carmen; Pérez-Romero, Antonio; Domínguez-Martín, Alicia; Javornik, Uroš; Palacios, Oscar; Plavec, Janez; Galindo, Miguel A","Silver Binding Dichotomy for 7-Deazaadenine/Thymine: Preference for Watson-Crick Pairing over Homobase Interactions in DNA.","Inorganic chemistry","2025","64","28","14455","14465","10.1021/acs.inorgchem.5c01762","","","0.71073","MoKα","","0.0413","0.0322","","","0.0685","0.0764","","","","","","1.189","","","","has coordinates,has disorder,has Fobs","301993","2025-09-03","18:09:29",""
"3000551","15.4163","0.0013","15.4163","0.0013","7.1248","0.0007","90","","90","","120","","1466.4","0.2","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C27 H36 Ag Cl N12 -","- C27 H36 Ag Cl N12 -","- C54 H72 Ag2 Cl2 N24 -","2","0.333333","","López-Chamorro, Carmen; Pérez-Romero, Antonio; Domínguez-Martín, Alicia; Javornik, Uroš; Palacios, Oscar; Plavec, Janez; Galindo, Miguel A.","Silver Binding Dichotomy for 7-Deazaadenine/Thymine: Preference for Watson–Crick Pairing over Homobase Interactions in DNA","Inorganic Chemistry","2025","64","28","14455","14465","10.1021/acs.inorgchem.5c01762","","","0.71073","MoKα","","0.047","0.0378","","","0.0782","0.0825","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","301994","2025-09-03","18:13:27",""
"3000559","6.9875","0.0001","15.1552","0.0003","19.5219","0.0004","78.119","0.002","84.652","0.002","88.58","0.002","2014.18","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.34 H18.5 N4.17 O7.5 -","- C17.337 H18.5055 N4.1685 O7.5 -","- C69.348 H74.022 N16.674 O30 -","4","2","","Gogoi, Diptajyoti; Sasaki, Toshiyuki; Kalita, Nabadeep; Sethi, Tapaswini; Ichiyanagi, Kouhei; Nakane, Takanori; Kawamoto, Akihiro; Das, Dinabandhu; Kurisu, Genji; Thakuria, Ranjit","Tuning of a Hydrogen-Bonded Organic Framework by Liquid-Assisted Mechanosynthesis between Trans-Aconitic Acid and Isonicotinamide","Chemistry A European Journal","2025","31","","e202403427(1)","e202403427(10)","10.1002/chem.202403427","","x-ray","0.812","synchrotron","","0.0694","0.0667","","","0.1886","0.1916","","","","","","1.036","","","","has coordinates,has disorder","299263","2025-04-11","08:37:10",""
"3000560","27.933","","15.206","","7.146","","90","","109.13","","90","","2867.64","","79","","79","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12.29 H11.76 N2.29 O7.18 -","- C12.29 H11.73 N2.29 O7.19 -","- C98.32 H93.84 N18.32 O57.52 -","8","1","","Gogoi, Diptajyoti; Sasaki, Toshiyuki; Kalita, Nabadeep; Sethi, Tapaswini; Ichiyanagi, Kouhei; Nakane, Takanori; Kawamoto, Akihiro; Das, Dinabandhu; Kurisu, Genji; Thakuria, Ranjit","Tuning of a Hydrogen-Bonded Organic Framework by Liquid-Assisted Mechanosynthesis between Trans-Aconitic Acid and Isonicotinamide","Chemistry A European Journal","2025","31","","e202403427(1)","e202403427(10)","10.1002/chem.202403427","","","0.02508","electrons","","0.2584","0.1444","","","0.3735","0.409","","","","","","0.978","","","","has coordinates,has disorder","303248","2025-11-11","13:45:17",""
"3000561","7.003","","15.214","","27.473","","90","","86.94","","90","","2922.9","","79","","79","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13.75 H14 N2 O7 -","- C13.75 H14 N2 O7 -","- C110 H112 N16 O56 -","8","2","","Gogoi, Diptajyoti; Sasaki, Toshiyuki; Kalita, Nabadeep; Sethi, Tapaswini; Ichiyanagi, Kouhei; Nakane, Takanori; Kawamoto, Akihiro; Das, Dinabandhu; Kurisu, Genji; Thakuria, Ranjit","Tuning of a Hydrogen-Bonded Organic Framework by Liquid-Assisted Mechanosynthesis between Trans-Aconitic Acid and Isonicotinamide","Chemistry A European Journal","2025","31","","e202403427(1)","e202403427(10)","10.1002/chem.202403427","","","0.02508","electrons","","0.2627","0.154","","","0.3759","0.3972","","","","","","0.975","","","","has coordinates,has disorder","303248","2025-11-11","13:45:18",""
"3000562","7.507","0.019","11.44","0.03","15.4","0.04","102.48","0.03","101.82","0.03","98.28","0.05","1239","6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H44 N11 O20 -","- C43 H44 N11 O20 -","- C43 H44 N11 O20 -","1","0.5","","Gogoi, Diptajyoti; Sasaki, Toshiyuki; Kalita, Nabadeep; Sethi, Tapaswini; Ichiyanagi, Kouhei; Nakane, Takanori; Kawamoto, Akihiro; Das, Dinabandhu; Kurisu, Genji; Thakuria, Ranjit","Tuning of a Hydrogen-Bonded Organic Framework by Liquid-Assisted Mechanosynthesis between Trans-Aconitic Acid and Isonicotinamide","Chemistry A European Journal","2025","31","","e202403427(1)","e202403427(10)","10.1002/chem.202403427","","","0.71073","MoKα","","0.0926","0.0801","","","0.248","0.2709","","","","","","1.056","","","","has coordinates,has disorder","297458","2025-01-24","06:20:57",""
"3000588","8.4689","0.0003","7.6011","0.0002","12.5302","0.0004","90","","104.401","0.003","90","","781.26","0.04","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O8 -","- C16 H16 O8 -","- C32 H32 O16 -","2","0.5","","Sasaki, Toshiyuki; Nakane, Takanori; Takimoto, Kazuyoshi; Ichiyanagi, Kouhei; Mori, Yuki; Baba, Seiki; Sakai, Naoki; Kurisu, Genji; Miyata, Mikiji; Uno, Takahiro; Itoh, Takahito","Application of multiple small-wedge synchrotron crystallography for post-reaction structural characterization of a stimuli-responsive small-molecule crystal","Bulletin of the Chemical Society of Japan","2025","98","","","","10.1093/bulcsj/uoaf059","","","1.54184","CuKα","","0.0366","0.0352","","","0.0898","0.0907","","","","","","1.159","","","","has coordinates","303223","2025-11-07","08:34:07",""
"3000589","8.7157","0.0005","6.7991","0.0003","12.3904","0.0007","90","","101.692","0.006","90","","719.01","0.07","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O8 -","- C16 H16 O8 -","- C32 H32 O16 -","2","0.5","","Sasaki, Toshiyuki; Nakane, Takanori; Takimoto, Kazuyoshi; Ichiyanagi, Kouhei; Mori, Yuki; Baba, Seiki; Sakai, Naoki; Kurisu, Genji; Miyata, Mikiji; Uno, Takahiro; Itoh, Takahito","Application of multiple small-wedge synchrotron crystallography for post-reaction structural characterization of a stimuli-responsive small-molecule crystal","Bulletin of the Chemical Society of Japan","2025","98","","","","10.1093/bulcsj/uoaf059","","","1.54184","CuKα","","0.0541","0.0477","","","0.1378","0.1472","","","","","","1.077","","","","has coordinates","301392","2025-07-29","04:08:54",""
"3000590","8.7562","0.0016","6.8045","0.001","12.4297","0.0019","90","","101.633","0.015","90","","725.4","0.2","100","2","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O8 -","- C16 H16 O8 -","- C32 H32 O16 -","2","0.5","","Sasaki, Toshiyuki; Nakane, Takanori; Takimoto, Kazuyoshi; Ichiyanagi, Kouhei; Mori, Yuki; Baba, Seiki; Sakai, Naoki; Kurisu, Genji; Miyata, Mikiji; Uno, Takahiro; Itoh, Takahito","Application of multiple small-wedge synchrotron crystallography for post-reaction structural characterization of a stimuli-responsive small-molecule crystal","Bulletin of the Chemical Society of Japan","2025","98","","","","10.1093/bulcsj/uoaf059","","","0.7","synchrotron","","0.0938","0.07","","","0.1805","0.1898","","","","","","0.958","","","","has coordinates","301393","2025-07-29","04:12:01",""
"3000591","6.618","","6.892","","6.98","","76.15","","83.82","","88.42","","307.313","","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- Ca H O4 P -","- Ca H O4 P -","- Ca4 H4 O16 P4 -","4","2","","Sasaki, Toshiyuki; Nakane, Takanori; Takimoto, Kazuyoshi; Ichiyanagi, Kouhei; Mori, Yuki; Baba, Seiki; Sakai, Naoki; Kurisu, Genji; Miyata, Mikiji; Uno, Takahiro; Itoh, Takahito","Application of multiple small-wedge synchrotron crystallography for post-reaction structural characterization of a stimuli-responsive small-molecule crystal","Bulletin of the Chemical Society of Japan","2025","98","","","","10.1093/bulcsj/uoaf059","","","0.7","synchrotron","","0.0586","0.0471","","","0.1077","0.1115","","","","","","0.989","","","","has coordinates","301394","2025-07-29","04:17:39",""
"3000604","3.674","0.0006","22.23","0.002","8.0598","0.0008","90","","99.801","0.015","90","","648.66","0.14","79","","79","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 O4 -","- C7 H6 O4 -","- C28 H24 O16 -","4","1","","Bania, Ankur; Gogoi, Diptajyoti; Kalita, Nabadeep; Nakane, Takanori; Kawamoto, Akihiro; Althubeiti, Khaled; Sasaki, Toshiyuki; Kurisu, Genji; Thakuria, Ranjit","Beyond serendipity: uncovering novel ratiometric urea-24DHBA cocrystals through mechanochemistry and MicroED","Chemical Communications","2025","61","","16198","16201","10.1039/D5CC03628C","","electron","0.02508","electron","","0.2006","","","","0.4061","","","","","","","1.167","","","","has coordinates","303466","2025-11-28","01:32:41",""
"3000605","7.2558","0.001","8.8651","0.0016","10.86","0.002","74.412","0.015","75.956","0.014","71.464","0.014","628.4","0.2","79","","79","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H14 N4 O6 -","- C9 H14 N4 O6 -","- C18 H28 N8 O12 -","2","1","","Bania, Ankur; Gogoi, Diptajyoti; Kalita, Nabadeep; Nakane, Takanori; Kawamoto, Akihiro; Althubeiti, Khaled; Sasaki, Toshiyuki; Kurisu, Genji; Thakuria, Ranjit","Beyond serendipity: uncovering novel ratiometric urea-24DHBA cocrystals through mechanochemistry and MicroED","Chemical Communications","2025","61","","16198","16201","10.1039/D5CC03628C","","electron","0.02508","electron","","0.1927","","","","0.4008","","","","","","","1.141","","","","has coordinates","303469","2025-11-28","01:58:50",""
"3000606","6.9711","0.0015","11.059","0.003","31.307","0.007","90","","91.7","0.02","90","","2412.5","1","79","","79","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 O5 -","- C8 H10 N2 O5 -","- C64 H80 N16 O40 -","8","2","","Bania, Ankur; Gogoi, Diptajyoti; Kalita, Nabadeep; Nakane, Takanori; Kawamoto, Akihiro; Althubeiti, Khaled; Sasaki, Toshiyuki; Kurisu, Genji; Thakuria, Ranjit","Beyond serendipity: uncovering novel ratiometric urea-24DHBA cocrystals through mechanochemistry and MicroED","Chemical Communications","2025","61","","16198","16201","10.1039/D5CC03628C","","electron","0.02508","electron","","0.2208","","","","0.4599","","","","","","","1.643","","","","has coordinates","303470","2025-11-28","02:01:22",""
"3000611","20.1966","0.0016","20.1966","0.0016","7.8912","0.0006","90","","90","","90","","3218.8","0.4","293","2","293","2","","","","","","","","2","I -4 2 d","I -4 2bw","122","Water","Oxidane","","- H2 O -","- O -","- O152 -","152","9.5","","Lee, Yun-Hee; Kim, Jin Kyun; Kim, Yong-Jae; Kim, Minju; Cho, Yong Chan; Husband, Rachel J.; Strohm, Cornelius; Ehrenreich-Petersen, Emma; Glazyrin, Konstantin; Laurus, Torsten; Graafsma, Heinz; Bauer, Robert P. C.; Lehmkühler, Felix; Appel, Karen; Konôpková, Zuzana; Tang, Minxue; Dwivedi, Anand Prashant; Sztuck-Dambietz, Jolanta; Randolph, Lisa; Buakor, Khachiwan; Humphries, Oliver; Baehtz, Carsten; Eklund, Tobias; Mohrbach, Lisa Katharina; Mondal, Anshuman; Marquardt, Hauke; O Bannon, Earl Francis; Amann-Winkel, Katrin; Yoo, Choong-Shik; Zastrau, Ulf; Liermann, Hanns-Peter; Nada, Hiroki; Lee, Geun Woo","Multiple freezing–melting pathways of high-density ice through ice XXI phase at room temperature","Nature Materials","2025","","","1","","10.1038/s41563-025-02364-x","","x-ray","0.2896","synchrotron","","0.1275","0.0941","","","0.2678","0.3422","","","","","","1.328","","","","has coordinates","302846","2025-10-14","02:32:36",""
"3500140","5.54286","0.00005","16.68093","0.00014","18.66742","0.00015","90","","90.6389","0.0004","90","","1725.88","0.03","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","","Titanyl sulfate di-hydrate","","- H4 O7 S Ti -","- H4 O7 S Ti -","- H48 O84 S12 Ti12 -","12","6","","Armel Le Bail","","Personal communication to COD","2025","","","","","","powder diffraction","x-ray","0.825912","synchrotron","","","","","","","","","3.698","","","","","","","","has coordinates","299724","2025-05-19","12:17:34",""
"3500141","7.3324","0.0003","3.7048","0.0001","12.0905","0.0005","90","","98.447","0.002","90","","324.88","0.02","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[1,3]Oxazolo[5,4-f][1,3]benzoxazole","","- C8 H4 N2 O2 -","- C8 H4 N2 O2 -","- C16 H8 N4 O4 -","2","0.5","","Thierry Maris","[1,3]Oxazolo[5,4-f][1,3]benzoxazole - Non Spherical Structure Refinement","Personal communication to COD","2025","","","","","","","x-ray","1.54178","CuKα","","0.0196","0.0194","","","0.0463","0.0465","","","","","","1.1655","","","","has coordinates","299877","2025-05-30","17:30:48",""
"3500142","14.6427","0.0013","4.5086","0.0004","18.7214","0.0017","90","","108.015","0.004","90","","1175.36","0.18","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Potassium Dihydrogen Phosphate","","","- H2 K O4 P -","- H2 K O4 P -","- H24 K12 O48 P12 -","12","3","","Thierry Maris","Potassium Dihydrogen Phosphate - Monoclinic Form at 150 K / Ambient Pressure","Personal communication to COD","2025","","","","","","","x-ray","1.34139","GaKα","","0.0241","0.0207","","","0.0534","0.0555","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","299903","2025-06-02","15:27:17",""
"3500143","6.4672","0.0002","12.4472","0.0003","18.144","0.0005","73.91","0.002","82.725","0.002","87.889","0.002","1392.05","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","Ribociclib Succinate","7-cyclopentyl-N, N-dimethyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrrolo [2,3-d]pyrimidine-6-carboxamide butanedioic acid","","- C27 H36 N8 O5 -","- C27 H36 N8 O5 -","- C54 H72 N16 O10 -","2","1","","Thierry Maris","Ribociclib Succinate","Personal communication to COD","2025","","","","","","","x-ray","1.34139","GaKα","","0.048","0.0396","","","0.102","0.1085","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","301995","2025-09-03","20:22:21",""
"3500144","11.3592","0.0005","11.591","0.0005","13.1152","0.0005","69.843","0.002","75.895","0.003","67.235","0.003","1482.57","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","Osimertinib Mesylate Form B","N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy -5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop -2-enamide methanesulfonate","","- C29 H37 N7 O5 S -","- C29 H37 N7 O5 S -","- C58 H74 N14 O10 S2 -","2","1","","Thierry Maris","Osimertinib Mesylate Form B at 150 K","Personal communication to COD","2025","","","","","","","x-ray","1.34139","GaKα","","0.0587","0.0466","","","0.1174","0.126","","","","","","1.061","","","","has coordinates,has Fobs","303249","2025-11-11","17:57:53",""
"3500145","11.4283","0.0004","11.7251","0.0004","13.3148","0.0005","69.061","0.002","74.651","0.002","66.451","0.002","1511.99","0.1","285","","285","","","","","","","","","5","P -1","-P 1","2","Osimertinib Mesylate Form B","N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy -5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop -2-enamide methanesulfonate","","- C29 H37 N7 O5 S -","- C29 H37 N7 O5 S -","- C58 H74 N14 O10 S2 -","2","1","","Thierry Maris","Osimertinib Mesylate Form B at 285 K","Personal communication to COD","2025","","","","","","","x-ray","1.34139","GaKα","","0.0568","0.0473","","","0.1294","0.1371","","","","","","1.051","","","","has coordinates,has Fobs","303250","2025-11-11","17:58:09",""
"3500146","5.9134","0.0007","5.9134","0.0007","5.9134","0.0007","90","","90","","90","","206.78","0.04","297","","297","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Br Na -","- Br Na -","- Br4 Na4 -","4","0.0208333","","Yan-Cong Chen","","Personal communication to COD","2025","","","","","","","x-ray","0.71073","MoKα","","0.0262","0.0262","","","0.0479","0.0479","","","","","","1.315","","","","has coordinates","303311","2025-11-16","15:14:49",""
"4519493","8.1173","0.0005","11.7709","0.0008","19.8307","0.0014","78.292","0.004","84.56","0.004","89.333","0.004","1846.9","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","Riluzole","6-(trifluoromethoxy)-1,3-benzothiazol-2-amine","","- C8 H5 F3 N2 O S -","- C8 H5 F3 N2 O S -","- C64 H40 F24 N16 O8 S8 -","8","4","","Rahman Al Ahmad, Abdel; Maris, Thierry; Wuest, James D.","Hiding in Plain Sight: Polymorphs of Riluzole","Crystal Growth & Design","2025","25","","3029","3036","10.1021/acs.cgd.5c00089","","x-ray","1.34139","GaKα","","0.0797","0.0615","","","0.1437","0.1522","","","","","","1.1","","","","has coordinates,has Fobs","299738","2025-05-20","14:43:13",""
"4519494","19.2771","0.001","8.1248","0.0004","11.7665","0.0006","90","","101.502","0.003","90","","1805.89","0.16","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Riluzole","6-(trifluoromethoxy)-1,3-benzothiazol-2-amine","","- C8 H5 F3 N2 O S -","- C8 H5 F3 N2 O S -","- C64 H40 F24 N16 O8 S8 -","8","2","","Rahman Al Ahmad, Abdel; Maris, Thierry; Wuest, James D.","Hiding in Plain Sight: Polymorphs of Riluzole","Crystal Growth & Design","2025","25","","3029","3036","10.1021/acs.cgd.5c00089","","x-ray","1.34139","GaKα","","0.0813","0.0547","","","0.1414","0.1586","","","","","","1.049","","","","has coordinates,has Fobs","299739","2025-05-20","14:43:26",""
"4519495","19.3767","0.0012","8.1785","0.0005","11.7473","0.0008","90","","94.963","0.004","90","","1854.6","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Riluzole","6-(trifluoromethoxy)-1,3-benzothiazol-2-amine","","- C8 H5 F3 N2 O S -","- C8 H5 F3 N2 O S -","- C64 H40 F24 N16 O8 S8 -","8","2","","Rahman Al Ahmad, Abdel; Maris, Thierry; Wuest, James D.","Hiding in Plain Sight: Polymorphs of Riluzole","Crystal Growth & Design","2025","25","","3029","3036","10.1021/acs.cgd.5c00089","","x-ray","1.34139","GaKα","","0.1054","0.0765","","","0.2097","0.2274","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","299740","2025-05-20","14:43:36",""
"4519496","19.718","0.002","8.2539","0.0008","11.9058","0.0011","90","","94.827","0.006","90","","1930.8","0.3","290","","290","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Riluzole","6-(trifluoromethoxy)-1,3-benzothiazol-2-amine","","- C8 H5 F3 N2 O S -","- C8 H5 F3 N2 O S -","- C64 H40 F24 N16 O8 S8 -","8","2","","Rahman Al Ahmad, Abdel; Maris, Thierry; Wuest, James D.","Hiding in Plain Sight: Polymorphs of Riluzole","Crystal Growth & Design","2025","25","","3029","3036","10.1021/acs.cgd.5c00089","","x-ray","1.34139","GaKα","","0.1229","0.0926","","","0.2763","0.3146","","","","","","1.213","","","","has coordinates,has disorder,has Fobs","299741","2025-05-20","14:43:46",""
"4519497","8.2283","0.0009","11.9364","0.0012","20.077","0.002","78.167","0.006","85.378","0.006","89.544","0.007","1923.6","0.3","295","","295","","","","","","","","","6","P -1","-P 1","2","Riluzole","6-(trifluoromethoxy)-1,3-benzothiazol-2-amine","","- C8 H5 F3 N2 O S -","- C8 H5 F3 N2 O S -","- C64 H40 F24 N16 O8 S8 -","8","4","","Rahman Al Ahmad, Abdel; Maris, Thierry; Wuest, James D.","Hiding in Plain Sight: Polymorphs of Riluzole","Crystal Growth & Design","2025","25","","3029","3036","10.1021/acs.cgd.5c00089","","x-ray","1.34139","GaKα","","0.1519","0.0762","","","0.2154","0.2687","","","","","","1.026","","","","has coordinates,has Fobs","299742","2025-05-20","14:45:48",""
"4519498","18.0784","0.0006","4.0461","0.0001","11.4161","0.0004","90","","93.845","0.002","90","","833.17","0.05","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-(fluoromethoxy)-1,3-benzothiazol-2-amine","","- C8 H7 F N2 O S -","- C8 H7 F N2 O S -","- C32 H28 F4 N8 O4 S4 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; James D. Wuest","ArOCF3, ArOCHF2, ArOCH2F, and ArOCH3: What the F Does to Control the Crystallization of Riluzole and Analogous Fluoromethyl Ethers","Crystal growth & Design","2025","25","","6408","6420","10.1021/acs.cgd.5c00831","","x-ray","1.34139","GaKα","","0.0458","0.0427","","","0.1137","0.1158","","","","","","1.094","","","","has coordinates,has Fobs","302005","2025-09-04","14:43:46",""
"4519499","15.1046","0.0006","6.7053","0.0002","16.6877","0.0006","90","","90","","90","","1690.14","0.1","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-methoxy-1,3-benzothiazol-2-amine","","- C8 H8 N2 O S -","- C8 H8 N2 O S -","- C64 H64 N16 O8 S8 -","8","1","","Abdel Rahman Al Ahmad; Thierry Maris; James D. Wuest","ArOCF3, ArOCHF2, ArOCH2F, and ArOCH3: What the F Does to Control the Crystallization of Riluzole and Analogous Fluoromethyl Ethers","Crystal growth & Design","2025","25","","6408","6420","10.1021/acs.cgd.5c00831","","x-ray","1.34139","GaKα","","0.0439","0.0407","","","0.1161","0.1185","","","","","","1.139","","","","has coordinates,has Fobs","302006","2025-09-04","14:43:59",""
"4519500","19.0364","0.0008","8.0701","0.0003","11.8481","0.0005","90","","100.16","0.002","90","","1791.63","0.13","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-(difluoromethoxy)-1,3-benzothiazol-2-amine : 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine 0.64:0.36'","","- C8 H5.64 F2.36 N2 O S -","- C8 H5.6435 F2.3565 N2 O S -","- C64 H45.148 F18.852 N16 O8 S8 -","8","2","","Abdel Rahman Al Ahmad; Thierry Maris; James D. Wuest","ArOCF3, ArOCHF2, ArOCH2F, and ArOCH3: What the F Does to Control the Crystallization of Riluzole and Analogous Fluoromethyl Ethers","Crystal growth & Design","2025","25","","6408","6420","10.1021/acs.cgd.5c00831","","x-ray","1.34139","GaKα","","0.0486","0.048","","","0.138","0.1385","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","302009","2025-09-04","14:44:20",""
"4519501","18.1007","0.0009","4.0084","0.0002","11.4184","0.0006","90","","94.322","0.002","90","","826.1","0.07","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-methoxy-1,3-benzothiazol-2-amine : 6-(fluoromethoxy)-1,3-benzothiazol-2-amine 0.53:0.47","","- C8 H7.53 F0.47 N2 O S -","- C8 H7.533 F0.467 N2 O S -","- C32 H30.132 F1.868 N8 O4 S4 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; James D. Wuest","ArOCF3, ArOCHF2, ArOCH2F, and ArOCH3: What the F Does to Control the Crystallization of Riluzole and Analogous Fluoromethyl Ethers","Crystal growth & Design","2025","25","","6408","6420","10.1021/acs.cgd.5c00831","","x-ray","1.34139","GaKα","","0.0367","0.036","","","0.1007","0.1014","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","302010","2025-09-04","14:44:30",""
"4519502","18.3651","0.0011","4.0703","0.0002","11.4599","0.0006","90","","93.014","0.003","90","","855.46","0.08","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-methoxy-1,3-benzothiazol-2-amine : 6-(difluoromethoxy)-1,3-benzothiazol-2-amine 0.56:0.44","","- C8 H7.12 F0.88 N2 O S -","- C8 H7.12 F0.88 N2 O S -","- C32 H28.48 F3.52 N8 O4 S4 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; James D. Wuest","ArOCF3, ArOCHF2, ArOCH2F, and ArOCH3: What the F Does to Control the Crystallization of Riluzole and Analogous Fluoromethyl Ethers","Crystal growth & Design","2025","25","","6408","6420","10.1021/acs.cgd.5c00831","","x-ray","1.34139","GaKα","","0.0667","0.0619","","","0.1794","0.1853","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","302011","2025-09-04","14:44:41",""
"4519503","18.4448","0.0004","7.9586","0.0002","11.9812","0.0003","90","","102.43","0.0009","90","","1717.55","0.07","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6.61 F1.39 N2 O S -","- C8 H6.608 F1.392 N2 O S -","- C64 H52.864 F11.136 N16 O8 S8 -","8","2","","Abdel Rahman Al Ahmad; Thierry Maris; James D. Wuest","ArOCF3, ArOCHF2, ArOCH2F, and ArOCH3: What the F Does to Control the Crystallization of Riluzole and Analogous Fluoromethyl Ethers","Crystal growth & Design","2025","25","","6408","6420","10.1021/acs.cgd.5c00831","","x-ray","1.34139","GaKα","","0.057","0.0554","","","0.1642","0.1693","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","302012","2025-09-04","14:45:03",""
"4519504","11.3565","0.0004","8.0773","0.0003","38.0249","0.0014","90","","90","","90","","3488","0.2","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","6-(trifluoromethoxy)-1,3-benzothiazol-2-amine : 6-methoxy-1,3-benzothiazol-2-amine 0.55 : 0.45","","- C8 H6.34 F1.66 N2 O S -","- C8 H6.3365 F1.6635 N2 O S -","- C128 H101.384 F26.616 N32 O16 S16 -","16","2","","Abdel Rahman Al Ahmad; Thierry Maris; James D. Wuest","ArOCF3, ArOCHF2, ArOCH2F, and ArOCH3: What the F Does to Control the Crystallization of Riluzole and Analogous Fluoromethyl Ethers","Crystal growth & Design","2025","25","","6408","6420","10.1021/acs.cgd.5c00831","","x-ray","1.34139","GaKα","","0.0393","0.0365","","","0.1009","0.103","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","302013","2025-09-04","14:45:14",""
"4519505","18.3022","0.0007","4.0961","0.0002","11.4591","0.0005","90","","93.236","0.003","90","","857.69","0.07","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-(fluoromethoxy)-1,3-benzothiazol-2-amine : 6-(difluoromethoxy)-1,3-benzothiazol-2-amine 0.62 : 0.38","","- C8 H6.61 F1.39 N2 O S -","- C8 H6.612 F1.388 N2 O S -","- C32 H26.448 F5.552 N8 O4 S4 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; James D. Wuest","ArOCF3, ArOCHF2, ArOCH2F, and ArOCH3: What the F Does to Control the Crystallization of Riluzole and Analogous Fluoromethyl Ethers","Crystal growth & Design","2025","25","","6408","6420","10.1021/acs.cgd.5c00831","","x-ray","1.34139","GaKα","","0.0683","0.0586","","","0.1786","0.192","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","302014","2025-09-04","14:45:25",""
"4519506","8.1469","0.0006","11.7184","0.0008","18.8238","0.0014","77.548","0.004","85.249","0.005","89.677","0.004","1748.6","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","6-(difluoromethoxy)-1,3-benzothiazol-2-amine","","- C8 H6 F2 N2 O S -","- C8 H6 F2 N2 O S -","- C64 H48 F16 N16 O8 S8 -","8","4","","Abdel Rahman Al Ahmad; Thierry Maris; James D. Wuest","ArOCF3, ArOCHF2, ArOCH2F, and ArOCH3: What the F Does to Control the Crystallization of Riluzole and Analogous Fluoromethyl Ethers","Crystal growth & Design","2025","25","","6408","6420","10.1021/acs.cgd.5c00831","","x-ray","1.34139","GaKα","","0.1111","0.0879","","","0.2555","0.2826","","","","","","1.077","","","","has coordinates,has Fobs","302015","2025-09-04","15:02:06",""
"4519507","18.7483","0.001","7.9725","0.0004","11.9698","0.0006","90","","101.366","0.003","90","","1754.05","0.16","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-(difluoromethoxy)-1,3-benzothiazol-2-amine","","- C8 H6 F2 N2 O S -","- C8 H6 F2 N2 O S -","- C64 H48 F16 N16 O8 S8 -","8","2","","Abdel Rahman Al Ahmad; Thierry Maris; James D. Wuest","ArOCF3, ArOCHF2, ArOCH2F, and ArOCH3: What the F Does to Control the Crystallization of Riluzole and Analogous Fluoromethyl Ethers","Crystal growth & Design","2025","25","","6408","6420","10.1021/acs.cgd.5c00831","","x-ray","1.34139","GaKα","","0.0771","0.0745","","","0.2136","0.2153","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","302016","2025-09-04","15:02:53",""
"4519508","18.269","0.003","4.0563","0.0007","11.5914","0.0018","90","","92.806","0.013","90","","857.9","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-methoxy-1,3-benzothiazol-2-amine : 6-(difluoromethoxy)-1,3-benzothiazol-2-amine 0.68 : 0.32","","- C8 H7.37 F0.63 N2 O S -","- C8 H7.356 F0.644 N2 O S -","- C32 H29.424 F2.576 N8 O4 S4 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; James D. Wuest","ArOCF3, ArOCHF2, ArOCH2F, and ArOCH3: What the F Does to Control the Crystallization of Riluzole and Analogous Fluoromethyl Ethers","Crystal growth & Design","2025","25","","6408","6420","10.1021/acs.cgd.5c00831","","x-ray","1.34139","GaKα","","0.1367","0.1052","","","0.2596","0.2729","","","","","","1.611","","","","has coordinates,has disorder,has Fobs","302017","2025-09-04","15:03:49",""
"4519509","6.7386","0.0004","3.8106","0.0002","31.6319","0.0019","90","","90.537","0.004","90","","812.21","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","p-Chloro-trans-cinnamic acid","3-(4-chlorophenyl)prop-2-enoic acid","","- C9 H7 Cl O2 -","- C9 H7 Cl O2 -","- C36 H28 Cl4 O8 -","4","1","","Aaron Gabriel Numez Avila; Thierry Maris; James D. Wuest","A Workplan for Using Heteroseeded Crystallizations to Produce New Polymorphs, as Illustrated by a Study of Cinnamic Acids","Crystal Growth & Design","2025","25","","6370","6381","10.1021/acs.cgd.5c00774","","x-ray","1.34139","GaKα","","0.0616","0.0572","","","0.1446","0.1477","","","","","","1.107","","","","has coordinates,has disorder,has Fobs","302018","2025-09-04","16:24:17",""
"4519510","5.9841","0.0002","4.914","0.0001","27.9813","0.0007","90","","91.024","0.001","90","","822.68","0.04","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","alpha-p-Methyl-trans-cinnamic acid","3-(4-methylphenyl)prop-2-enoic acid","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","1","","Aaron Gabriel Numez Avila; Thierry Maris; James D. Wuest","A Workplan for Using Heteroseeded Crystallizations to Produce New Polymorphs, as Illustrated by a Study of Cinnamic Acids","Crystal Growth & Design","2025","25","","6370","6381","10.1021/acs.cgd.5c00774","","x-ray","1.34139","GaKα","","0.0477","0.046","","","0.1389","0.1408","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","302019","2025-09-04","16:24:53",""
"4519511","3.8274","0.0001","7.5328","0.0002","14.9381","0.0004","103.086","0.001","93.763","0.001","100.454","0.001","409.965","0.019","100","","100","","","","","","","","","4","P -1","-P 1","2","4-bromocinnamic acid","3-(4-bromophenyl)prop-2-enoic acid","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C18 H14 Br2 O4 -","2","1","","Aaron Gabriel Numez Avila; Thierry Maris; James D. Wuest","A Workplan for Using Heteroseeded Crystallizations to Produce New Polymorphs, as Illustrated by a Study of Cinnamic Acids","Crystal Growth & Design","2025","25","","6370","6381","10.1021/acs.cgd.5c00774","","x-ray","1.54178","CuKα","","0.042","0.042","","","0.1252","0.1252","","","","","","1.178","","","","has coordinates,has disorder,has Fobs","302020","2025-09-04","16:25:06",""
"4519512","7.7865","0.0007","10.1371","0.0011","17.221","0.0017","79.155","0.006","82.369","0.005","81.379","0.006","1312.3","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","4-Iodo-trans-cinnamic acid","3-(4-iodophenyl)prop-2-enoic acid","","- C9 H7 I O2 -","- C9 H7 I O2 -","- C54 H42 I6 O12 -","6","3","","Aaron Gabriel Numez Avila; Thierry Maris; James D. Wuest","A Workplan for Using Heteroseeded Crystallizations to Produce New Polymorphs, as Illustrated by a Study of Cinnamic Acids","Crystal Growth & Design","2025","25","","6370","6381","10.1021/acs.cgd.5c00774","","x-ray","1.34139","GaKα","","0.0852","0.0618","","","0.1591","0.1811","","","","","","1.025","","","","has coordinates,has Fobs","302021","2025-09-04","16:25:36",""
"4519513","4.0202","0.0001","7.6998","0.0003","28.8401","0.0012","83.82","0.002","87.96","0.002","86.382","0.002","885.41","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","4-Iodo-trans-cinnamic acid","3-(4-iodophenyl)prop-2-enoic acid","","- C9 H7 I O2 -","- C9 H7 I O2 -","- C36 H28 I4 O8 -","4","2","","Aaron Gabriel Numez Avila; Thierry Maris; James D. Wuest","A Workplan for Using Heteroseeded Crystallizations to Produce New Polymorphs, as Illustrated by a Study of Cinnamic Acids","Crystal Growth & Design","2025","25","","6370","6381","10.1021/acs.cgd.5c00774","","x-ray","1.34139","GaKα","","0.0406","0.0338","","","0.0842","0.0896","","","","","","1.049","","","","has coordinates,has Fobs","302022","2025-09-04","16:25:52",""
"4519514","7.7325","0.0011","4.0785","0.0006","29.139","0.005","90","","96.571","0.011","90","","912.9","0.2","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-Iodo-trans-cinnamic acid","3-(4-iodophenyl)prop-2-enoic acid","","- C9 H7 I O2 -","- C9 H7 I O2 -","- C36 H28 I4 O8 -","4","1","","Aaron Gabriel Numez Avila; Thierry Maris; James D. Wuest","A Workplan for Using Heteroseeded Crystallizations to Produce New Polymorphs, as Illustrated by a Study of Cinnamic Acids","Crystal Growth & Design","2025","25","","6370","6381","10.1021/acs.cgd.5c00774","","x-ray","1.34139","GaKα","","0.055","0.0404","","","0.1081","0.1177","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","302023","2025-09-04","16:26:02",""
"7063510","27.1448","0.0013","9.4225","0.0004","27.3977","0.0012","90","","92.154","0.002","90","","7002.6","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 Cl3 Ni O4 P2 -","- C32 H41 Cl3 Ni O4 P2 -","- C256 H328 Cl24 Ni8 O32 P16 -","8","2","","López-Robledo, Luis E.; Ortiz-Fuentes, Evelin E.; Rufino-Felipe, Ernesto; Serrano-García, Juan S.; Arenaza-Corona, Antonino; Hernandez-Ortega, Simón; Valdés, Hugo; Gonzalez-Sebastian, Lucero; Reyes-Márquez, Viviana; Morales-Morales, David","Naphthyl and biphenyl para-substituted POCOP-Ni(ii) pincer complexes as efficient catalysts in C–S cross-coupling reactions","New Journal of Chemistry","2025","49","9","3426","3435","10.1039/D4NJ03776F","","","0.71073","MoKα","","0.0701","0.0591","","","0.1273","0.1326","","","","","","1.164","","","","has coordinates","299036","2025-04-05","03:50:51",""
"7063511","9.136","0.0004","29.4452","0.0016","12.7283","0.0007","90","","94.484","0.002","90","","3413.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H29 Cl Ni O4 P2 -","- C41 H29 Cl Ni O4 P2 -","- C164 H116 Cl4 Ni4 O16 P8 -","4","1","","López-Robledo, Luis E.; Ortiz-Fuentes, Evelin E.; Rufino-Felipe, Ernesto; Serrano-García, Juan S.; Arenaza-Corona, Antonino; Hernandez-Ortega, Simón; Valdés, Hugo; Gonzalez-Sebastian, Lucero; Reyes-Márquez, Viviana; Morales-Morales, David","Naphthyl and biphenyl para-substituted POCOP-Ni(ii) pincer complexes as efficient catalysts in C–S cross-coupling reactions","New Journal of Chemistry","2025","49","9","3426","3435","10.1039/D4NJ03776F","","","0.71073","MoKα","","0.0561","0.0436","","","0.0883","0.0948","","","","","","1.116","","","","has coordinates","299036","2025-04-05","03:50:51",""
"7063512","8.0438","0.0002","28.5592","0.001","16.4261","0.0005","90","","102.766","0.001","90","","3680.2","0.19","199","2","199","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H98 Cl2 Ni2 O8 P4 -","- C73 H98 Cl2 Ni2 O8 P4 -","- C146 H196 Cl4 Ni4 O16 P8 -","2","0.5","","López-Robledo, Luis E.; Ortiz-Fuentes, Evelin E.; Rufino-Felipe, Ernesto; Serrano-García, Juan S.; Arenaza-Corona, Antonino; Hernandez-Ortega, Simón; Valdés, Hugo; Gonzalez-Sebastian, Lucero; Reyes-Márquez, Viviana; Morales-Morales, David","Naphthyl and biphenyl para-substituted POCOP-Ni(ii) pincer complexes as efficient catalysts in C–S cross-coupling reactions","New Journal of Chemistry","2025","49","9","3426","3435","10.1039/D4NJ03776F","","","0.71073","MoKα","","0.0768","0.0502","","","0.0971","0.1089","","","","","","1.068","","","","has coordinates,has disorder","299036","2025-04-05","03:50:51",""
"7063530","13.8856","0.0003","15.5863","0.0004","12.3909","0.0003","90","","92.948","0.002","90","","2678.15","0.11","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[5-(4-chlorophenyl)-3-hydroxy-4-methylthiazole-2(3H)-thionolato]zinc(II)","","- C25 H19 Cl2 N3 O2 S4 Zn -","- C25 H19 Cl2 N3 O2 S4 Zn -","- C100 H76 Cl8 N12 O8 S16 Zn4 -","4","1","","Saito, Ryota; Naito, Yuki; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kikkawa, Shoko; Ju, Huiyeong; Ohba, Rintaro; Miyamoto, Tae; Sano, Shogo; Maeda, Kazuya; Tamura, Mako; Azumaya, Isao","Synthesis, crystal structure, and insulin-mimetic activity of zinc(ii) complexes with 4-alkyl- and 4,5-dialkyl-3-hydroxythiazole-2(3H)-thiones as a new class of hypoglycemic agent candidates","New Journal of Chemistry","2025","49","4","1145","1158","10.1039/D4NJ04035J","","","0.71073","MoKα","","0.0442","0.0317","","","0.0662","0.0696","","","","","","1.027","","","","has coordinates","299008","2025-04-05","03:43:18",""
"7063531","11.6997","0.0005","7.5824","0.0003","17.0546","0.0007","90","","108.729","0.0006","90","","1432.83","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[3-hydroxy-4,5-dimethyl-2-thioxo-3-thiazololato]zinc(II)","","- C10 H12 N2 O2 S4 Zn -","- C10 H12 N2 O2 S4 Zn -","- C40 H48 N8 O8 S16 Zn4 -","4","1","","Saito, Ryota; Naito, Yuki; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kikkawa, Shoko; Ju, Huiyeong; Ohba, Rintaro; Miyamoto, Tae; Sano, Shogo; Maeda, Kazuya; Tamura, Mako; Azumaya, Isao","Synthesis, crystal structure, and insulin-mimetic activity of zinc(ii) complexes with 4-alkyl- and 4,5-dialkyl-3-hydroxythiazole-2(3H)-thiones as a new class of hypoglycemic agent candidates","New Journal of Chemistry","2025","49","4","1145","1158","10.1039/D4NJ04035J","","","0.71073","MoKα","","0.0312","0.0299","","","0.0855","0.0865","","","","","","1.045","","","","has coordinates","299008","2025-04-05","03:43:19",""
"7063532","7.5733","0.0016","8.7066","0.0019","13.442","0.003","78.741","0.002","74.963","0.002","88.673","0.003","839.2","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis[4-ethyl-3-hydroxy-5-methylthiazole-2(3H)-thionolato]zinc(II)","","- C12 H16 N2 O2 S4 Zn -","- C12 H16 N2 O2 S4 Zn -","- C24 H32 N4 O4 S8 Zn2 -","2","1","","Saito, Ryota; Naito, Yuki; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kikkawa, Shoko; Ju, Huiyeong; Ohba, Rintaro; Miyamoto, Tae; Sano, Shogo; Maeda, Kazuya; Tamura, Mako; Azumaya, Isao","Synthesis, crystal structure, and insulin-mimetic activity of zinc(ii) complexes with 4-alkyl- and 4,5-dialkyl-3-hydroxythiazole-2(3H)-thiones as a new class of hypoglycemic agent candidates","New Journal of Chemistry","2025","49","4","1145","1158","10.1039/D4NJ04035J","","","0.71073","MoKα","","0.0609","0.0376","","","0.0844","0.0963","","","","","","1.006","","","","has coordinates","299008","2025-04-05","03:43:19",""
"7063533","8.6523","0.0003","21.5296","0.0008","10.1015","0.0004","90","","103.203","0.0006","90","","1831.97","0.12","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[4-(tert-butyl)-3-hydroxythiazole-2(3H)-thionolato]zinc(II)","","- C14 H20 N2 O2 S4 Zn -","- C14 H20 N2 O2 S4 Zn -","- C56 H80 N8 O8 S16 Zn4 -","4","1","","Saito, Ryota; Naito, Yuki; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kikkawa, Shoko; Ju, Huiyeong; Ohba, Rintaro; Miyamoto, Tae; Sano, Shogo; Maeda, Kazuya; Tamura, Mako; Azumaya, Isao","Synthesis, crystal structure, and insulin-mimetic activity of zinc(ii) complexes with 4-alkyl- and 4,5-dialkyl-3-hydroxythiazole-2(3H)-thiones as a new class of hypoglycemic agent candidates","New Journal of Chemistry","2025","49","4","1145","1158","10.1039/D4NJ04035J","","","0.71073","MoKα","","0.0249","0.0223","","","0.0553","0.057","","","","","","1.03","","","","has coordinates","299008","2025-04-05","03:43:19",""
"7063534","8.3806","0.0003","13.3652","0.0004","9.0229","0.0003","90","","103.793","0.0004","90","","981.5","0.06","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[3-hydroxy-4,5-dimethyl-2-thioxo-3-thiazololato]zinc(II)","","- C15 H17 N3 O2 S4 Zn -","- C15 H17 N3 O2 S4 Zn -","- C30 H34 N6 O4 S8 Zn2 -","2","1","","Saito, Ryota; Naito, Yuki; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kikkawa, Shoko; Ju, Huiyeong; Ohba, Rintaro; Miyamoto, Tae; Sano, Shogo; Maeda, Kazuya; Tamura, Mako; Azumaya, Isao","Synthesis, crystal structure, and insulin-mimetic activity of zinc(ii) complexes with 4-alkyl- and 4,5-dialkyl-3-hydroxythiazole-2(3H)-thiones as a new class of hypoglycemic agent candidates","New Journal of Chemistry","2025","49","4","1145","1158","10.1039/D4NJ04035J","","","0.71073","MoKα","","0.0169","0.0168","","","0.0444","0.0445","","","","","","1.064","","","","has coordinates","299008","2025-04-05","03:43:19",""
"7063535","11.9955","0.0007","10.9525","0.0007","12.7788","0.0008","90","","94.206","0.001","90","","1674.37","0.18","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[3-hydroxy-4,5,6,7-tetrahydrobenzo[d]thiazole-2(3H)-thionolato]zinc(II)","","- C14 H16 N2 O2 S4 Zn -","- C14 H16 N2 O2 S4 Zn -","- C56 H64 N8 O8 S16 Zn4 -","4","0.5","","Saito, Ryota; Naito, Yuki; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kikkawa, Shoko; Ju, Huiyeong; Ohba, Rintaro; Miyamoto, Tae; Sano, Shogo; Maeda, Kazuya; Tamura, Mako; Azumaya, Isao","Synthesis, crystal structure, and insulin-mimetic activity of zinc(ii) complexes with 4-alkyl- and 4,5-dialkyl-3-hydroxythiazole-2(3H)-thiones as a new class of hypoglycemic agent candidates","New Journal of Chemistry","2025","49","4","1145","1158","10.1039/D4NJ04035J","","","0.71073","MoKα","","0.0262","0.0232","","","0.0568","0.06","","","","","","1.033","","","","has coordinates","299008","2025-04-05","03:43:19",""
"7063542","6.7789","0.0003","28.837","0.0012","9.0488","0.0004","90","","106.466","0.001","90","","1696.34","0.13","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2","","- C15 H13 N2 O5 Re S -","- C15 H13 N2 O5 Re S -","- C60 H52 N8 O20 Re4 S4 -","4","1","","Das, Akash; Guha, Subhabrata; Halder, Arpan; Gharami, Saswati; Naskar, Rahul; Das, Gaurav; Mondal, Tapan K.","Synthesis, characterization, DNA/protein-binding study and anticancer activity of novel tricarbonyl Re(i) complexes with an ONS donor azo-thioether pincer ligand","New Journal of Chemistry","2025","49","2","559","571","10.1039/D4NJ03255A","","","0.71073","MoKα","","0.0313","0.0281","","","0.0698","0.0719","","","","","","1.12","","","","has coordinates","299015","2025-04-05","03:44:21",""
"7063543","12.3197","0.0013","18.6903","0.0019","9.6299","0.0011","90","","111.997","0.003","90","","2056","0.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N2 O4 Re S -","- C21 H15 N2 O4 Re S -","- C84 H60 N8 O16 Re4 S4 -","4","1","","Das, Akash; Guha, Subhabrata; Halder, Arpan; Gharami, Saswati; Naskar, Rahul; Das, Gaurav; Mondal, Tapan K.","Synthesis, characterization, DNA/protein-binding study and anticancer activity of novel tricarbonyl Re(i) complexes with an ONS donor azo-thioether pincer ligand","New Journal of Chemistry","2025","49","2","559","571","10.1039/D4NJ03255A","","","0.71073","MoKα","","0.0277","0.023","","","0.0541","0.0566","","","","","","1.065","","","","has coordinates","299015","2025-04-05","03:44:32",""
"7063544","8.7357","0.0004","12.7597","0.0006","14.3635","0.0006","90","","90","","90","","1601.03","0.12","300","","300","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- B8 Cs1.13 N O16 Rb1.87 -","- B8 Cs1.131 N O16 Rb1.869 -","- B32 Cs4.524 N4 O64 Rb7.476 -","4","1","","Liu, Changyou; Liu, Xu; Feng, Qiuyuan; Hou, Ketian; Zhang, Bei; Lu, Juanjuan","Rb1.87Cs1.13B8O13(NO3): a new acentric borate-nitrate with two types of three-dimensional interpenetrating lattices","New Journal of Chemistry","2025","49","2","360","365","10.1039/D4NJ04372C","","","0.71073","MoKα","","0.0359","0.0296","","","0.0574","0.0606","","","","","","1.043","","","","has coordinates","299016","2025-04-05","03:44:39",""
"7063545","25.474","0.014","14.648","0.008","6.969","0.004","90","","94.997","0.017","90","","2591","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H7 Ag N3 O6 -","- C12 H7 Ag N3 O6 -","- C96 H56 Ag8 N24 O48 -","8","1","","Kaur, Rupali; Yadav, Neeraj; Gouda, Laxman; Jassal, Amanpreet Kaur","Insight into the diversity of dimensionality in silver-based coordination polymers for enhanced supercapacitor performance","New Journal of Chemistry","2025","49","1","141","159","10.1039/D4NJ04451G","","","0.71073","MoKα","","0.1263","0.0594","","","0.1436","0.1781","","","","","","0.883","","","","has coordinates","298995","2025-04-05","03:40:19",""
"7063546","7.1387","0.0003","9.6061","0.0004","11.4125","0.0005","90.441","0.0017","94.919","0.0015","108.822","0.0016","737.52","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Ag N2 O4 -","- C16 H15 Ag N2 O4 -","- C32 H30 Ag2 N4 O8 -","2","1","","Kaur, Rupali; Yadav, Neeraj; Gouda, Laxman; Jassal, Amanpreet Kaur","Insight into the diversity of dimensionality in silver-based coordination polymers for enhanced supercapacitor performance","New Journal of Chemistry","2025","49","1","141","159","10.1039/D4NJ04451G","","","0.71073","MoKα","","0.0341","0.0279","","","0.0706","0.0753","","","","","","1.057","","","","has coordinates","298995","2025-04-05","03:40:20",""
"7063550","17.3013","0.0015","4.7563","0.0004","26.838","0.002","90","","98.01","0.004","90","","2187","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Br2 O2 S4 Zn -","- C20 H16 Br2 O2 S4 Zn -","- C80 H64 Br8 O8 S16 Zn4 -","4","0.5","","Yadav, Chote Lal; Anamika,; Singh, Rajan; Kumar, Akhilesh; Singh, Rakesh K.; Drew, Michael G. B.; Manar, Krishna K.; Singh, Nanhai","Anti-leishmanial study of discrete tetrahedral zinc(ii) β-oxodithioester complexes","New Journal of Chemistry","2025","49","2","484","496","10.1039/D4NJ04275A","","","0.71073","MoKα","","0.0932","0.048","","","0.0814","0.0934","","","","","","1.03","","","","has coordinates","299014","2025-04-05","03:44:07",""
"7063551","24.5268","0.0014","4.7097","0.0003","16.8095","0.0009","90","","110.665","0.003","90","","1816.8","0.19","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 O4 S4 Zn -","- C16 H14 O4 S4 Zn -","- C64 H56 O16 S16 Zn4 -","4","0.5","","Yadav, Chote Lal; Anamika,; Singh, Rajan; Kumar, Akhilesh; Singh, Rakesh K.; Drew, Michael G. B.; Manar, Krishna K.; Singh, Nanhai","Anti-leishmanial study of discrete tetrahedral zinc(ii) β-oxodithioester complexes","New Journal of Chemistry","2025","49","2","484","496","10.1039/D4NJ04275A","","","0.71073","MoKα","","0.0443","0.0363","","","0.0833","0.088","","","","","","1.072","","","","has coordinates,has disorder","299014","2025-04-05","03:44:08",""
"7063552","17.3481","0.0016","51.429","0.005","4.7643","0.0004","90","","90","","90","","4250.7","0.7","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H16 F2 O2 S4 Zn -","- C20 H16 F2 O2 S4 Zn -","- C160 H128 F16 O16 S32 Zn8 -","8","0.5","","Yadav, Chote Lal; Anamika,; Singh, Rajan; Kumar, Akhilesh; Singh, Rakesh K.; Drew, Michael G. B.; Manar, Krishna K.; Singh, Nanhai","Anti-leishmanial study of discrete tetrahedral zinc(ii) β-oxodithioester complexes","New Journal of Chemistry","2025","49","2","484","496","10.1039/D4NJ04275A","","","0.71073","MoKα","","0.0199","0.0189","","","0.0449","0.0455","","","","","","1.07","","","","has coordinates","299014","2025-04-05","03:44:08",""
"7063553","3.59786","0.00013","11.9961","0.0004","4.7679","0.0002","90","","105.285","0.0006","90","","198.505","0.013","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-dihydro[1,2,3]triazolo[4,5-d][1,2,3]triazole","","- C2 H2 N6 -","- C2 H2 N6 -","- C4 H4 N12 -","2","0.5","","Kuznetsova, Agata N.; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon’kova, Tatiana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir A.","Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials","New Journal of Chemistry","2025","49","1","311","320","10.1039/D4NJ04427D","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.00889","3.602","","","","","","","has coordinates","298997","2025-04-05","03:40:47",""
"7063554","4.1132","0.0006","6.0633","0.0008","6.1413","0.0008","92.207","0.005","96.659","0.005","100.975","0.005","149.06","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C4 H6 N6 -","- C4 H6 N6 -","- C4 H6 N6 -","1","0.5","","Kuznetsova, Agata N.; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon’kova, Tatiana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir A.","Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials","New Journal of Chemistry","2025","49","1","311","320","10.1039/D4NJ04427D","","","0.71073","MoKα","","0.0517","0.0424","","","0.1041","0.1117","","","","","","1.015","","","","has coordinates","298997","2025-04-05","03:40:47",""
"7063555","3.879","0.0003","6.2602","0.0005","12.9022","0.0011","90","","98.274","0.002","90","","310.05","0.04","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 N6 -","- C4 H6 N6 -","- C8 H12 N12 -","2","0.5","","Kuznetsova, Agata N.; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon’kova, Tatiana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir A.","Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials","New Journal of Chemistry","2025","49","1","311","320","10.1039/D4NJ04427D","","","0.71073","MoKα","","0.0392","0.0379","","","0.0975","0.0984","","","","","","1.07","","","","has coordinates,has disorder","298997","2025-04-05","03:40:47",""
"7063556","3.6557","0.0005","10.3968","0.0014","13.7717","0.0018","90","","90","","90","","523.43","0.12","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H2 N6 O -","- C3 H2 N6 O -","- C12 H8 N24 O4 -","4","1","","Kuznetsova, Agata N.; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon’kova, Tatiana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir A.","Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials","New Journal of Chemistry","2025","49","1","311","320","10.1039/D4NJ04427D","","","0.71073","MoKα","","0.0382","0.0312","","","0.0763","0.0783","","","","","","0.999","","","","has coordinates","298997","2025-04-05","03:40:47",""
"7063557","10.1984","0.0009","13.0426","0.0011","14.4939","0.0012","90","","90","","90","","1927.9","0.3","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H27 Cl N6 O4 -","- C14 H27 Cl N6 O4 -","- C56 H108 Cl4 N24 O16 -","4","1","","Kuznetsova, Agata N.; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon’kova, Tatiana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir A.","Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials","New Journal of Chemistry","2025","49","1","311","320","10.1039/D4NJ04427D","","","0.71073","MoKα","","0.056","0.0407","","","0.1008","0.1054","","","","","","1.081","","","","has coordinates","298997","2025-04-05","03:40:47",""
"7063558","12.0258","0.0005","9.4375","0.0004","25.3166","0.0012","90","","103.74","0.001","90","","2791","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H54 N8 O7 -","- C18 H54 N8 O7 -","- C72 H216 N32 O28 -","4","0.5","","Kuznetsova, Agata N.; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon’kova, Tatiana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir A.","Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials","New Journal of Chemistry","2025","49","1","311","320","10.1039/D4NJ04427D","","","0.71073","MoKα","","0.0643","0.045","","","0.1108","0.1205","","","","","","1.015","","","","has coordinates,has disorder","298997","2025-04-05","03:40:47",""
"7063559","7.349","0.0002","7.9396","0.0002","10.7583","0.0003","95.085","0.002","92.657","0.002","96.029","0.002","620.82","0.03","100","0.1","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C4 H6 N6 -","- C4 H6 N6 -","- C16 H24 N24 -","4","2","","Kuznetsova, Agata N.; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon’kova, Tatiana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir A.","Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials","New Journal of Chemistry","2025","49","1","311","320","10.1039/D4NJ04427D","","x-ray","1.54184","CuKα","","0.0441","0.0416","","","0.1043","0.1065","","","","","","1.038","","","","has coordinates","298997","2025-04-05","03:40:47",""
"7063560","10.7292","0.0001","7.5194","0.0001","12.3463","0.0001","90","","96.776","0.001","90","","989.107","0.018","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 N7 O -","- C7 H13 N7 O -","- C28 H52 N28 O4 -","4","1","","Kuznetsova, Agata N.; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon’kova, Tatiana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir A.","Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials","New Journal of Chemistry","2025","49","1","311","320","10.1039/D4NJ04427D","","x-ray","1.54184","CuKα","","0.0392","0.0385","","","0.0969","0.0975","","","","","","1.09","","","","has coordinates","298997","2025-04-05","03:40:47",""
"7063561","6.5074","0.0003","13.053","0.0006","7.7581","0.0004","90","","114.532","0.002","90","","599.49","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H3 Cl N6 -","- C2 H3 Cl N6 -","- C8 H12 Cl4 N24 -","4","1","","Kuznetsova, Agata N.; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon’kova, Tatiana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir A.","Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials","New Journal of Chemistry","2025","49","1","311","320","10.1039/D4NJ04427D","","","0.71073","MoKα","","0.0323","0.0263","","","0.0719","0.0734","","","","","","1.151","","","","has coordinates","298997","2025-04-05","03:40:47",""
"7063565","27.756","0.003","4.6794","0.0005","19.632","0.002","90","","90.257","0.004","90","","2549.8","0.5","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 N6 O5 S -","- C9 H12 N6 O5 S -","- C72 H96 N48 O40 S8 -","8","1","","Liang, Ying; Hu, Xian-Kun; Yang, Zhang-Lei; Liu, Miao-Miao; Zhang, Yao; Wu, Jin-Ting; Zhang, Jian-Guo; Zhao, Ting-Xing; Sun, Shan-Hu; Wang, Shu-Min","Benzimidazole-based low-sensitivity and heat-resistant energetic materials: design and synthesis","New Journal of Chemistry","2025","49","1","257","262","10.1039/D4NJ04471A","","","0.71073","MoKα","","0.1382","0.0731","","","0.1322","0.1669","","","","","","1.05","","","","has coordinates,has disorder","298996","2025-04-05","03:40:33",""
"7063567","14.4806","0.0003","23.7117","0.0007","8.07794","0.00019","90","","101.305","0.002","90","","2719.82","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.92 H28.92 Co N2 O13 -","- C24.922 H28.922 Co N2 O13 -","- C99.688 H115.688 Co4 N8 O52 -","4","0.5","","Gumtya, Milan; Mondal, Ayan; Banerjee, Rahul; Haldar, Debasish","Efficient electrocatalytic water oxidation by N-phthaloyl-γ-aminobutyric acid-cobalt 1D MOF","New Journal of Chemistry","2025","49","2","530","535","10.1039/D4NJ03470H","","x-ray","1.54184","CuKα","","0.0523","0.0468","","","0.1279","0.1322","","","","","","1.058","","","","has coordinates","299013","2025-04-05","03:43:59",""
"7063568","8.04154","0.00011","15.1977","0.0002","19.5905","0.0003","90","","93.9704","0.0013","90","","2388.47","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Co N2 O11 -","- C24 H26 Co N2 O11 -","- C96 H104 Co4 N8 O44 -","4","1","","Gumtya, Milan; Mondal, Ayan; Banerjee, Rahul; Haldar, Debasish","Efficient electrocatalytic water oxidation by N-phthaloyl-γ-aminobutyric acid-cobalt 1D MOF","New Journal of Chemistry","2025","49","2","530","535","10.1039/D4NJ03470H","","x-ray","1.54184","CuKα","","0.0553","0.0449","","","0.1197","0.1259","","","","","","1.074","","","","has coordinates","299013","2025-04-05","03:43:59",""
"7063569","11.8334","0.0005","17.227","0.0007","8.0612","0.0003","90","","98.576","0.004","90","","1624.93","0.11","301.2","0.1","301.2","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H30 Cl2 I6 N2 O2 Pb2 -","- C16 H30 Cl2 I6 N2 O2 Pb2 -","- C32 H60 Cl4 I12 N4 O4 Pb4 -","2","1","","Hu, Hui-Yi; Xu, Ya-Xin; Yuan, Shu-Ting; Ma, Jing-Yang; Xia, Guang; Shi, Shu-Ting; Zhou, Zi-Xiong; Yuan, Jin-Bin; Yu, Li-De","Halogen engineering tuned band gap and structural phase transition in lead iodide hybrid perovskite semiconductors","New Journal of Chemistry","2025","49","2","600","604","10.1039/D4NJ04595E","","x-ray","0.71073","MoKα","","0.0532","0.0368","","","0.0832","0.0882","","","","","","0.954","","","","has coordinates","299017","2025-04-05","03:44:46",""
"7063570","8.0496","0.0004","9.9774","0.0005","21.0802","0.0013","90","","94.908","0.005","90","","1686.83","0.16","301.18","0.1","301.18","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C8 H15 I4 N O Pb -","- C8 H15 I4 N O Pb -","- C32 H60 I16 N4 O4 Pb4 -","4","1","","Hu, Hui-Yi; Xu, Ya-Xin; Yuan, Shu-Ting; Ma, Jing-Yang; Xia, Guang; Shi, Shu-Ting; Zhou, Zi-Xiong; Yuan, Jin-Bin; Yu, Li-De","Halogen engineering tuned band gap and structural phase transition in lead iodide hybrid perovskite semiconductors","New Journal of Chemistry","2025","49","2","600","604","10.1039/D4NJ04595E","","x-ray","0.71073","MoKα","","0.0476","0.0375","","","0.0927","0.0966","","","","","","1.01","","","","has coordinates","299017","2025-04-05","03:44:46",""
"7063571","17.9058","0.001","8.079","0.0004","23.1217","0.0011","90","","90","","90","","3344.8","0.3","286.9","0.3","286.9","0.3","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 Br2 I6 N2 O2 Pb2 -","- C16 H28 Br2 I6 N2 O2 Pb2 -","- C64 H112 Br8 I24 N8 O8 Pb8 -","4","1","","Hu, Hui-Yi; Xu, Ya-Xin; Yuan, Shu-Ting; Ma, Jing-Yang; Xia, Guang; Shi, Shu-Ting; Zhou, Zi-Xiong; Yuan, Jin-Bin; Yu, Li-De","Halogen engineering tuned band gap and structural phase transition in lead iodide hybrid perovskite semiconductors","New Journal of Chemistry","2025","49","2","600","604","10.1039/D4NJ04595E","","x-ray","0.71073","MoKα","","0.0975","0.0712","","","0.1972","0.2136","","","","","","0.983","","","","has coordinates","299017","2025-04-05","03:44:46",""
"7063572","7.1121","0.0002","21.6576","0.0007","6.59","0.0002","90","","92.236","0.003","90","","1014.29","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Ca O7 -","- C8 H10 Ca O7 -","- C32 H40 Ca4 O28 -","4","1","","Wang, Na; Ding, Li; Zou, Huiqi; Huan, Zhipeng; Lu, Jing; Liu, Houting; Wang, Suna; Li, Yunwu","Enhancing the proton conduction performance of Nafion composite membranes through doping simple and low-cost hydrated calcium terephthalate","New Journal of Chemistry","2025","49","3","1043","1052","10.1039/D4NJ05056H","","","1.54184","CuKα","","0.0427","0.0413","","","0.1114","0.1126","","","","","","1.057","","","","has coordinates","299049","2025-04-05","03:53:30",""
"7063573","14.5389","0.0009","14.5389","0.0009","25.5523","0.0016","90","","90","","120","","4677.6","0.5","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C39 H29 F N6 -","- C39 H28.9998 F1.0002 N6 -","- C234 H173.999 F6.0012 N36 -","6","0.166667","","Guo, Qiang; Huang, Zixuan; Liu, Jiaqi; Li, Xiaoyu; Zheng, Yanqiong; Gao, Xiuying; Liu, Hui; Li, Jie","Positional effects of fluorine substitution on room temperature phosphorescence in hexaphenylmelamine derivatives","New Journal of Chemistry","2025","49","3","674","678","10.1039/D4NJ04627G","","","1.54184","CuKα","","0.0489","0.0462","","","0.1297","0.1334","","","","","","1.099","","","","has coordinates,has disorder","299045","2025-04-05","03:52:44",""
"7063574","14.3814","0.0004","14.3814","0.0004","25.5525","0.0013","90","","90","","120","","4576.8","0.3","298","","298","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C39 H29 F N6 -","- C39 H28.9998 F1.0002 N6 -","- C234 H173.999 F6.0012 N36 -","6","0.166667","","Guo, Qiang; Huang, Zixuan; Liu, Jiaqi; Li, Xiaoyu; Zheng, Yanqiong; Gao, Xiuying; Liu, Hui; Li, Jie","Positional effects of fluorine substitution on room temperature phosphorescence in hexaphenylmelamine derivatives","New Journal of Chemistry","2025","49","3","674","678","10.1039/D4NJ04627G","","","0.71073","MoKα","","0.0673","0.0417","","","0.1","0.1136","","","","","","1.04","","","","has coordinates,has disorder","299045","2025-04-05","03:52:44",""
"7063575","14.3978","0.0004","14.3978","0.0004","25.623","0.0011","90","","90","","120","","4599.9","0.3","298","","298","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C39 H29 F N6 -","- C39 H28.9998 F1.0002 N6 -","- C234 H173.999 F6.0012 N36 -","6","0.166667","","Guo, Qiang; Huang, Zixuan; Liu, Jiaqi; Li, Xiaoyu; Zheng, Yanqiong; Gao, Xiuying; Liu, Hui; Li, Jie","Positional effects of fluorine substitution on room temperature phosphorescence in hexaphenylmelamine derivatives","New Journal of Chemistry","2025","49","3","674","678","10.1039/D4NJ04627G","","","0.71073","MoKα","","0.0688","0.0414","","","0.096","0.1081","","","","","","1.04","","","","has coordinates,has disorder","299045","2025-04-05","03:52:44",""
"7063576","11.3573","0.0005","15.0998","0.0006","17.5183","0.0008","99.383","0.004","106.34","0.004","94.093","0.004","2822.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 Cl N O8 -","- C29 H30 Cl N O8 -","- C116 H120 Cl4 N4 O32 -","4","2","","Xiang, Min; Liu, Gang-Yong; Liu, Hui-Mei; Zhou, Wen-Yi; Wang, Guang-Wei; Fei, Fei; Jia, Yun-Qing; Shen, Li-Wen","The [4+2] annulation of o-acylamino-aryl MBH carbonates with coumarins: facile access to tetrahydrochromeno[4,3-b]quinolin-6-ones","New Journal of Chemistry","2025","49","3","683","686","10.1039/D4NJ04654D","","x-ray","1.54184","CuKα","","0.0753","0.0568","","","0.155","0.1751","","","","","","1.025","","","","has coordinates,has disorder","299051","2025-04-05","03:53:59",""
"7063577","17.4346","0.0003","8.9182","0.0001","17.58","0.0002","90","","105.318","0.002","90","","2636.32","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N8 Ru S2 -","- C28 H20 N8 Ru S2 -","- C112 H80 N32 Ru4 S8 -","4","1","","Khatkar, Sunita; Dubey, Santosh Kumar; Trivedi, Manoj; Vashisth, Chanchal; Devi, Neeru; Raghav, Neera; Sharma, Meenakshi; Rajamoni, Jagan","Investigation of enzyme inhibition, serum protein protective effects, and molecular docking studies of mixed-ligand ruthenium(ii) polypyridyl complexes","New Journal of Chemistry","2025","49","4","1440","1450","10.1039/D4NJ04773G","","","0.71073","MoKα","","0.0309","0.0261","","","0.0687","0.0711","","","","","","1.085","","","","has coordinates","299010","2025-04-05","03:43:36",""
"7063578","11.0211","0.0014","17.798","0.002","15.593","0.002","90","","93.331","0.004","90","","3053.5","0.6","150.02","","150.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cu Gd N5 O14 -","- C24 H30 Cu Gd N5 O14 -","- C96 H120 Cu4 Gd4 N20 O56 -","4","1","","Nandy, Rakhi; Jana, Narayan Ch.; Jagodič, Marko; Jagličić, Zvonko; Brandão, Paula; Saha, Amrita; Panja, Anangamohan","Impact of paramagnetic CuII and diamagnetic ZnII ions on single-molecule magnetism in heterodinuclear 3d–4f complexes displaying slow relaxation of magnetization","New Journal of Chemistry","2025","49","4","1196","1207","10.1039/D4NJ04958F","","","0.71073","MoKα","","0.0578","0.0402","","","0.0871","0.0962","","","","","","1.101","","","","has coordinates,has disorder","299006","2025-04-05","03:42:59",""
"7063579","10.993","0.0009","17.7673","0.0013","15.5779","0.0012","90","","92.795","0.003","90","","3039","0.4","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cu N5 O14 Tb -","- C24 H30 Cu N5 O14 Tb -","- C96 H120 Cu4 N20 O56 Tb4 -","4","1","","Nandy, Rakhi; Jana, Narayan Ch.; Jagodič, Marko; Jagličić, Zvonko; Brandão, Paula; Saha, Amrita; Panja, Anangamohan","Impact of paramagnetic CuII and diamagnetic ZnII ions on single-molecule magnetism in heterodinuclear 3d–4f complexes displaying slow relaxation of magnetization","New Journal of Chemistry","2025","49","4","1196","1207","10.1039/D4NJ04958F","","","0.71073","MoKα","","0.0643","0.0506","","","0.1127","0.1204","","","","","","1.13","","","","has coordinates,has disorder","299006","2025-04-05","03:42:59",""
"7063580","11.307","0.013","12.824","0.015","12.936","0.016","91.62","0.03","113.14","0.03","98.79","0.03","1696","4","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H40 Dy N3 O11 Zn -","- C31 H40 Dy N3 O11 Zn -","- C62 H80 Dy2 N6 O22 Zn2 -","2","1","","Nandy, Rakhi; Jana, Narayan Ch.; Jagodič, Marko; Jagličić, Zvonko; Brandão, Paula; Saha, Amrita; Panja, Anangamohan","Impact of paramagnetic CuII and diamagnetic ZnII ions on single-molecule magnetism in heterodinuclear 3d–4f complexes displaying slow relaxation of magnetization","New Journal of Chemistry","2025","49","4","1196","1207","10.1039/D4NJ04958F","","","0.71073","MoKα","","0.0346","0.029","","","0.0652","0.0698","","","","","","1.134","","","","has coordinates,has disorder","299006","2025-04-05","03:42:59",""
"7063581","21.0666","0.0006","6.85937","0.00016","24.399","0.0006","90","","107.741","0.003","90","","3358.07","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H19 Ca N3 O12 -","- C9 H19 Ca N3 O12 -","- C72 H152 Ca8 N24 O96 -","8","2","","Shukla, Vibhav; Aalam, Gulshitab; Ali, S. Wazed; Ahamd, Musheer; Haq, Nazrul; Siddiqui, Kafeel Ahmad","Ag@Ca-MOF composite: a dual-function material for luminescence detection and dose reliant photocatalytic breakdown of Bisphenol A","New Journal of Chemistry","2025","49","5","1648","1662","10.1039/D4NJ04856C","","x-ray","1.54184","CuKα","","0.04","0.0356","","","0.1079","0.1115","","","","","","1.0354","","","","has coordinates","299004","2025-04-05","03:42:32",""
"7063582","15.6198","0.0006","15.6415","0.0006","17.9376","0.0004","95.465","0.002","92.67","0.002","90.759","0.003","4357.1","0.3","126","18","126","18","","","","","","","","8","P -1","-P 1","2","","","","- C78 H92 Cl4 Co3 K2 N19 O13 S3 -","- C78 H92 Cl4 Co3 K2 N19 O13 S3 -","- C156 H184 Cl8 Co6 K4 N38 O26 S6 -","2","1","","Nazarov, Dmitry I.; Kuzmin, Alexey V.; Islyaikin, Mikhail K.; Ivanov, Evgenii N.; Shestakov, Alexander F.; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Macrocycle- and metal-centered reduction of cobalt trithiadodecaazahexaphyrin (Hhp). Metal-to-ligand charge transfer in {(CoI2CoIIO)(Hhp˙4−)}2−","New Journal of Chemistry","2025","49","5","1631","1639","10.1039/D4NJ04896B","","x-ray","0.71073","MoKα","","0.0982","0.0588","","","0.1282","0.1545","","","","","","1.018","","","","has coordinates,has disorder","299003","2025-04-05","03:42:24",""
"7063583","13.213","0.001","20.8813","0.0016","18.7007","0.0014","90","","97.169","0.002","90","","5119.3","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H100 La6 O116 V23 -","- H44 La6 O92 V23 -","- H88 La12 O184 V46 -","2","0.5","","Somasundaram, Janaki Devi; Kabzan, Henrich; Gyepes, Róbert; Krivosudský, Lukáš","Breaking boundaries: novel tridecavanadate polyoxometalates with a unique six-fold tetradentate coordination capacity for lanthanum(iii) and a two-fold bidentate decavanadate ligand in a single compound","New Journal of Chemistry","2025","49","6","2096","2105","10.1039/D4NJ03690E","","","0.71073","MoKα","","0.049","0.0363","","","0.0809","0.0849","","","","","","1.075","","","","has coordinates,has disorder","299019","2025-04-05","03:45:44",""
"7063584","10.4779","0.0002","11.2361","0.0002","11.6788","0.0003","114.085","0.002","99.949","0.002","99.561","0.0019","1192.81","0.05","160","0.1","160","0.1","","","","","","","","4","P -1","-P 1","2","","","","- H28 La2 O50 V10 -","- H28 La2 O50 V10 -","- H28 La2 O50 V10 -","1","0.5","","Somasundaram, Janaki Devi; Kabzan, Henrich; Gyepes, Róbert; Krivosudský, Lukáš","Breaking boundaries: novel tridecavanadate polyoxometalates with a unique six-fold tetradentate coordination capacity for lanthanum(iii) and a two-fold bidentate decavanadate ligand in a single compound","New Journal of Chemistry","2025","49","6","2096","2105","10.1039/D4NJ03690E","","x-ray","0.71073","MoKα","","0.053","0.0462","","","0.1232","0.1302","","","","","","1.029","","","","has coordinates","299019","2025-04-05","03:45:44",""
"7063585","18.7636","0.0006","24.2176","0.0008","23.0563","0.0008","90","","90","","90","","10477","0.6","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H96 La12 O232 V46 -","- La12 O184 V46 -","- La24 O368 V92 -","2","0.25","","Somasundaram, Janaki Devi; Kabzan, Henrich; Gyepes, Róbert; Krivosudský, Lukáš","Breaking boundaries: novel tridecavanadate polyoxometalates with a unique six-fold tetradentate coordination capacity for lanthanum(iii) and a two-fold bidentate decavanadate ligand in a single compound","New Journal of Chemistry","2025","49","6","2096","2105","10.1039/D4NJ03690E","","","0.71073","MoKα","","0.0902","0.0691","","","0.1516","0.1632","","","","","","1.092","","","","has coordinates","299019","2025-04-05","03:45:44",""
"7063586","11.5944","0.0002","22.4932","0.0004","17.7244","0.0004","90","","109.056","0.002","90","","4369.13","0.16","122.97","0.1","122.97","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H69 Al N4 Se -","- C47 H69 Al N4 Se -","- C188 H276 Al4 N16 Se4 -","4","1","","Li, Bin; Wang, Yuanyuan; Suthar, Sonam; Zhang, Manbo; Mondal, Kartik Chandra","Comparable syntheses of terminal aluminum selenide and telluride","New Journal of Chemistry","2025","49","4","1133","1137","10.1039/D4NJ04255G","","x-ray","1.54184","CuKα","","0.0382","0.0343","","","0.0898","0.0934","","","","","","1.027","","","","has coordinates,has disorder","299005","2025-04-05","03:42:42",""
"7063587","12.4487","0.0001","10.8335","0.0001","33.6911","0.0003","90","","100.232","0.001","90","","4471.42","0.07","123.01","0.13","123.01","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H69 Al N4 Te -","- C47 H69 Al N4 Te -","- C188 H276 Al4 N16 Te4 -","4","1","","Li, Bin; Wang, Yuanyuan; Suthar, Sonam; Zhang, Manbo; Mondal, Kartik Chandra","Comparable syntheses of terminal aluminum selenide and telluride","New Journal of Chemistry","2025","49","4","1133","1137","10.1039/D4NJ04255G","","x-ray","1.39222","CuKβ","","0.0405","0.0352","","","0.0912","0.096","","","","","","1.062","","","","has coordinates","299005","2025-04-05","03:42:43",""
"7063588","13.2041","0.0003","8.8612","0.0003","14.7734","0.0003","90","","92.657","0.002","90","","1726.69","0.08","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H30 Cl2 N6 O2 -","- C34 H30 Cl2 N6 O2 -","- C68 H60 Cl4 N12 O4 -","2","1","","Wang, Xi-Rui; Hu, Pan; Jing, Hui-Xian; Yu, Zhang-Biao; Yao, Zhen; Liu, Xiong-Wei; Zhang, Wen-Jing; Peng, Li-Jun; Liu, Xiong-Li","Development of chiral modular bifunctional C2-symmetric bipyridine/phenanthroline-bipyrroloimidazolone ligands and application in noncovalent interaction-assisted enantioselective catalysis","New Journal of Chemistry","2025","49","4","1138","1144","10.1039/D4NJ05018E","","x-ray","1.54184","CuKα","","0.0716","0.0696","","","0.1974","0.1991","","","","","","1.057","","","","has coordinates,has disorder","299007","2025-04-05","03:43:07",""
"7063589","17.0366","0.0011","19.0753","0.0012","26.8991","0.0018","100.308","0.002","97.885","0.002","91.231","0.002","8509.7","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H100 Cu2 N4 O6 -","- C84 H100 Cu2 N4 O6 -","- C336 H400 Cu8 N16 O24 -","4","2","","Jain, Isha; Rohini,; Jain, Ravish Kumar; Devi, Sudha; Malik, Payal","Neutral self-assembly of dinuclear copper(ii) metallacycles derived from Schiff base ligands: synthesis, characterization and catalysis","New Journal of Chemistry","2025","49","3","951","958","10.1039/D4NJ03994G","","","0.71073","MoKα","","0.0769","0.0527","","","0.1206","0.1342","","","","","","1.061","","","","has coordinates,has disorder","299046","2025-04-05","03:53:00",""
"7063590","17.163","0.0009","21.2607","0.0011","18.3542","0.001","90","","111.948","0.002","90","","6212","0.6","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59.98 H84 Cu2 N4 O4 -","- C59.9798 H84 Cu2 N4 O4 -","- C239.919 H336 Cu8 N16 O16 -","4","0.5","","Jain, Isha; Rohini,; Jain, Ravish Kumar; Devi, Sudha; Malik, Payal","Neutral self-assembly of dinuclear copper(ii) metallacycles derived from Schiff base ligands: synthesis, characterization and catalysis","New Journal of Chemistry","2025","49","3","951","958","10.1039/D4NJ03994G","","x-ray","0.71073","MoKα","","0.0773","0.05","","","0.1254","0.1526","","","","","","1.082","","","","has coordinates","299046","2025-04-05","03:53:00",""
"7063591","17.9238","0.0005","5.1151","0.0001","21.7565","0.0006","90","","113.15","0.003","90","","1834.07","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","(1'R,5S)-4T","(1'R,5S)-N-(1'-(3''-methoxyphenyl)-ethyl)-2-thioxo-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-5-yl-acetamide,","","- C16 H17 N O2 S5 -","- C16 H17 N O2 S5 -","- C64 H68 N4 O8 S20 -","4","2","","Short, Jonathan I.; Rushbridge, Elizabeth K.; Blundell, Toby J.; Ogar, Joseph O.; Yang, Songjie; Wallis, John D.; Martin, Lee","A series of enantiopure BEDT-TTF-acetamide derivatives with two stereogenic centres","New Journal of Chemistry","2025","49","3","910","920","10.1039/D4NJ03967J","","","1.54184","CuKα","","0.0371","0.0357","","","0.0948","0.0965","","","","","","1.034","","","","has coordinates","299048","2025-04-05","03:53:23",""
"7063592","4.7188","0.0001","8.5874","0.0001","11.6175","0.0002","100.029","0.001","99.597","0.002","100.468","0.002","446.191","0.014","120","","120.15","","","","","","","","","5","P 1","P 1","1","1S5S5T","(1'S,5S)-N-(1'-(4''-methylphenyl)-ethyl)-2-thioxo-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-5-yl-acetamide","","- C16 H17 N O S5 -","- C16 H17 N O S5 -","- C16 H17 N O S5 -","1","1","","Short, Jonathan I.; Rushbridge, Elizabeth K.; Blundell, Toby J.; Ogar, Joseph O.; Yang, Songjie; Wallis, John D.; Martin, Lee","A series of enantiopure BEDT-TTF-acetamide derivatives with two stereogenic centres","New Journal of Chemistry","2025","49","3","910","920","10.1039/D4NJ03967J","","x-ray","1.54184","CuKα","","0.0371","0.0361","","","0.0996","0.1006","","","","","","1.074","","","","has coordinates","299048","2025-04-05","03:53:23",""
"7063593","9.75418","0.00015","12.01883","0.00017","23.5844","0.0003","90","","95.4955","0.0012","90","","2752.18","0.07","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","[1''-S,5S-8]2I3","","- C44 H42 I3 N2 O6 S16 -","- C44 H42 I3 N2 O6 S16 -","- C88 H84 I6 N4 O12 S32 -","2","1","","Short, Jonathan I.; Rushbridge, Elizabeth K.; Blundell, Toby J.; Ogar, Joseph O.; Yang, Songjie; Wallis, John D.; Martin, Lee","A series of enantiopure BEDT-TTF-acetamide derivatives with two stereogenic centres","New Journal of Chemistry","2025","49","3","910","920","10.1039/D4NJ03967J","","x-ray","1.54184","CuKα","","0.0855","0.0812","","","0.2071","0.2117","","","","","","1.028","","","","has coordinates,has disorder","299048","2025-04-05","03:53:23",""
"7063594","4.7222","0.0001","15.9527","0.0003","35.4246","0.0005","90","","90","","90","","2668.6","0.08","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1''S,5S)-N-(1''-(2''-phenyl-1''-methoxycarbonyl)ethyl)-(BEDT-TTF)-acetamide","","- C22 H21 N O3 S8 -","- C22 H21 N O3 S8 -","- C88 H84 N4 O12 S32 -","4","1","","Short, Jonathan I.; Rushbridge, Elizabeth K.; Blundell, Toby J.; Ogar, Joseph O.; Yang, Songjie; Wallis, John D.; Martin, Lee","A series of enantiopure BEDT-TTF-acetamide derivatives with two stereogenic centres","New Journal of Chemistry","2025","49","3","910","920","10.1039/D4NJ03967J","","x-ray","1.54184","CuKα","","0.0479","0.0464","","","0.1247","0.1258","","","","","","1.082","","","","has coordinates","299048","2025-04-05","03:53:23",""
"7063595","18.7628","0.0004","4.8885","0.0001","21.3421","0.0005","90","","90.515","0.002","90","","1957.46","0.07","150","","150.01","0.1","","","","","","","","5","C 1 2 1","C 2y","5","1R5R7T","(1'R,5R)-N-(1-(1'-naphthyl)-ethyl)-2-thioxo-5,6-dihydro-[1,3]dithiolo[4,5-b]dithiin -5-yl-acetamide","","- C19 H17 N O S5 -","- C19 H17 N O S5 -","- C76 H68 N4 O4 S20 -","4","1","","Short, Jonathan I.; Rushbridge, Elizabeth K.; Blundell, Toby J.; Ogar, Joseph O.; Yang, Songjie; Wallis, John D.; Martin, Lee","A series of enantiopure BEDT-TTF-acetamide derivatives with two stereogenic centres","New Journal of Chemistry","2025","49","3","910","920","10.1039/D4NJ03967J","","","0.71073","MoKα","","0.0406","0.0366","","","0.0814","0.0831","","","","","","1.076","","","","has coordinates","299048","2025-04-05","03:53:23",""
"7063596","4.7058","0.0002","23.3373","0.0009","8.5808","0.0004","90","","103.703","0.005","90","","915.53","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","1R5R6T","(1'R,5R) N-(1'-cyclohexylethyl)-2-(-2-thioxo-5,6-dihydro-[1,3]dithiolo[4,5-b]- [1,4]dithiin-5-yl)acetamide(eluted first)","","- C15 H21 N O S5 -","- C15 H21 N O S5 -","- C30 H42 N2 O2 S10 -","2","1","","Short, Jonathan I.; Rushbridge, Elizabeth K.; Blundell, Toby J.; Ogar, Joseph O.; Yang, Songjie; Wallis, John D.; Martin, Lee","A series of enantiopure BEDT-TTF-acetamide derivatives with two stereogenic centres","New Journal of Chemistry","2025","49","3","910","920","10.1039/D4NJ03967J","","x-ray","1.54184","CuKα","","0.0344","0.033","","","0.0856","0.0863","","","","","","1.07","","","","has coordinates","299048","2025-04-05","03:53:23",""
"7063597","5.1016","0.0001","10.4751","0.0001","18.4059","0.0003","88.54","0.001","83.431","0.001","89.743","0.001","976.83","0.03","120","","120","","","","","","","","","5","P 1","P 1","1","1S5R8T","(1'S,5R)-N-(1'-(2'-phenyl-1'-methoxycarbonyl)ethyl)- 2-thioxo-5,6-dihydro-[1,3]dithiolo[4,5-b]dithiin -5-yl-acetamide","","- C17 H17 N O3 S5 -","- C17 H17 N O3 S5 -","- C34 H34 N2 O6 S10 -","2","2","","Short, Jonathan I.; Rushbridge, Elizabeth K.; Blundell, Toby J.; Ogar, Joseph O.; Yang, Songjie; Wallis, John D.; Martin, Lee","A series of enantiopure BEDT-TTF-acetamide derivatives with two stereogenic centres","New Journal of Chemistry","2025","49","3","910","920","10.1039/D4NJ03967J","","x-ray","1.54184","CuKα","","0.0548","0.0534","","","0.1453","0.1471","","","","","","1.083","","","","has coordinates","299048","2025-04-05","03:53:23",""
"7063598","5.371","0.00008","8.61043","0.00011","38.2183","0.0005","90","","90.1243","0.0013","90","","1767.46","0.04","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","(1R,5S)7.TCNQF2","(1''R,5S)-N-(1''-(Naphth-1'''-yl)ethyl)-(BEDT-TTF)-acetamide. TCNQ-F4","","- C36 H23 F2 N5 O S8 -","- C36 H23 F2 N5 O S8 -","- C72 H46 F4 N10 O2 S16 -","2","1","","Short, Jonathan I.; Rushbridge, Elizabeth K.; Blundell, Toby J.; Ogar, Joseph O.; Yang, Songjie; Wallis, John D.; Martin, Lee","A series of enantiopure BEDT-TTF-acetamide derivatives with two stereogenic centres","New Journal of Chemistry","2025","49","3","910","920","10.1039/D4NJ03967J","","x-ray","1.54184","CuKα","","0.0382","0.0345","","","0.086","0.0875","","","","","","1.073","","","","has coordinates,has disorder","299048","2025-04-05","03:53:23",""
"7063599","4.9962","0.0001","20.156","0.0002","23.8244","0.0002","90","","90","","90","","2399.2","0.06","120","0.1","120","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1''R,5S)-N-(1''-(3'''-Chlorophenyl)ethyl)-(BEDT-TTF)-acetamide","","- C20 H18 Cl N O S8 -","- C20 H18 Cl N O S8 -","- C80 H72 Cl4 N4 O4 S32 -","4","1","","Short, Jonathan I.; Rushbridge, Elizabeth K.; Blundell, Toby J.; Ogar, Joseph O.; Yang, Songjie; Wallis, John D.; Martin, Lee","A series of enantiopure BEDT-TTF-acetamide derivatives with two stereogenic centres","New Journal of Chemistry","2025","49","3","910","920","10.1039/D4NJ03967J","","x-ray","1.54184","CuKα","","0.0246","0.0232","","","0.0554","0.056","","","","","","1.046","","","","has coordinates","299048","2025-04-05","03:53:23",""
"7063600","9.492","0.00009","12.29801","0.00013","21.6372","0.0002","90","","100.093","0.001","90","","2486.68","0.04","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","(1''R,5R)-N-(3-chlorophenyl)ethyl-(BEDT-TTF)-acetamide","","- C20 H18 Cl N O S8 -","- C20 H18 Cl N O S8 -","- C80 H72 Cl4 N4 O4 S32 -","4","2","","Short, Jonathan I.; Rushbridge, Elizabeth K.; Blundell, Toby J.; Ogar, Joseph O.; Yang, Songjie; Wallis, John D.; Martin, Lee","A series of enantiopure BEDT-TTF-acetamide derivatives with two stereogenic centres","New Journal of Chemistry","2025","49","3","910","920","10.1039/D4NJ03967J","","x-ray","1.54184","CuKα","","0.0484","0.0422","","","0.1071","0.1106","","","","","","1.081","","","","has coordinates","299048","2025-04-05","03:53:23",""
"7063601","16.6283","0.0016","20.91","0.002","14.0123","0.0014","90","","90","","90","","4872","0.8","296","2","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H25 Mo12 N4 O41 P -","- C20 H22 Mo12 N4 O42 P -","- C80 H88 Mo48 N16 O168 P4 -","4","0.5","","Zhang, Shuyuan; Wang, Guangning; Liu, Jie; Wang, Qian; Zhang, Chunjing; Pang, Haijun; Li, Xiaoyi; Wang, Shiming; Chen, Tingting","Polyoxometalate-based coordination polymers enhance electrocatalytic hydrogen evolution in trimetallic sulfides","New Journal of Chemistry","2025","49","3","1091","1099","10.1039/D4NJ04347B","","","0.71073","MoKα","","0.0793","0.0554","","","0.1245","0.1389","","","","","","1.191","","","","has coordinates,has disorder","299047","2025-04-05","03:53:07",""
"7063602","21.0907","0.0004","9.4161","0.0002","11.6444","0.0002","90","","107.118","0.001","90","","2210.04","0.07","303","","303","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H20 N4 O3 S -","- C24 H20 N4 O3 S -","- C96 H80 N16 O12 S4 -","4","1","","Wang, Kaimin; Dong, Jianning; Sun, Leilei; Tu, Yayi; Pu, Shouzhi; Fan, Congbin","A turn-on benzothiazole-based fluorescent probe for rapid cysteine detection in living cells","New Journal of Chemistry","2025","49","5","1718","1724","10.1039/D4NJ04650A","","","1.54178","CuKα","","0.0432","0.0404","","","0.1154","0.1194","","","","","","1.039","","","","has coordinates","299002","2025-04-05","03:42:04",""
"7063603","6.1862","0.0001","10.9811","0.0002","14.9277","0.0002","68.947","0.001","87.848","0.001","78.761","0.001","927.64","0.03","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N2 O2 S -","- C23 H20 N2 O2 S -","- C46 H40 N4 O4 S2 -","2","1","","Wang, Kaimin; Dong, Jianning; Sun, Leilei; Tu, Yayi; Pu, Shouzhi; Fan, Congbin","A turn-on benzothiazole-based fluorescent probe for rapid cysteine detection in living cells","New Journal of Chemistry","2025","49","5","1718","1724","10.1039/D4NJ04650A","","","1.54178","CuKα","","0.0401","0.0385","","","0.1104","0.1124","","","","","","1.046","","","","has coordinates","299002","2025-04-05","03:42:04",""
"7063604","8.3439","0.0014","15.187","0.003","14.026","0.003","90","","98.286","0.004","90","","1758.8","0.6","276","2","276","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H20 Cl2 Cu N5 O8 -","- C8 H20 Cl2 Cu N5 O8 -","- C32 H80 Cl8 Cu4 N20 O32 -","4","1","","Qi, Zhichao; Hu, Jinlin; Ruan, Zhijun; Chen, Yanmei; Qu, Yanbo; Liang, Xiangming; Lin, Junqi","Impact of coordinated nitrogen atoms on the electrocatalytic water oxidation properties of copper complexes with pentadentate ligands","New Journal of Chemistry","2025","49","4","1451","1458","10.1039/D4NJ03482A","","","0.71073","MoKα","","0.1179","0.0627","","","0.1369","0.1641","","","","","","1.035","","","","has coordinates,has disorder","299009","2025-04-05","03:43:27",""
"7063605","14.987","0.0003","9.9557","0.0003","29.6358","0.0007","90","","90","","90","","4421.84","0.19","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H23 Cl2 Cu N5 O8 -","- C16 H23 Cl2 Cu N5 O8 -","- C128 H184 Cl16 Cu8 N40 O64 -","8","1","","Qi, Zhichao; Hu, Jinlin; Ruan, Zhijun; Chen, Yanmei; Qu, Yanbo; Liang, Xiangming; Lin, Junqi","Impact of coordinated nitrogen atoms on the electrocatalytic water oxidation properties of copper complexes with pentadentate ligands","New Journal of Chemistry","2025","49","4","1451","1458","10.1039/D4NJ03482A","","","","","","0.104","","","","","","","","","","","","","","","has coordinates","299009","2025-04-05","03:43:27",""
"7063606","9.1931","0.0001","9.1931","0.0001","23.9143","0.0004","90","","90","","90","","2021.07","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H28 Br2 Co N4 -","- C20 H28 Br2 Co N4 -","- C80 H112 Br8 Co4 N16 -","4","0.5","","Yu, Ning; Zhang, Bowen; Liang, Shuyan; Shi, Minghui; Han, Feng; Zhang, Congcong; Yang, Qingfeng; Miao, Chengxia","Cobalt complex with a tetradentate aminopyridine ligand: a single-component and efficient catalytic system for the cycloaddition reactions of CO2 and epoxides","New Journal of Chemistry","2025","49","4","1430","1439","10.1039/D4NJ04346D","","x-ray","1.54184","CuKα","","0.03","0.0286","","","0.0717","0.0723","","","","","","1.057","","","","has coordinates","299011","2025-04-05","03:43:43",""
"7063607","17.9919","0.0006","11.6497","0.0004","18.6138","0.0006","90","","98.072","0.002","90","","3862.8","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H36 N2 O4 P2 Ru -","- C45 H36 N2 O4 P2 Ru -","- C180 H144 N8 O16 P8 Ru4 -","4","1","","Dhibar, Papu; Chandra, Anushri; Paul, Piyali; Bhattacharya, Samaresh","Ancillary ligand-induced variation in electronic spectral and catalytic properties of heteroleptic ONO-pincer complexes of ruthenium","New Journal of Chemistry","2025","49","7","2674","2684","10.1039/D4NJ04996A","","","0.71073","MoKα","","0.0364","0.0276","","","0.0688","0.078","","","","","","1.0986","","","","has coordinates,has disorder","299032","2025-04-05","03:50:06",""
"7063608","11.009","0.003","33.411","0.011","11.823","0.004","90","","90.06","","90","","4349","2","252","2","252.17","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H44 N2 O6 P2 Ru -","- C49 H42 N2 O5 P2 Ru -","- C196 H168 N8 O20 P8 Ru4 -","4","1","","Dhibar, Papu; Chandra, Anushri; Paul, Piyali; Bhattacharya, Samaresh","Ancillary ligand-induced variation in electronic spectral and catalytic properties of heteroleptic ONO-pincer complexes of ruthenium","New Journal of Chemistry","2025","49","7","2674","2684","10.1039/D4NJ04996A","","","0.71073","MoKα","","0.0888","0.0592","","","0.1402","0.1627","","","","","","1.026","","","","has coordinates","299032","2025-04-05","03:50:06",""
"7063609","11.4","0.3","15.1","0.4","19.2","0.5","90","","101.3","0.3","90","","3241","15","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H30 N3 O6 P Ru -","- C35 H30 N3 O6 P Ru -","- C140 H120 N12 O24 P4 Ru4 -","4","1","","Dhibar, Papu; Chandra, Anushri; Paul, Piyali; Bhattacharya, Samaresh","Ancillary ligand-induced variation in electronic spectral and catalytic properties of heteroleptic ONO-pincer complexes of ruthenium","New Journal of Chemistry","2025","49","7","2674","2684","10.1039/D4NJ04996A","","","0.71073","MoKα","","0.0993","0.0703","","","0.1531","0.1618","","","","","","1.164","","","","has coordinates","299032","2025-04-05","03:50:06",""
"7063610","11.011","0.009","16.07","0.02","37.32","0.04","90","","90","","90","","6604","12","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C75 H55.8 Cl2 N6 O8.9 P2 Ru2 -","- C75 H54 Cl2 N6 O8 P2 Ru2 -","- C300 H216 Cl8 N24 O32 P8 Ru8 -","4","1","","Dhibar, Papu; Chandra, Anushri; Paul, Piyali; Bhattacharya, Samaresh","Ancillary ligand-induced variation in electronic spectral and catalytic properties of heteroleptic ONO-pincer complexes of ruthenium","New Journal of Chemistry","2025","49","7","2674","2684","10.1039/D4NJ04996A","","","0.71073","MoKα","","0.1796","0.0847","","","0.1819","0.2243","","","","","","1.014","","","","has coordinates","299032","2025-04-05","03:50:06",""
"7063611","7.0722","0.0001","10.1817","0.0002","10.6172","0.0002","95.843","0.002","107.336","0.002","106.89","0.002","683.29","0.03","293","2","293","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 La O8 -","- C11 H12 La O8 -","- C22 H24 La2 O16 -","2","1","","Sen, Charanjeet; Singh, Rohit; Devi, Swaita; Niharika,; Singhaal, Richa; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Design and synthesis of 2D coordination polymers from isophthalic and adipic acids: exploring Tb-based luminescent sensors for Cr3+, Fe3+ and p-NA","New Journal of Chemistry","2025","49","6","2350","2364","10.1039/D4NJ05061D","","x-ray","0.71073","MoKα","","0.0178","0.0173","","","0.043","0.0432","","","","","","1.0337","","","","has coordinates","299018","2025-04-05","03:45:25",""
"7063612","7.0312","0.0003","10.1657","0.0003","10.6142","0.0004","95.19","0.003","107.78","0.003","107.272","0.003","676.03","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 Ce O8 -","- C11 H12 Ce O8 -","- C22 H24 Ce2 O16 -","2","1","","Sen, Charanjeet; Singh, Rohit; Devi, Swaita; Niharika,; Singhaal, Richa; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Design and synthesis of 2D coordination polymers from isophthalic and adipic acids: exploring Tb-based luminescent sensors for Cr3+, Fe3+ and p-NA","New Journal of Chemistry","2025","49","6","2350","2364","10.1039/D4NJ05061D","","x-ray","0.71073","MoKα","","0.0233","0.0227","","","0.0578","0.0582","","","","","","1.057","","","","has coordinates","299018","2025-04-05","03:45:25",""
"7063613","6.8323","0.0002","10.0734","0.0003","10.5238","0.0003","93.276","0.002","108.127","0.003","108.882","0.003","641.19","0.04","293","2","293","2","","","","","","","syntheiszed","4","P -1","-P 1","2","","","","- C11 H12 O8 Tb -","- C11 H12 O8 Tb -","- C22 H24 O16 Tb2 -","2","1","","Sen, Charanjeet; Singh, Rohit; Devi, Swaita; Niharika,; Singhaal, Richa; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Design and synthesis of 2D coordination polymers from isophthalic and adipic acids: exploring Tb-based luminescent sensors for Cr3+, Fe3+ and p-NA","New Journal of Chemistry","2025","49","6","2350","2364","10.1039/D4NJ05061D","","x-ray","0.71073","MoKα","","0.0417","0.0401","","","0.1007","0.1019","","","","","","1.066","","","","has coordinates,has disorder","299018","2025-04-05","03:45:25",""
"7063614","6.786","0.0002","10.0313","0.0003","10.499","0.0003","92.98","0.002","108.078","0.002","108.891","0.003","633.51","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 Ho O8 -","- C11 H12 Ho O8 -","- C22 H24 Ho2 O16 -","2","1","","Sen, Charanjeet; Singh, Rohit; Devi, Swaita; Niharika,; Singhaal, Richa; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Design and synthesis of 2D coordination polymers from isophthalic and adipic acids: exploring Tb-based luminescent sensors for Cr3+, Fe3+ and p-NA","New Journal of Chemistry","2025","49","6","2350","2364","10.1039/D4NJ05061D","","x-ray","0.71073","MoKα","","0.0356","0.0346","","","0.0897","0.0907","","","","","","1.028","","","","has coordinates","299018","2025-04-05","03:45:25",""
"7063615","6.8597","0.0002","10.094","0.0004","10.5435","0.0003","93.315","0.003","108.272","0.003","108.886","0.003","645.53","0.04","293","2","293","2","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C11 H12 Gd O8 -","- C11 H12 Gd O8 -","- C22 H24 Gd2 O16 -","2","1","","Sen, Charanjeet; Singh, Rohit; Devi, Swaita; Niharika,; Singhaal, Richa; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Design and synthesis of 2D coordination polymers from isophthalic and adipic acids: exploring Tb-based luminescent sensors for Cr3+, Fe3+ and p-NA","New Journal of Chemistry","2025","49","6","2350","2364","10.1039/D4NJ05061D","","x-ray","0.71073","MoKα","","0.0501","0.0487","","","0.1287","0.13","","","","","","1.077","","","","has coordinates,has disorder","299018","2025-04-05","03:45:25",""
"7063616","6.9949","0.0001","10.1549","0.0002","10.6105","0.0002","94.705","0.002","107.924","0.002","107.681","0.002","670.31","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 O8 Pr -","- C11 H12 O8 Pr -","- C22 H24 O16 Pr2 -","2","1","","Sen, Charanjeet; Singh, Rohit; Devi, Swaita; Niharika,; Singhaal, Richa; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Design and synthesis of 2D coordination polymers from isophthalic and adipic acids: exploring Tb-based luminescent sensors for Cr3+, Fe3+ and p-NA","New Journal of Chemistry","2025","49","6","2350","2364","10.1039/D4NJ05061D","","x-ray","0.71073","MoKα","","0.0244","0.0236","","","0.0595","0.06","","","","","","1.049","","","","has coordinates","299018","2025-04-05","03:45:25",""
"7063617","6.8112","0.0002","10.0395","0.0003","10.5052","0.0003","93.118","0.002","108.138","0.002","108.871","0.003","636.29","0.04","293","2","293","2","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C11 H12 Dy O8 -","- C11 H12 Dy O8 -","- C22 H24 Dy2 O16 -","2","1","","Sen, Charanjeet; Singh, Rohit; Devi, Swaita; Niharika,; Singhaal, Richa; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Design and synthesis of 2D coordination polymers from isophthalic and adipic acids: exploring Tb-based luminescent sensors for Cr3+, Fe3+ and p-NA","New Journal of Chemistry","2025","49","6","2350","2364","10.1039/D4NJ05061D","","x-ray","0.71073","MoKα","","0.0505","0.0493","","","0.1339","0.1355","","","","","","1.0301","","","","has coordinates,has disorder","299018","2025-04-05","03:45:25",""
"7063618","6.9193","0.0003","10.1654","0.0003","10.5906","0.0004","93.467","0.003","108.457","0.003","108.869","0.003","657.53","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 O8 Sm -","- C11 H12 O8 Sm -","- C22 H24 O16 Sm2 -","2","1","","Sen, Charanjeet; Singh, Rohit; Devi, Swaita; Niharika,; Singhaal, Richa; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Design and synthesis of 2D coordination polymers from isophthalic and adipic acids: exploring Tb-based luminescent sensors for Cr3+, Fe3+ and p-NA","New Journal of Chemistry","2025","49","6","2350","2364","10.1039/D4NJ05061D","","","0.71073","MoKα","","0.0822","0.0818","","","0.1907","0.1918","","","","","","1.0291","","","","has coordinates","299018","2025-04-05","03:45:25",""
"7063619","6.8831","0.0001","10.1047","0.0001","10.5688","0.0001","93.297","0.001","108.297","0.001","108.671","0.001","650.901","0.015","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 Eu O8 -","- C11 H12 Eu O8 -","- C22 H24 Eu2 O16 -","2","1","","Sen, Charanjeet; Singh, Rohit; Devi, Swaita; Niharika,; Singhaal, Richa; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Design and synthesis of 2D coordination polymers from isophthalic and adipic acids: exploring Tb-based luminescent sensors for Cr3+, Fe3+ and p-NA","New Journal of Chemistry","2025","49","6","2350","2364","10.1039/D4NJ05061D","","","0.71073","MoKα","","0.0212","0.0206","","","0.0509","0.0514","","","","","","1.0588","","","","has coordinates","299018","2025-04-05","03:45:25",""
"7063620","20.094","0.0007","20.094","0.0007","36.2908","0.0012","90","","90","","120","","12690","0.8","169.15","","169.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C66 H120 N9 Nd O18 -","- C66 H120 N9 Nd O18 -","- C396 H720 N54 Nd6 O108 -","6","0.166667","","Yin, Jingjing; Peng, Xiujing; Zhang, Miaomiao; Liu, Yifan; Wang, Haoran; Zheng, Jixi; Sun, Guoxin; Cui, Yu","Study on the extraction behavior of Nd(iii) in nitric acid medium by novel asymmetric alkyl diglycolamide extractants with different structures","New Journal of Chemistry","2025","49","7","2973","2979","10.1039/D4NJ04748F","","","1.54184","CuKα","","0.1174","0.0798","","","0.2421","0.2923","","","","","","1.107","","","","has coordinates,has disorder","299033","2025-04-05","03:50:18",""
"7063621","19.1538","0.0016","11.408","0.0009","7.429","0.0006","90","","101.402","0.003","90","","1591.2","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 F6 N2 O4 Zn -","- C16 H8 F6 N2 O4 Zn -","- C64 H32 F24 N8 O16 Zn4 -","4","0.5","","Uvarova, Marina A.; Dolgushin, Fedor M.; Shender, Victoriya O.; Metlin, Mikhail T.; Metlina, Daria A.; Taydakov, Ilya V.; Bekker, Olga B.; Lutsenko, Irina A.; Eremenko, Igor L.","A synthetic approach to heteroleptic Zn2Ln2 complexes featuring photoluminescence, antibacterial and anticancer properties","New Journal of Chemistry","2025","49","8","3236","3247","10.1039/D4NJ05283H","","","0.71073","MoKα","","0.059","0.0418","","","0.0949","0.1016","","","","","","1.062","","","","has coordinates","298999","2025-04-05","03:41:23",""
"7063622","11.593","0.004","12.012","0.005","16.849","0.006","88.419","0.006","70.048","0.006","80.18","0.006","2172","1.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H99 Eu2 F6 N5 O26 S2 Zn2 -","- C68 H99 Eu2 F6 N5 O26 S2 Zn2 -","- C68 H99 Eu2 F6 N5 O26 S2 Zn2 -","1","0.5","","Uvarova, Marina A.; Dolgushin, Fedor M.; Shender, Victoriya O.; Metlin, Mikhail T.; Metlina, Daria A.; Taydakov, Ilya V.; Bekker, Olga B.; Lutsenko, Irina A.; Eremenko, Igor L.","A synthetic approach to heteroleptic Zn2Ln2 complexes featuring photoluminescence, antibacterial and anticancer properties","New Journal of Chemistry","2025","49","8","3236","3247","10.1039/D4NJ05283H","","","0.71073","MoKα","","0.043","0.0321","","","0.0774","0.084","","","","","","1.019","","","","has coordinates,has disorder","298999","2025-04-05","03:41:23",""
"7063623","9.3947","0.0003","12.3486","0.0003","14.4715","0.0004","94.127","0.001","103.744","0.001","94.635","0.001","1618.23","0.08","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H36 N4 O4 -","- C37 H36 N4 O4 -","- C74 H72 N8 O8 -","2","1","","Khatun, Mohafuza; Mandal, Jayanta; Ganguly, Rajdeep; Barui, Ananya; Banerjee, Snehasis; Saha, Amrita","Derivative of clove oil used as a chemosensor for the colorimetric and fluorometric detection of Al3+: crystal structure description and live cell imaging","New Journal of Chemistry","2025","49","9","3724","3735","10.1039/D4NJ04724A","","","0.71073","MoKα","","0.0876","0.0726","","","0.2041","0.2183","","","","","","1.042","","","","has coordinates","299035","2025-04-05","03:50:35",""
"7063624","12.3361","0.0003","13.4925","0.0004","13.6587","0.0005","111.746","0.003","105.302","0.003","108.565","0.002","1803.7","0.13","120.01","0.1","120.01","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H84 Ag8 Cl2 O12 P6 S12 -","- C36 H84 Ag8 Cl2 O12 P6 S12 -","- C36 H84 Ag8 Cl2 O12 P6 S12 -","1","0.5","","Yousefshahi, Mohammad Reza; Neshat, Abdollah; Tahmasebi, Elham; Eigner, Vaclav; Dusek, Michal; Osanlou, Farzaneh","Generation of high nuclearity silver(i) and gold(i) species using simple N-heterocyclic carbene complexes","New Journal of Chemistry","2025","49","8","3328","3333","10.1039/D4NJ05260A","","x-ray","0.71073","MoKα","","0.0405","0.0319","","","0.0885","0.0927","","","","1.5417","1.5417","1.4786","","","","has coordinates,has disorder","298998","2025-04-05","03:41:14",""
"7063625","16.3739","0.0004","16.3739","0.0004","16.3739","0.0004","90","","90","","90","","4389.92","0.19","95","0.2","95","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C96 H192 Ag16 Cl11.83 F25 P4.17 S48 -","- C96 H192 Ag16 Cl11.832 F25.008 P4.168 S48 -","- C96 H192 Ag16 Cl11.832 F25.008 P4.168 S48 -","1","0.0416667","","Yousefshahi, Mohammad Reza; Neshat, Abdollah; Tahmasebi, Elham; Eigner, Vaclav; Dusek, Michal; Osanlou, Farzaneh","Generation of high nuclearity silver(i) and gold(i) species using simple N-heterocyclic carbene complexes","New Journal of Chemistry","2025","49","8","3328","3333","10.1039/D4NJ05260A","","x-ray","1.54184","CuKα","","0.0231","0.0223","","","0.0713","0.0722","","","","1.4579","1.4579","1.4574","","","","has coordinates,has disorder","298998","2025-04-05","03:41:14",""
"7063626","12.6419","0.0002","19.2428","0.0005","29.9587","0.0006","82.759","0.0019","88.688","0.0015","82.328","0.0018","7164.9","0.3","134.97","0.13","135","","","","","","","","","8","P -1","-P 1","2","","","","- C252 H372 Au10 F24 N16 O12 P10 S12 -","- C252 H372 Au10 F24 N16 O12 P10 S12 -","- C252 H372 Au10 F24 N16 O12 P10 S12 -","1","0.5","","Yousefshahi, Mohammad Reza; Neshat, Abdollah; Tahmasebi, Elham; Eigner, Vaclav; Dusek, Michal; Osanlou, Farzaneh","Generation of high nuclearity silver(i) and gold(i) species using simple N-heterocyclic carbene complexes","New Journal of Chemistry","2025","49","8","3328","3333","10.1039/D4NJ05260A","","x-ray","1.54184","CuKα","","0.0914","0.0418","","","0.0803","0.1035","","","","1.0697","1.0697","1.044","","","","has coordinates","298998","2025-04-05","03:41:14",""
"7063627","19.7798","0.0008","6.9614","0.0003","20.1643","0.0008","90","","90","","90","","2776.5","0.2","300","","300","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H24 B2 F4 N4 O9 -","- C24 H24 B2 F4 N4 O9 -","- C96 H96 B8 F16 N16 O36 -","4","1","","Shenoy, Ankitha M.; Fernandes, Premie P.; Lakshmi, Vellanki","Functionalized 1,3-dipyrrolyl-1,3-diketone difluoroboron complexes","New Journal of Chemistry","2025","49","10","3987","3996","10.1039/D4NJ04611K","","","0.71073","MoKα","","0.1171","0.0442","","","0.0983","0.1391","","","","","","1.072","","","","has coordinates,has disorder","298982","2025-04-05","03:35:41",""
"7063628","7.2469","0.0003","7.8596","0.0004","11.2611","0.0006","92.953","0.003","90.58","0.002","108.407","0.002","607.55","0.05","300","2","300","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H8 B F2 N3 O4 -","- C11 H8 B F2 N3 O4 -","- C22 H16 B2 F4 N6 O8 -","2","1","","Shenoy, Ankitha M.; Fernandes, Premie P.; Lakshmi, Vellanki","Functionalized 1,3-dipyrrolyl-1,3-diketone difluoroboron complexes","New Journal of Chemistry","2025","49","10","3987","3996","10.1039/D4NJ04611K","","","0.71073","MoKα","","0.1343","0.0551","","","0.1258","0.1629","","","","","","1.017","","","","has coordinates","298982","2025-04-05","03:35:42",""
"7063629","6.2914","0.0017","28.492","0.007","7.258","0.002","90","","114.975","0.016","90","","1179.4","0.6","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H2 F5 N7 O -","- C10 H2 F5 N7 O -","- C40 H8 F20 N28 O4 -","4","1","","Efanov, Daniil E.; Tolstikov, Svyatoslav E.; Romanenko, Galina V.; Letyagin, Gleb A.; Smirnova, Kristina A.; Chernavin, Platon A.; Veber, Sergey L.; Romashev, Nikolay F.; Osik, Natalya A.; Bogomyakov, Artem S.","Stable anion radicals based on a triazole-fused furazano[3,4-b]pyrazine scaffold","New Journal of Chemistry","2025","49","10","3869","3876","10.1039/D4NJ05188B","","","0.71073","MoKα","","0.131","0.037","","","0.0383","0.0514","","","","","","0.738","","","","has coordinates","298990","2025-04-05","03:39:15",""
"7063630","8.5924","0.0004","17.869","0.0007","18.4283","0.0008","90","","92.076","0.003","90","","2827.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H41 N8 O -","- C26 H41 N8 O -","- C104 H164 N32 O4 -","4","1","","Efanov, Daniil E.; Tolstikov, Svyatoslav E.; Romanenko, Galina V.; Letyagin, Gleb A.; Smirnova, Kristina A.; Chernavin, Platon A.; Veber, Sergey L.; Romashev, Nikolay F.; Osik, Natalya A.; Bogomyakov, Artem S.","Stable anion radicals based on a triazole-fused furazano[3,4-b]pyrazine scaffold","New Journal of Chemistry","2025","49","10","3869","3876","10.1039/D4NJ05188B","","","0.71073","MoKα","","0.1514","0.0548","","","0.1654","0.2326","","","","","","0.948","","","","has coordinates,has disorder","298990","2025-04-05","03:39:17",""
"7063631","10.4306","0.0006","20.1188","0.0012","14.4748","0.0009","90","","99.556","0.004","90","","2995.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8.67 H12 F1.67 N2.67 O0.33 -","- C8.66667 H12 F1.66667 N2.66667 O0.333333 -","- C104 H144 F20 N32 O4 -","12","3","","Efanov, Daniil E.; Tolstikov, Svyatoslav E.; Romanenko, Galina V.; Letyagin, Gleb A.; Smirnova, Kristina A.; Chernavin, Platon A.; Veber, Sergey L.; Romashev, Nikolay F.; Osik, Natalya A.; Bogomyakov, Artem S.","Stable anion radicals based on a triazole-fused furazano[3,4-b]pyrazine scaffold","New Journal of Chemistry","2025","49","10","3869","3876","10.1039/D4NJ05188B","","","0.71073","MoKα","","0.2075","0.0773","","","0.2248","0.3094","","","","","","0.999","","","","has coordinates,has disorder","298990","2025-04-05","03:39:17",""
"7063632","11.899","0.004","12.929","0.004","13.569","0.005","63.285","0.01","70.822","0.011","70.907","0.01","1720.9","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H41 Br N4 O3 -","- C38 H41 Br N4 O3 -","- C76 H82 Br2 N8 O6 -","2","1","","Das, Susmita; Das, Manik; Biswas, Raju; Das, Uttam Kumar; Laha, Soumik; Samanta, Bidhan Chandra; Choudhuri, Indranil; Bhattacharya, Nandan; Maity, Tithi","Fabrication of a novel AIE active chemosensor for selective detection of Pd(ii) and picric acid: extended detection in the HeLa cancer cell line","New Journal of Chemistry","2025","49","10","4021","4034","10.1039/D4NJ04935G","","","0.71073","MoKα","","0.1475","0.0922","","","0.2307","0.2625","","","","","","1.084","","","","has coordinates","298985","2025-04-05","03:36:11",""
"7063633","7.7139","0.0005","15.7197","0.0009","26.6782","0.0016","90","","90","","90","","3235","0.3","110","","110","","","","","","","","","3","I b c a","-I 2b 2c","73","","","","- C22 H18 S -","- C22 H18 S -","- C176 H144 S8 -","8","0.5","","K., Gaatha; Kumar, Sunil; Sharma, Ashutosh; Bhuvanesh, Nattamai; Roy, Partha; Joshi, Hemant","A trans-palladium dichloride complex with a bulky organosulfur ligand: syntheses, structure, and applications in catalytic alkylation of acetophenone and secondary alcohols using alcohols","New Journal of Chemistry","2025","49","10","3956","3968","10.1039/D4NJ04901B","","","0.71073","MoKα","","0.0608","0.0445","","","0.1107","0.1202","","","","","","1.03","","","","has coordinates","298983","2025-04-05","03:35:55",""
"7063634","21.9194","0.0007","6.1161","0.0002","26.6465","0.0009","90","","90.928","0.002","90","","3571.8","0.2","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Cl2 Pd S2 -","- C44 H36 Cl2 Pd S2 -","- C176 H144 Cl8 Pd4 S8 -","4","0.5","","K., Gaatha; Kumar, Sunil; Sharma, Ashutosh; Bhuvanesh, Nattamai; Roy, Partha; Joshi, Hemant","A trans-palladium dichloride complex with a bulky organosulfur ligand: syntheses, structure, and applications in catalytic alkylation of acetophenone and secondary alcohols using alcohols","New Journal of Chemistry","2025","49","10","3956","3968","10.1039/D4NJ04901B","","","1.54178","CuKα","","0.0251","0.0247","","","0.0672","0.0676","","","","","","1.065","","","","has coordinates","298983","2025-04-05","03:35:55",""
"7063635","9.876","0.0004","18.7017","0.0006","24.035","0.0007","90","","90","","90","","4439.2","0.3","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","mi401","","- C24 H25 Cu N3 O6 -","- C24 H25 Cu N3 O6 -","- C192 H200 Cu8 N24 O48 -","8","1","","Mantoo, Imtiyaz Ahmad; Prasad, Chandra Prakash; Yousuf, Imtiyaz","Evaluation of biomolecular interactions and in vitro cytotoxic activity of mononuclear and polymeric copper(ii)-based complexes against triple-negative breast cancer cells","New Journal of Chemistry","2025","49","8","3351","3364","10.1039/D4NJ04052J","","x-ray","0.71073","MoKα","","0.0546","0.0362","","","0.0847","0.0933","","","","","","1.015","","","","has coordinates","299001","2025-04-05","03:41:55",""
"7063636","9.7609","0.0002","11.0239","0.0002","11.6286","0.0002","85.11","0.001","71.355","0.001","87.375","0.001","1181.06","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 Cu N3 O7 -","- C25 H25 Cu N3 O7 -","- C50 H50 Cu2 N6 O14 -","2","1","","Mantoo, Imtiyaz Ahmad; Prasad, Chandra Prakash; Yousuf, Imtiyaz","Evaluation of biomolecular interactions and in vitro cytotoxic activity of mononuclear and polymeric copper(ii)-based complexes against triple-negative breast cancer cells","New Journal of Chemistry","2025","49","8","3351","3364","10.1039/D4NJ04052J","","x-ray","0.71073","MoKα","","0.0408","0.0344","","","0.0914","0.0945","","","","","","1.067","","","","has coordinates","299001","2025-04-05","03:41:56",""
"7063637","14.504","0.0007","17.0753","0.0009","19.3494","0.0013","94.638","0.005","99.617","0.005","97.997","0.004","4652.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H44 N4 O4 -","- C60 H44 N4 O4 -","- C240 H176 N16 O16 -","4","2","","Singh, Gurjaspreet; Markan, Pallavi; Kaur, Navneet; Gupta, Sofia; Tamana,; Malik, Pooja; Sahoo, Subash Chandra; Gill, Baljinder Singh; Baliyan, Deepanjali","Absorption and anti-bacterial studies of an acetylene-functionalized Schiff base for detection of Sn(ii) and inhibition of E. coli","New Journal of Chemistry","2025","49","10","4256","4267","10.1039/D4NJ04322G","","x-ray","0.71073","MoKα","","0.2835","0.0781","","","0.2932","0.4904","","","","","","0.873","","","","has coordinates","298988","2025-04-05","03:38:54",""
"7063638","10.2771","0.0004","10.795","0.0003","13.1138","0.0004","103.771","0.003","109.047","0.003","102.951","0.003","1261.45","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23.73 Cl2 N4 O2.87 Zn -","- C26 H23.728 Cl2 N4 O2.864 Zn -","- C52 H47.456 Cl4 N8 O5.728 Zn2 -","2","1","","Hasić, Rušid; Serezlić, Majda Kolenović; Caković, Angelina; Bogojeski, Jovana; Nikodijević, Danijela; Milutinović, Milena; Stanojević, Aleksandra; Čavić, Milena; Egorov, Andrei V.; Komolkin, Andrei V.; Kornyakov, Ilya V.; Scheurer, Andreas; Puchta, Ralph; Soldatović, Tanja V.","New bis-pyrazolate zinc(ii) complexes as potential anticancer drugs: from structure to anticancer activity","New Journal of Chemistry","2025","49","9","3617","3632","10.1039/D5NJ00043B","","x-ray","1.54184","CuKα","","0.0489","0.0398","","","0.1049","0.1117","","","","","","1.106","","","","has coordinates,has disorder","299034","2025-04-05","03:50:26",""
"7063639","10.0761","0.0004","11.1556","0.0005","11.5131","0.0004","67.436","0.003","84.168","0.003","75.427","0.004","1156.6","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H29.92 Cl2 N5 O2.46 Zn -","- C19 H29.918 Cl2 N5 O2.459 Zn -","- C38 H59.836 Cl4 N10 O4.918 Zn2 -","2","1","","Hasić, Rušid; Serezlić, Majda Kolenović; Caković, Angelina; Bogojeski, Jovana; Nikodijević, Danijela; Milutinović, Milena; Stanojević, Aleksandra; Čavić, Milena; Egorov, Andrei V.; Komolkin, Andrei V.; Kornyakov, Ilya V.; Scheurer, Andreas; Puchta, Ralph; Soldatović, Tanja V.","New bis-pyrazolate zinc(ii) complexes as potential anticancer drugs: from structure to anticancer activity","New Journal of Chemistry","2025","49","9","3617","3632","10.1039/D5NJ00043B","","x-ray","1.54184","CuKα","","0.037","0.0317","","","0.0767","0.0792","","","","","","1.068","","","","has coordinates,has disorder","299034","2025-04-05","03:50:26",""
"7063640","8.759","0.0005","20.1534","0.0014","12.8678","0.0006","90","","108.467","0.006","90","","2154.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 Ga N5 O9.5 -","- C18 H24 Ga N5 O8 -","- C72 H96 Ga4 N20 O32 -","4","1","","O’Callaghan, Charley; Greenacre, Victoria K.; Reid, Gillian","Di- and tri-valent metal complexes with tris-amide-functionalised 1,4,7-triazacyclononane chelators","New Journal of Chemistry","2025","49","10","4061","4071","10.1039/D4NJ05327C","","x-ray","0.71073","MoKα","","0.0856","0.0564","","","0.1462","0.1595","","","","","","1.0413","","","","has coordinates","298987","2025-04-05","03:38:36",""
"7063641","10.8001","0.0002","17.3514","0.0003","19.5643","0.0003","90","","96.185","0.002","90","","3644.95","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 Co N8 O11 -","- C32 H43 Co N8 O11 -","- C128 H172 Co4 N32 O44 -","4","1","","O’Callaghan, Charley; Greenacre, Victoria K.; Reid, Gillian","Di- and tri-valent metal complexes with tris-amide-functionalised 1,4,7-triazacyclononane chelators","New Journal of Chemistry","2025","49","10","4061","4071","10.1039/D4NJ05327C","","","0.71073","MoKα","","0.0642","0.0567","","","0.1634","0.1682","","","","","","1.071","","","","has coordinates,has disorder","298987","2025-04-05","03:38:37",""
"7063642","16.2195","0.0005","19.5074","0.0008","11.0872","0.0003","90","","95.999","0.003","90","","3488.8","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H42 N8 Ni O10.5 -","- C30 H36 N8 Ni O9 -","- C120 H144 N32 Ni4 O36 -","4","1","","O’Callaghan, Charley; Greenacre, Victoria K.; Reid, Gillian","Di- and tri-valent metal complexes with tris-amide-functionalised 1,4,7-triazacyclononane chelators","New Journal of Chemistry","2025","49","10","4061","4071","10.1039/D4NJ05327C","","","0.71073","MoKα","","0.0879","0.0549","","","0.1302","0.1439","","","","","","1.02","","","","has coordinates,has disorder","298987","2025-04-05","03:38:38",""
"7063643","17.7391","0.0007","11.523","0.0004","18.2239","0.0007","90","","119.134","0.005","90","","3253.8","0.3","99.9","0.2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H48.498 N8 Ni O9.249 -","- C24 H48.498 N8 Ni O9.249 -","- C96 H193.992 N32 Ni4 O36.996 -","4","1","","O’Callaghan, Charley; Greenacre, Victoria K.; Reid, Gillian","Di- and tri-valent metal complexes with tris-amide-functionalised 1,4,7-triazacyclononane chelators","New Journal of Chemistry","2025","49","10","4061","4071","10.1039/D4NJ05327C","","","0.71073","MoKα","","0.0827","0.0556","","","0.1245","0.1368","","","","","","1.0326","","","","has coordinates,has disorder","298987","2025-04-05","03:38:38",""
"7063644","16.4229","0.0003","10.9307","0.0002","17.9733","0.0003","90","","103.813","0.002","90","","3133.15","0.1","100","0.1","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Cu(1,4,7-tris-isopropylacrylamide-1,4,7-triazacyclononane)][NO3]2","","- C24 H48 Cu N8 O9 -","- C24 H48 Cu N8 O9 -","- C96 H192 Cu4 N32 O36 -","4","1","","O’Callaghan, Charley; Greenacre, Victoria K.; Reid, Gillian","Di- and tri-valent metal complexes with tris-amide-functionalised 1,4,7-triazacyclononane chelators","New Journal of Chemistry","2025","49","10","4061","4071","10.1039/D4NJ05327C","","","0.71073","MoKα","","0.0362","0.0244","","","0.0512","0.0559","","","","","","1.063","","","","has coordinates","298987","2025-04-05","03:38:38",""
"7063645","17.6146","0.0003","17.63","0.0003","20.0301","0.0003","85.355","0.001","80.554","0.001","60.327","0.002","5331.28","0.19","100","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C96 H124.5 Cu3 N24 O29.25 -","- C94 H118 Cu3 N24 O28 -","- C188 H236 Cu6 N48 O56 -","2","1","","O’Callaghan, Charley; Greenacre, Victoria K.; Reid, Gillian","Di- and tri-valent metal complexes with tris-amide-functionalised 1,4,7-triazacyclononane chelators","New Journal of Chemistry","2025","49","10","4061","4071","10.1039/D4NJ05327C","","","0.71073","MoKα","","0.0955","0.0578","","","0.1362","0.1537","","","","","","1.0385","","","","has coordinates,has disorder","298987","2025-04-05","03:38:38",""
"7063646","11.7259","0.0006","22.3057","0.0012","23.4333","0.0013","94.292","0.005","96.418","0.005","98.299","0.005","6001","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C144 H108 Cu9.98 N24 O166 P4 W44.02 -","- C144 H108 Cu9.984 N24 O166 P4 W44.016 -","- C144 H108 Cu9.984 N24 O166 P4 W44.016 -","1","0.5","","Zhang, Yixuan; Zhu, Maochun; Liu, Yifei; Bai, Xue; Zhang, Ange; Yang, Yanli; Li, Bin; Liu, Shuxia","Synthesis and sulfide oxidation catalytic activity of a copper monosubstituted Keggin-type polyoxometalate-based supramolecular compound","New Journal of Chemistry","2025","49","10","4191","4197","10.1039/D4NJ05286B","","x-ray","0.71073","MoKα","","0.1075","0.0551","","","0.0794","0.1011","","","","","","0.9","","","","has coordinates,has disorder","298989","2025-04-05","03:39:05",""
"7063647","11.5686","0.0002","9.5602","0.0002","29.2255","0.0005","90","","96.48","0.001","90","","3211.64","0.1","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16.5 H11.5 Cl2.5 N2 O3 -","- C16 H11 Cl N2 O3 -","- C128 H88 Cl8 N16 O24 -","8","2","","Xu, Jianxiong; Gong, Xue; Wu, Zhirui; Huang, Weimin; Li, Jizhen","Direct access to acylated quinoxalin-2(1H)-one N-oxides enabled by the Cu(i)/TBHP system","New Journal of Chemistry","2025","49","10","3843","3848","10.1039/D4NJ04823G","","","1.54178","CuKα","","0.0748","0.0546","","","0.1401","0.1527","","","","","","1.036","","","","has coordinates","298992","2025-04-05","03:39:52",""
"7063648","3.7946","0.0001","23.1642","0.0004","22.7365","0.0004","90","","94.721","0.001","90","","1991.73","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 N10 O19 -","- C42 H36 N10 O19 -","- C84 H72 N20 O38 -","2","0.5","","Maheswari, Ganesan; Elancheziyan, Mari; Harathi, Jonnagaddala; Raji, Atchudan; Ashamary, Francis; Mahaan, Ramalingam; Kalambate, Pramod K.; Lee, Hon Man; Rosenkranz, Andreas; Manoj, Devaraj","Self-assembled single-crystalline hydrogen-bonded frameworks: a potential metal-free molecule towards proton conductivity and electrochemical detection of organic and inorganic pollutants","New Journal of Chemistry","2025","49","10","4205","4217","10.1039/D4NJ05382F","","x-ray","1.54184","CuKα","","0.044","0.0386","","","0.1036","0.1072","","","","","","1.05","","","","has coordinates,has disorder","298984","2025-04-05","03:36:03",""
"7063649","10.9365","0.0005","7.9877","0.0003","19.0534","0.0009","90","","90.804","0.002","90","","1664.29","0.13","299","","299","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","","Behera, Pradyota Kumar; Pradhan, Amit Kumar; Rout, Laxmidhar","Practical synthesis of thio-cotarnine analogues","New Journal of Chemistry","2025","49","10","4119","4123","10.1039/D5NJ00005J","","","0.71073","MoKα","","0.084","0.0739","","","0.173","0.1827","","","","","","1.251","","","","has coordinates","298991","2025-04-05","03:39:43",""
"7063650","12.9596","0.0005","7.6809","0.0003","24.4062","0.001","90","","103.416","0.002","90","","2363.13","0.16","258","","258","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 Br N2 O5 -","- C25 H25 Br N2 O5 -","- C100 H100 Br4 N8 O20 -","4","2","","Wang, Xin-Ru; Zhang, Yingying","Asymmetric synthesis of axially chiral N,N′-carbazolepyrrole via copper-catalyzed Friedel–Crafts reaction","New Journal of Chemistry","2025","49","10","3849","3854","10.1039/D5NJ00200A","","","1.34139","GaKα","","0.088","0.0767","","","0.2132","0.2269","","","","","","1.063","","","","has coordinates","298993","2025-04-05","03:40:00",""
"7063651","10.6165","0.0005","17.4365","0.0009","7.7037","0.0004","90","","90.31","0.001","90","","1426.05","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cu F6 N2 O6 -","- C30 H26 Cu F6 N2 O6 -","- C60 H52 Cu2 F12 N4 O12 -","2","0.5","","Moreno-Narváez, María Esther; Arenaza-Corona, Antonino; González-Sebastián, Lucero; Ramírez, Teresa Apan; Ortega, Simón Hernández; Cruz-Navarro, J. Antonio; Alí-Torres, Jorge; Orjuela, Adrián L.; Reyes-Marquez, Viviana; Lomas-Romero, Leticia; Morales-Morales, David","Glycoconjugate Pd(ii) and Cu(ii) complexes of fluorinated N,O Schiff base ligands for targeted cancer therapy: synthesis, characterization and in vitro cytotoxic activity evaluation","New Journal of Chemistry","2025","49","13","5187","5199","10.1039/D4NJ05181E","","","0.71073","MoKα","","0.0284","0.025","","","0.065","0.0668","","","","","","1.097","","","","has coordinates","299024","2025-04-05","03:47:09",""
"7063652","8.0842","0.0003","9.5538","0.0004","10.0498","0.0004","95.329","0.002","103.084","0.001","106.109","0.001","716.24","0.05","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 Cu F6 N2 O6 -","- C30 H26 Cu F6 N2 O6 -","- C30 H26 Cu F6 N2 O6 -","1","0.5","","Moreno-Narváez, María Esther; Arenaza-Corona, Antonino; González-Sebastián, Lucero; Ramírez, Teresa Apan; Ortega, Simón Hernández; Cruz-Navarro, J. Antonio; Alí-Torres, Jorge; Orjuela, Adrián L.; Reyes-Marquez, Viviana; Lomas-Romero, Leticia; Morales-Morales, David","Glycoconjugate Pd(ii) and Cu(ii) complexes of fluorinated N,O Schiff base ligands for targeted cancer therapy: synthesis, characterization and in vitro cytotoxic activity evaluation","New Journal of Chemistry","2025","49","13","5187","5199","10.1039/D4NJ05181E","","","0.71073","MoKα","","0.0716","0.0546","","","0.0819","0.0879","","","","","","1.177","","","","has coordinates","299024","2025-04-05","03:47:09",""
"7063653","5.0357","0.0002","13.5619","0.0006","8.9397","0.0005","90","","92.914","0.004","90","","609.74","0.05","298","2","298","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C28 H20 F6 N2 O4 -","2","1","","Moreno-Narváez, María Esther; Arenaza-Corona, Antonino; González-Sebastián, Lucero; Ramírez, Teresa Apan; Ortega, Simón Hernández; Cruz-Navarro, J. Antonio; Alí-Torres, Jorge; Orjuela, Adrián L.; Reyes-Marquez, Viviana; Lomas-Romero, Leticia; Morales-Morales, David","Glycoconjugate Pd(ii) and Cu(ii) complexes of fluorinated N,O Schiff base ligands for targeted cancer therapy: synthesis, characterization and in vitro cytotoxic activity evaluation","New Journal of Chemistry","2025","49","13","5187","5199","10.1039/D4NJ05181E","","","1.54178","CuKα","","0.1462","0.1068","","","0.1706","0.1958","","","","","","1.156","","","","has coordinates,has disorder","299024","2025-04-05","03:47:09",""
"7063654","10.3191","0.0002","11.0834","0.0002","13.8263","0.0003","90.854","0.001","97.384","0.001","94.296","0.001","1563.32","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H30 Cu F6 N2 O7 -","- C31 H30 Cu F6 N2 O7 -","- C62 H60 Cu2 F12 N4 O14 -","2","1","","Moreno-Narváez, María Esther; Arenaza-Corona, Antonino; González-Sebastián, Lucero; Ramírez, Teresa Apan; Ortega, Simón Hernández; Cruz-Navarro, J. Antonio; Alí-Torres, Jorge; Orjuela, Adrián L.; Reyes-Marquez, Viviana; Lomas-Romero, Leticia; Morales-Morales, David","Glycoconjugate Pd(ii) and Cu(ii) complexes of fluorinated N,O Schiff base ligands for targeted cancer therapy: synthesis, characterization and in vitro cytotoxic activity evaluation","New Journal of Chemistry","2025","49","13","5187","5199","10.1039/D4NJ05181E","","","0.71073","MoKα","","0.0336","0.0316","","","0.0822","0.0837","","","","","","1.046","","","","has coordinates","299024","2025-04-05","03:47:09",""
"7063655","22.6984","0.0009","18.0698","0.0006","8.4984","0.0003","90","","90","","90","","3485.7","0.2","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H30 F6 N2 O6 Pd S2 -","- C32 H30 F6 N2 O6 Pd S2 -","- C128 H120 F24 N8 O24 Pd4 S8 -","4","0.5","","Moreno-Narváez, María Esther; Arenaza-Corona, Antonino; González-Sebastián, Lucero; Ramírez, Teresa Apan; Ortega, Simón Hernández; Cruz-Navarro, J. Antonio; Alí-Torres, Jorge; Orjuela, Adrián L.; Reyes-Marquez, Viviana; Lomas-Romero, Leticia; Morales-Morales, David","Glycoconjugate Pd(ii) and Cu(ii) complexes of fluorinated N,O Schiff base ligands for targeted cancer therapy: synthesis, characterization and in vitro cytotoxic activity evaluation","New Journal of Chemistry","2025","49","13","5187","5199","10.1039/D4NJ05181E","","","0.71073","MoKα","","0.0942","0.0506","","","0.0801","0.0952","","","","","","1.07","","","","has coordinates","299024","2025-04-05","03:47:09",""
"7063656","8.5108","0.0001","13.3009","0.0002","22.1012","0.0003","90","","90","","90","","2501.88","0.06","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C112 H80 F24 N8 O16 -","8","1","","Moreno-Narváez, María Esther; Arenaza-Corona, Antonino; González-Sebastián, Lucero; Ramírez, Teresa Apan; Ortega, Simón Hernández; Cruz-Navarro, J. Antonio; Alí-Torres, Jorge; Orjuela, Adrián L.; Reyes-Marquez, Viviana; Lomas-Romero, Leticia; Morales-Morales, David","Glycoconjugate Pd(ii) and Cu(ii) complexes of fluorinated N,O Schiff base ligands for targeted cancer therapy: synthesis, characterization and in vitro cytotoxic activity evaluation","New Journal of Chemistry","2025","49","13","5187","5199","10.1039/D4NJ05181E","","","1.54178","CuKα","","0.1054","0.0778","","","0.1255","0.1397","","","","","","1.225","","","","has coordinates","299024","2025-04-05","03:47:09",""
"7063657","11.887","0.009","13.769","0.012","10.301","0.008","90","","95.23","0.03","90","","1679","2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 F6 N2 O6 Pd -","- C34 H30 F6 N2 O6 Pd -","- C68 H60 F12 N4 O12 Pd2 -","2","0.5","","Moreno-Narváez, María Esther; Arenaza-Corona, Antonino; González-Sebastián, Lucero; Ramírez, Teresa Apan; Ortega, Simón Hernández; Cruz-Navarro, J. Antonio; Alí-Torres, Jorge; Orjuela, Adrián L.; Reyes-Marquez, Viviana; Lomas-Romero, Leticia; Morales-Morales, David","Glycoconjugate Pd(ii) and Cu(ii) complexes of fluorinated N,O Schiff base ligands for targeted cancer therapy: synthesis, characterization and in vitro cytotoxic activity evaluation","New Journal of Chemistry","2025","49","13","5187","5199","10.1039/D4NJ05181E","","","0.71073","MoKα","","0.1186","0.0793","","","0.1399","0.1666","","","","","","1.145","","","","has coordinates","299024","2025-04-05","03:47:09",""
"7063658","17.7063","0.0005","11.4094","0.0003","8.6419","0.0002","90","","99.939","0.001","90","","1719.62","0.08","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 F6 N2 O6 Pd S2 -","- C32 H30 F6 N2 O6 Pd S2 -","- C64 H60 F12 N4 O12 Pd2 S4 -","2","0.5","","Moreno-Narváez, María Esther; Arenaza-Corona, Antonino; González-Sebastián, Lucero; Ramírez, Teresa Apan; Ortega, Simón Hernández; Cruz-Navarro, J. Antonio; Alí-Torres, Jorge; Orjuela, Adrián L.; Reyes-Marquez, Viviana; Lomas-Romero, Leticia; Morales-Morales, David","Glycoconjugate Pd(ii) and Cu(ii) complexes of fluorinated N,O Schiff base ligands for targeted cancer therapy: synthesis, characterization and in vitro cytotoxic activity evaluation","New Journal of Chemistry","2025","49","13","5187","5199","10.1039/D4NJ05181E","","","0.71073","MoKα","","0.0482","0.0337","","","0.0723","0.08","","","","","","1.045","","","","has coordinates,has disorder","299024","2025-04-05","03:47:09",""
"7063659","6.129","0.002","15.814","0.006","11.441","0.004","90","","102.8","0.014","90","","1081.4","0.7","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N10 Ni -","- C24 H20 N10 Ni -","- C48 H40 N20 Ni2 -","2","0.5","","Dolai, Malay; Saha, Urmila; Goswami, Juli Nanda; Bhattacharya, Biswajit; Emmerling, Franziska; Ifseisi, Ahmad A.; Biswas, Surajit","Nickel(ii)-mediated in situ complex formation with unexpected ligand transformations: crystal structures, DFT calculations, and catalytic activity in CO2 fixation reactions","New Journal of Chemistry","2025","49","11","4451","4463","10.1039/D4NJ01801J","","","0.71073","MoKα","","0.0403","0.0295","","","0.0632","0.0695","","","","","","1.07","","","","has coordinates","299040","2025-04-05","03:51:52",""
"7063660","21.354","0.003","10.5144","0.0013","21.722","0.003","90","","103.013","0.005","90","","4751.9","1.1","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33.44 H46.88 Cl4 N18 Ni2 O11 -","- C33.438 H46.876 Cl4 N18 Ni2 O11 -","- C133.752 H187.504 Cl16 N72 Ni8 O44 -","4","0.5","","Dolai, Malay; Saha, Urmila; Goswami, Juli Nanda; Bhattacharya, Biswajit; Emmerling, Franziska; Ifseisi, Ahmad A.; Biswas, Surajit","Nickel(ii)-mediated in situ complex formation with unexpected ligand transformations: crystal structures, DFT calculations, and catalytic activity in CO2 fixation reactions","New Journal of Chemistry","2025","49","11","4451","4463","10.1039/D4NJ01801J","","","0.71073","MoKα","","0.051","0.0408","","","0.1121","0.12","","","","","","1.059","","","","has coordinates,has disorder","299040","2025-04-05","03:51:53",""
"7063661","8.7072","0.0003","9.4954","0.0004","22.8387","0.001","84.987","0.002","80.985","0.002","67.538","0.002","1722.67","0.12","297","2","297","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H28 Cl N Ni O5 P2 -","- C39 H28 Cl N Ni O5 P2 -","- C78 H56 Cl2 N2 Ni2 O10 P4 -","2","1","","Amaya-Flórez, Andrés; Serrano-García, Juan S.; Ruiz-Galindo, Jordi; Arenaza-Corona, Antonino; Hernández-Ortega, Simón; Orjuela, Adrián L.; Alí-Torres, Jorge; Flores-Alamo, Marcos; Reyes-Márquez, Viviana; Morales-Morales, David","N-(Methyl)phthalimide para functionalized Ni(ii)–POCOP pincer complexes. Synthesis, characterization and biological activity","New Journal of Chemistry","2025","49","13","5173","5186","10.1039/D4NJ05183A","","","0.71073","MoKα","","0.0642","0.0459","","","0.0905","0.0982","","","","","","1.088","","","","has coordinates","299020","2025-04-05","03:45:56",""
"7063662","8.2574","0.0004","11.528","0.0008","15.9268","0.0008","89.739","0.005","76.201","0.005","76.225","0.005","1427.79","0.15","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H36 Cl N Ni O5 P2 -","- C27 H36 Cl N Ni O5 P2 -","- C54 H72 Cl2 N2 Ni2 O10 P4 -","2","1","","Amaya-Flórez, Andrés; Serrano-García, Juan S.; Ruiz-Galindo, Jordi; Arenaza-Corona, Antonino; Hernández-Ortega, Simón; Orjuela, Adrián L.; Alí-Torres, Jorge; Flores-Alamo, Marcos; Reyes-Márquez, Viviana; Morales-Morales, David","N-(Methyl)phthalimide para functionalized Ni(ii)–POCOP pincer complexes. Synthesis, characterization and biological activity","New Journal of Chemistry","2025","49","13","5173","5186","10.1039/D4NJ05183A","","","0.71073","MoKα","","0.0539","0.0368","","","0.0792","0.0905","","","","","","1.083","","","","has coordinates","299020","2025-04-05","03:45:57",""
"7063663","8.0054","0.0004","27.8419","0.0012","14.9413","0.0007","90","","103.937","0.005","90","","3232.2","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 Cl N Ni O5 P2 -","- C31 H44 Cl N Ni O5 P2 -","- C124 H176 Cl4 N4 Ni4 O20 P8 -","4","1","","Amaya-Flórez, Andrés; Serrano-García, Juan S.; Ruiz-Galindo, Jordi; Arenaza-Corona, Antonino; Hernández-Ortega, Simón; Orjuela, Adrián L.; Alí-Torres, Jorge; Flores-Alamo, Marcos; Reyes-Márquez, Viviana; Morales-Morales, David","N-(Methyl)phthalimide para functionalized Ni(ii)–POCOP pincer complexes. Synthesis, characterization and biological activity","New Journal of Chemistry","2025","49","13","5173","5186","10.1039/D4NJ05183A","","","0.71073","MoKα","","0.0532","0.0389","","","0.0799","0.088","","","","","","1.054","","","","has coordinates","299020","2025-04-05","03:45:57",""
"7063664","16.087","0.002","11.8579","0.0014","9.183","0.0011","90","","94.929","0.004","90","","1745.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F N O4 S2 -","- C18 H14 F N O4 S2 -","- C72 H56 F4 N4 O16 S8 -","4","1","","Santhosh, Chikkappaiahnayaka; Singh, Krishna Ravi; Mane, Manoj V.; Sheela, Kalleshappa; Sharath, Kalleshappa; Sadashiva, Maralinganadoddi P.","Base-promoted regioselective synthesis of alkyl (2-tosyl/4-ethylcarbonyl) thiazole-5-carboxylates employing dithioates and active methylene isocyanides","New Journal of Chemistry","2025","49","11","4604","4614","10.1039/D4NJ04515G","","","0.71073","MoKα","","0.106","0.0899","","","0.1854","0.1921","","","","","","1.233","","","","has coordinates","299037","2025-04-05","03:51:01",""
"7063665","13.765","0.0007","7.5431","0.0004","15.3707","0.0009","90","","104.898","0.002","90","","1542.3","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl N O4 S -","- C14 H12 Cl N O4 S -","- C56 H48 Cl4 N4 O16 S4 -","4","1","","Santhosh, Chikkappaiahnayaka; Singh, Krishna Ravi; Mane, Manoj V.; Sheela, Kalleshappa; Sharath, Kalleshappa; Sadashiva, Maralinganadoddi P.","Base-promoted regioselective synthesis of alkyl (2-tosyl/4-ethylcarbonyl) thiazole-5-carboxylates employing dithioates and active methylene isocyanides","New Journal of Chemistry","2025","49","11","4604","4614","10.1039/D4NJ04515G","","","0.71073","MoKα","","0.084","0.0634","","","0.1764","0.2114","","","","","","1.129","","","","has coordinates","299037","2025-04-05","03:51:01",""
"7063666","13.9644","0.0012","7.8387","0.0004","19.9931","0.0014","90","","94.284","0.004","90","","2182.4","0.3","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 Ni O5 -","- C24 H30 N2 Ni O5 -","- C96 H120 N8 Ni4 O20 -","4","1","","Jana, Narayan Ch.; Das, Mainak; Brandão, Paula; Ortega-Castro, Joaquín; Frontera, Antonio; Ray, Partha Pratim; Panja, Anangamohan","Impact of isomeric ligands on molecular stacking and semiconducting behavior in square planar Ni(ii) complexes","New Journal of Chemistry","2025","49","11","4557","4570","10.1039/D5NJ00020C","","","0.71073","MoKα","","0.0395","0.032","","","0.0779","0.0816","","","","","","1.047","","","","has coordinates","299039","2025-04-05","03:51:23",""
"7063667","11.3463","0.0007","16.1675","0.0009","24.1553","0.0015","90","","91.281","0.002","90","","4430","0.5","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N2 Ni O5 -","- C24 H30 N2 Ni O5 -","- C192 H240 N16 Ni8 O40 -","8","2","","Jana, Narayan Ch.; Das, Mainak; Brandão, Paula; Ortega-Castro, Joaquín; Frontera, Antonio; Ray, Partha Pratim; Panja, Anangamohan","Impact of isomeric ligands on molecular stacking and semiconducting behavior in square planar Ni(ii) complexes","New Journal of Chemistry","2025","49","11","4557","4570","10.1039/D5NJ00020C","","","0.71073","MoKα","","0.0555","0.0394","","","0.0937","0.102","","","","","","1.067","","","","has coordinates","299039","2025-04-05","03:51:24",""
"7063668","6.2488","0.0009","8.9759","0.0012","14.662","0.002","72.625","0.005","79.192","0.005","71.413","0.004","740.02","0.18","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 B2 F4 N4 -","- C34 H36 B2 F4 N4 -","- C34 H36 B2 F4 N4 -","1","0.5","","Zhao, Tingting; A., Suru; Ma, Yurong; Wang, Nan; Su, Zhongmin; Liu, Fangbin","Organoboron emitters with narrowband thermally activated delayed fluorescence for doped organic light emitting diodes","New Journal of Chemistry","2025","49","10","4035","4041","10.1039/D4NJ05279J","","","1.34139","GaKα","","0.0865","0.0695","","","0.1878","0.2013","","","","","","1.092","","","","has coordinates","298986","2025-04-05","03:36:19",""
"7063669","9.78624","0.00014","14.74804","0.00017","10.33498","0.00015","90","","114.746","0.0018","90","","1354.65","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C56 H56 O24 -","4","1","","Kumari, Sanju; Saini, Vaishali; Chakrabarty, Sanheeta; Kumar, Sanjay; Jha, Hem Chandra; Ronickom, Jac Fredo Agastinose; Kumar, Sanjeev; Jain, Shreyans K.","Combined prioritization and dereplication-based rapid identification of new 8-alkylated coumarins: podurins A and B from the leaves of Murraya paniculata and cytotoxic evaluation","New Journal of Chemistry","2025","49","12","4842","4848","10.1039/D4NJ05468G","","x-ray","1.54184","CuKα","","0.0649","0.0599","","","0.1786","0.1851","","","","","","1.082","","","","has coordinates","299044","2025-04-05","03:52:28",""
"7063670","6.7946","0.0001","9.8825","0.0001","22.9394","0.0003","90","","90","","90","","1540.33","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O5 -","- C17 H22 O5 -","- C68 H88 O20 -","4","1","","Kumari, Sanju; Saini, Vaishali; Chakrabarty, Sanheeta; Kumar, Sanjay; Jha, Hem Chandra; Ronickom, Jac Fredo Agastinose; Kumar, Sanjeev; Jain, Shreyans K.","Combined prioritization and dereplication-based rapid identification of new 8-alkylated coumarins: podurins A and B from the leaves of Murraya paniculata and cytotoxic evaluation","New Journal of Chemistry","2025","49","12","4842","4848","10.1039/D4NJ05468G","","x-ray","1.54184","CuKα","","0.0611","0.0566","","","0.1909","0.1984","","","","","","1.084","","","","has coordinates","299044","2025-04-05","03:52:28",""
"7063671","21.051","0.006","10.1465","0.0009","13.0494","0.0009","90","","111.09","0.009","90","","2600.6","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 In2 N4 O2 -","- C28 H30 In2 N4 O2 -","- C112 H120 In8 N16 O8 -","4","0.5","","Ershova, Irina V.; Baryshnikova, Svetlana V.; Arsenyev, Maxim V.; Belikov, Alexey A.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Ilichev, Vasily A.; Ketkov, Sergey Yu.; Piskunov, Alexandr V.","Luminescent indium complexes with ONN-donor Schiff bases: syntheses, structures, and DFT investigations","New Journal of Chemistry","2025","49","12","4933","4942","10.1039/D4NJ04755A","","","0.75268","synchrotron","","0.0566","0.0503","","","0.1394","0.144","","","","","","1.096","","","","has coordinates","299041","2025-04-05","03:52:03",""
"7063672","7.9004","0.0019","8.4003","0.0017","11.382","0.003","77.261","0.005","82.036","0.018","89.638","0.019","729.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 In2 N6 O6 -","- C28 H28 In2 N6 O6 -","- C28 H28 In2 N6 O6 -","1","0.5","","Ershova, Irina V.; Baryshnikova, Svetlana V.; Arsenyev, Maxim V.; Belikov, Alexey A.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Ilichev, Vasily A.; Ketkov, Sergey Yu.; Piskunov, Alexandr V.","Luminescent indium complexes with ONN-donor Schiff bases: syntheses, structures, and DFT investigations","New Journal of Chemistry","2025","49","12","4933","4942","10.1039/D4NJ04755A","","","0.75268","synchrotron","","0.0458","0.0378","","","0.0888","0.0924","","","","","","1.045","","","","has coordinates","299041","2025-04-05","03:52:04",""
"7063673","8.6219","0.0005","17.4483","0.0011","9.7888","0.0006","90","","102.362","0.002","90","","1438.46","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 In2 N4 O2 -","- C30 H34 In2 N4 O2 -","- C60 H68 In4 N8 O4 -","2","0.5","","Ershova, Irina V.; Baryshnikova, Svetlana V.; Arsenyev, Maxim V.; Belikov, Alexey A.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Ilichev, Vasily A.; Ketkov, Sergey Yu.; Piskunov, Alexandr V.","Luminescent indium complexes with ONN-donor Schiff bases: syntheses, structures, and DFT investigations","New Journal of Chemistry","2025","49","12","4933","4942","10.1039/D4NJ04755A","","","0.71073","MoKα","","0.0515","0.0332","","","0.0571","0.0635","","","","","","1.038","","","","has coordinates","299041","2025-04-05","03:52:04",""
"7063674","8.5866","0.0002","17.1574","0.0005","9.9567","0.0003","90","","102.387","0.001","90","","1432.71","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cl2 In2 N4 O2 -","- C28 H28 Cl2 In2 N4 O2 -","- C56 H56 Cl4 In4 N8 O4 -","2","0.5","","Ershova, Irina V.; Baryshnikova, Svetlana V.; Arsenyev, Maxim V.; Belikov, Alexey A.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Ilichev, Vasily A.; Ketkov, Sergey Yu.; Piskunov, Alexandr V.","Luminescent indium complexes with ONN-donor Schiff bases: syntheses, structures, and DFT investigations","New Journal of Chemistry","2025","49","12","4933","4942","10.1039/D4NJ04755A","","","0.71073","MoKα","","0.0256","0.02","","","0.0467","0.0484","","","","","","1.066","","","","has coordinates","299041","2025-04-05","03:52:04",""
"7063675","13.302","0.004","5.6532","0.0015","21.875","0.007","90","","103.777","0.009","90","","1597.6","0.8","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Sharma, Sachin; Kanwar, Nikita; Khan, Akram Gulam Hussain; Easwar, Srinivasan","Access to isolable cyclic dienamines and N-aryl-2-aminobenzophenones from Morita–Baylis–Hillman ketones","New Journal of Chemistry","2025","49","11","4639","4646","10.1039/D5NJ00182J","","","0.71073","MoKα","","0.0915","0.0702","","","0.1719","0.1887","","","","","","1.117","","","","has coordinates","299038","2025-04-05","03:51:10",""
"7063676","7.6821","0.0005","7.3014","0.0006","16.2751","0.0003","90","","98.736","0.001","90","","902.28","0.1","296","1","296","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H14 Fe N6 O2 Pd -","- C16 H14 Fe N6 O2 Pd -","- C32 H28 Fe2 N12 O4 Pd2 -","2","1","","Vázquez, M. C.; Avila, Y.; Sánchez, L.; Ortiz, A.; Piedra, O.; González, M.; Ávila, M.; Reguera, E.","Spin crossover in the Fe(3PyMe)2[M(CN)4] series with M = Ni, Pd, Pt, and 3PyMe = 3-pyridinemethanol. The role of the intermolecular OH⋯OH interaction","New Journal of Chemistry","2025","49","12","4943","4949","10.1039/D5NJ00335K","powder diffraction","","1.5418","CuKα","","","","","","","","","2.9452","1.736","","","","","","","has coordinates","299043","2025-04-05","03:52:20",""
"7063677","7.6869","0.0004","7.2881","0.0001","16.2866","0.0003","90","","99.433","0.005","90","","900.08","0.05","296","1","296","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H14 Fe N6 O2 Pt -","- C16 H14 Fe N6 O2 Pt -","- C32 H28 Fe2 N12 O4 Pt2 -","2","1","","Vázquez, M. C.; Avila, Y.; Sánchez, L.; Ortiz, A.; Piedra, O.; González, M.; Ávila, M.; Reguera, E.","Spin crossover in the Fe(3PyMe)2[M(CN)4] series with M = Ni, Pd, Pt, and 3PyMe = 3-pyridinemethanol. The role of the intermolecular OH⋯OH interaction","New Journal of Chemistry","2025","49","12","4943","4949","10.1039/D5NJ00335K","powder diffraction","","1.5418","CuKα","","","","","","","","","2.7923","1.723","","","","","","","has coordinates","299043","2025-04-05","03:52:20",""
"7063678","7.2527","0.0005","7.2809","0.0001","16.1197","0.0004","90","","91.53","0.006","90","","850.92","0.06","296","1","296","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H14 Fe N6 Ni O2 -","- C16 H14 Fe N6 Ni O2 -","- C32 H28 Fe2 N12 Ni2 O4 -","2","1","","Vázquez, M. C.; Avila, Y.; Sánchez, L.; Ortiz, A.; Piedra, O.; González, M.; Ávila, M.; Reguera, E.","Spin crossover in the Fe(3PyMe)2[M(CN)4] series with M = Ni, Pd, Pt, and 3PyMe = 3-pyridinemethanol. The role of the intermolecular OH⋯OH interaction","New Journal of Chemistry","2025","49","12","4943","4949","10.1039/D5NJ00335K","powder diffraction","","1.5418","CuKα","","","","","","","","","4.159","1.714","","","","","","","has coordinates","299043","2025-04-05","03:52:20",""
"7063679","33.974","0.008","5.0398","0.001","38.358","0.009","90","","104.711","0.005","90","","6352","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H41 N5 O3 S2 -","- C33 H41 N5 O3 S2 -","- C264 H328 N40 O24 S16 -","8","1","","Pan, Cheng-Yen; Grinalds, Nathan J.; Ghiviriga, Ion; Abboud, Khalil A.; Xue, Jiangeng; Castellano, Ronald K.","Diagnosing the role of hydrogen bonding in the organization, aggregation, and optical properties of phthalhydrazide-functionalized molecules in solution and solid state","New Journal of Chemistry","2025","49","13","5330","5345","10.1039/D4NJ05529B","","","0.71073","MoKα","","0.0604","0.0561","","","0.1473","0.1552","","","","","","1.057","","","","has coordinates,has disorder","299021","2025-04-05","03:46:08",""
"7063680","7.6216","0.0003","8.5476","0.0003","10.8555","0.0003","90","","100.2","0.003","90","","696.02","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 N4 O6 -","- C12 H12 N4 O6 -","- C24 H24 N8 O12 -","2","1","","Naaz, Farha; Khan, Ishaat M.; Shakya, Sonam; Islam, Maidul; Alam, Nisat; Alarifi, Abdullah; Li, Xiang","Spectrophotometric and computational insights into the 2-ethylimidazole–3,5-dinitrobenzoic acid complex: BSA interaction and antimicrobial activity","New Journal of Chemistry","2025","49","13","5402","5419","10.1039/D5NJ00346F","","","0.71073","MoKα","","0.0497","0.0371","","","0.0665","0.0731","","","","","","1.0862","","","","has coordinates","299023","2025-04-05","03:46:43",""
"7063681","15.229","0.005","5.3345","0.0015","23.556","0.006","90","","90","","90","","1913.7","1","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-((3,4-dinitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole","","- C6 H4 N6 O5 -","- C6 H4 N6 O5 -","- C48 H32 N48 O40 -","8","2","","Zhang, Tongwei; Yuan, Xiaofeng; Xu, Ze; Lu, Ming; Xu, Yuangang","Derivatives of 2-(3,4-dinitro-1H-pyrazol-1-yl) acetonitrile: design strategy, syntheses, and properties of a series of new melt-cast explosives","New Journal of Chemistry","2025","49","12","5031","5040","10.1039/D4NJ05467A","","","0.71073","MoKα","","0.1356","0.0651","","","0.1354","0.1572","","","","","","1.034","","","","has coordinates","299042","2025-04-05","03:52:12",""
"7063682","6.7014","0.0003","7.475","0.0004","11.2966","0.0005","97.876","0.002","104.754","0.002","107.211","0.002","508.71","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5-((3,4-dinitro-1H-pyrazol-1-yl)methyl)-2-methyl-2H-tetrazole","","- C6 H6 N8 O4 -","- C6 H6 N8 O4 -","- C12 H12 N16 O8 -","2","1","","Zhang, Tongwei; Yuan, Xiaofeng; Xu, Ze; Lu, Ming; Xu, Yuangang","Derivatives of 2-(3,4-dinitro-1H-pyrazol-1-yl) acetonitrile: design strategy, syntheses, and properties of a series of new melt-cast explosives","New Journal of Chemistry","2025","49","12","5031","5040","10.1039/D4NJ05467A","","","0.71073","MoKα","","0.057","0.0423","","","0.102","0.1104","","","","","","1.033","","","","has coordinates","299042","2025-04-05","03:52:13",""
"7063683","8.8436","0.0005","8.0309","0.0005","15.9838","0.001","90","","95.681","0.002","90","","1129.63","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-((3,4-dinitro-1H-pyrazol-1-yl)methyl)-5-(trifluoromethyl)-1,2,4-oxadiazole","","- C7 H3 F3 N6 O5 -","- C7 H3 F3 N6 O5 -","- C28 H12 F12 N24 O20 -","4","1","","Zhang, Tongwei; Yuan, Xiaofeng; Xu, Ze; Lu, Ming; Xu, Yuangang","Derivatives of 2-(3,4-dinitro-1H-pyrazol-1-yl) acetonitrile: design strategy, syntheses, and properties of a series of new melt-cast explosives","New Journal of Chemistry","2025","49","12","5031","5040","10.1039/D4NJ05467A","","","0.71073","MoKα","","0.0824","0.0531","","","0.1401","0.1567","","","","","","1.03","","","","has coordinates","299042","2025-04-05","03:52:13",""
"7063684","7.117","0.0003","16.0841","0.0007","16.6316","0.0007","90","","90","","90","","1903.83","0.14","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N3 O3 -","- C21 H25 N3 O3 -","- C84 H100 N12 O12 -","4","1","","Yang, Lan-Lan; Pan, Di-Cheng; Zhu, Xian-Qiao; Liu, De-Wu; Tang, Xing-Zhou; Cen, Hong-Xing; Peng, Li-Jun; Liu, Xiong-Li","Mantis-shaped chiral pyridine-N-oxides: a new class of ligands in asymmetric palladium(ii)-catalysed Friedel–Crafts alkylation","New Journal of Chemistry","2025","49","13","5346","5351","10.1039/D5NJ00294J","","","1.54178","CuKα","","0.051","0.0477","","","0.1211","0.1232","","","","","","1.151","","","","has coordinates","299025","2025-04-05","03:47:18",""
"7063685","24.46","0.002","11.1429","0.0008","11.7925","0.0009","90","","117.362","0.004","90","","2854.5","0.4","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cu2 F2 N4 O13 -","- C24 H32 Cu2 F2 N4 O13 -","- C96 H128 Cu8 F8 N16 O52 -","4","0.5","","Manurkar, Nagesh; Ilyas, Mubashar; Arshad, Faiza; Patil, Prasanna; Shah, Haroon; Khan, Maroof Ahmad; Hussain, Wajid; Li, Hui","Exploring the first and second hyperpolarizabilities of l-glutamine-based Schiff base ligands and their Cu(ii) coordination complexes","New Journal of Chemistry","2025","49","13","5200","5212","10.1039/D5NJ00477B","","","0.71073","MoKα","","0.0879","0.0446","","","0.093","0.1078","","","","","","0.987","","","","has coordinates","299022","2025-04-05","03:46:30",""
"7063686","24.1267","0.0013","11.1271","0.0005","11.7481","0.0006","90","","117.052","0.002","90","","2808.8","0.2","297.61","","297.61","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nagash","","- C12 H17 Cu N2 O6.5 -","- C12 H17 Cu N2 O6.5 -","- C96 H136 Cu8 N16 O52 -","8","1","","Manurkar, Nagesh; Ilyas, Mubashar; Arshad, Faiza; Patil, Prasanna; Shah, Haroon; Khan, Maroof Ahmad; Hussain, Wajid; Li, Hui","Exploring the first and second hyperpolarizabilities of l-glutamine-based Schiff base ligands and their Cu(ii) coordination complexes","New Journal of Chemistry","2025","49","13","5200","5212","10.1039/D5NJ00477B","","","0.71073","MoKα","","0.0263","0.0224","","","0.0607","0.0625","","","","","","1.063","","","","has coordinates","299022","2025-04-05","03:46:31",""
"7063687","10.2238","0.0003","10.1572","0.0003","21.0271","0.0008","90","","104.016","0.004","90","","2118.55","0.13","249.99","0.1","249.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 O Se -","- C27 H20 O Se -","- C108 H80 O4 Se4 -","4","1","","Guo, Le; Liu, Anjia; Qi, Hongbo; Gu, Lei; Yuan, Xingyu; Chi, Dongmei; Chen, Shufeng","Divergent synthesis of selenide-containing spirocarbocycles and phenanthrenes through Cu(OTf)2-promoted selenylation of alkyne-containing phenol-based biaryls","New Journal of Chemistry","2025","49","14","5989","5994","10.1039/D5NJ00253B","","x-ray","1.54184","CuKα","","0.034","0.0308","","","0.0811","0.0838","","","","","","1.065","","","","has coordinates","299030","2025-04-05","03:49:04",""
"7063688","26.615","0.003","9.7502","0.001","35.915","0.006","90","","112.221","0.016","90","","8628","2","219.99","0.1","219.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 O Se -","- C26 H18 O Se -","- C416 H288 O16 Se16 -","16","2","","Guo, Le; Liu, Anjia; Qi, Hongbo; Gu, Lei; Yuan, Xingyu; Chi, Dongmei; Chen, Shufeng","Divergent synthesis of selenide-containing spirocarbocycles and phenanthrenes through Cu(OTf)2-promoted selenylation of alkyne-containing phenol-based biaryls","New Journal of Chemistry","2025","49","14","5989","5994","10.1039/D5NJ00253B","","x-ray","0.71073","MoKα","","0.1488","0.0634","","","0.1106","0.1417","","","","","","1","","","","has coordinates","299030","2025-04-05","03:49:04",""
"7063689","8.8588","0.0001","9.4608","0.0001","16.0032","0.0002","97.07","0.001","94.069","0.001","94.939","0.001","1321.59","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","SNSTPE","","- C65.6 H47.2 Cl3.2 N2 S2 -","- C65.6 H47.2 Cl3.2 N2 S2 -","- C65.6 H47.2 Cl3.2 N2 S2 -","1","0.5","","Guo, Wenxiu; Ding, Huanda; Li, Aomei; Zhou, Shiyuan; Wang, Danfeng; Gu, Peiyang; Liu, Jie; Sun, Hua; Liu, Guangfeng","Tuning the optical properties of pyrimidine-thiophene derivatives via molecular engineering","New Journal of Chemistry","2025","49","13","5362","5368","10.1039/D5NJ00472A","","","1.54184","CuKα","","0.0506","0.0478","","","0.1154","0.1171","","","","","","1.062","","","","has coordinates,has disorder","299026","2025-04-05","03:47:40",""
"7063690","18.9371","0.0017","8.657","0.0007","42.94","0.02","90","","90","","90","","7040","3","100.04","0.1","100.04","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","SNSCZ","","- C48 H30 N4 S2 -","- C48 H30 N4 S2 -","- C384 H240 N32 S16 -","8","1","","Guo, Wenxiu; Ding, Huanda; Li, Aomei; Zhou, Shiyuan; Wang, Danfeng; Gu, Peiyang; Liu, Jie; Sun, Hua; Liu, Guangfeng","Tuning the optical properties of pyrimidine-thiophene derivatives via molecular engineering","New Journal of Chemistry","2025","49","13","5362","5368","10.1039/D5NJ00472A","","x-ray","1.54184","CuKα","","0.0732","0.0701","","","0.2046","0.2075","","","","","","1.158","","","","has coordinates,has disorder","299026","2025-04-05","03:47:52",""
"7063691","9.948","0.0005","11.6335","0.0005","16.453","0.0006","86.111","0.003","73.614","0.004","77.125","0.004","1780.81","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","SNSTPA","","- C48 H34 N4 S2 -","- C48 H34 N4 S2 -","- C96 H68 N8 S4 -","2","1","","Guo, Wenxiu; Ding, Huanda; Li, Aomei; Zhou, Shiyuan; Wang, Danfeng; Gu, Peiyang; Liu, Jie; Sun, Hua; Liu, Guangfeng","Tuning the optical properties of pyrimidine-thiophene derivatives via molecular engineering","New Journal of Chemistry","2025","49","13","5362","5368","10.1039/D5NJ00472A","","x-ray","0.71073","MoKα","","0.0663","0.0447","","","0.1094","0.1196","","","","","","1.048","","","","has coordinates,has disorder","299026","2025-04-05","03:48:03",""
"7063692","11.604","0.0011","24.366","0.002","8.4503","0.0007","90","","90","","90","","2389.3","0.4","296.3","0.5","296.3","0.5","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- I9 K2 Na O24 -","- I9 K2 Na O24 -","- I36 K8 Na4 O96 -","4","0.5","","Lin, Min-Quan; Duan, Meng-Fan; Mao, Jiang-Gao; Yang, Bing-Ping","K2Na(I3O8)3: a promising mid-infrared birefringent material with two different structures of octaoxotriiodate(v) polyanions","New Journal of Chemistry","2025","49","15","6103","6108","10.1039/D5NJ00763A","","x-ray","0.71073","MoKα","","0.0501","0.0349","","","0.0716","0.0811","","","","","","1.049","","","","has coordinates","301066","2025-07-06","17:36:01",""
"7063693","8.933","0.001","17.321","0.002","13.139","0.002","90","","104.667","0.005","90","","1966.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cl2 Mo N4 O3 -","- C14 H26 Cl2 Mo N4 O3 -","- C56 H104 Cl8 Mo4 N16 O12 -","4","1","","Teles, Tamara; Fernandes, Auguste; Ferreira, Maria João; Côrte-Real, Leonor; Marques, Fernanda; Correia, João D. G.; Alves, Luis G.","Cyclam-based molybdenum carbonyl complexes as a novel class of cytotoxic agents","New Journal of Chemistry","2025","49","14","5766","5772","10.1039/D4NJ05233A","","","0.71073","MoKα","","0.0511","0.0378","","","0.0781","0.0821","","","","","","1.086","","","","has coordinates","299028","2025-04-05","03:48:31",""
"7063694","17.128","0.005","21.25","0.006","12.14","0.003","90","","133.535","0.003","90","","3203.3","1.5","173.15","","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 I2 N4 O Si2 -","- C24 H44 I2 N4 O Si2 -","- C96 H176 I8 N16 O4 Si8 -","4","0.5","","Puerta Lombardi, Braulio M.; McCallum, Katia A.; Harrison, Alexander; Louwe, Devon S.; Espejo, Jayar; Bouzidi, Karima; Roesler, Roland","Bis(N-heterocyclic carbene)s incorporating silicon in the ligand backbone","New Journal of Chemistry","2025","49","16","6554","6560","10.1039/D4NJ04276J","","","0.71073","MoKα","","0.0474","0.0358","","","0.0849","0.0918","","","","","","1.022","","","","has coordinates","301054","2025-07-06","17:33:43",""
"7063695","9.0436","0.0015","22.182","0.004","11.772","0.002","90","","102.171","0.003","90","","2308.4","0.7","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 I2 N4 Si -","- C16 H30 I2.0004 N4 Si -","- C64 H120 I8.0016 N16 Si4 -","4","1","","Puerta Lombardi, Braulio M.; McCallum, Katia A.; Harrison, Alexander; Louwe, Devon S.; Espejo, Jayar; Bouzidi, Karima; Roesler, Roland","Bis(N-heterocyclic carbene)s incorporating silicon in the ligand backbone","New Journal of Chemistry","2025","49","16","6554","6560","10.1039/D4NJ04276J","","","0.71073","MoKα","","0.0835","0.0756","","","0.1879","0.1955","","","","","","1.049","","","","has coordinates,has disorder","301054","2025-07-06","17:33:44",""
"7063696","12.276","0.002","15.4","0.003","15.149","0.002","90","","100.478","0.002","90","","2816.2","0.8","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 I2 N4 O Si -","- C22 H40 I2 N4 O Si -","- C88 H160 I8 N16 O4 Si4 -","4","1","","Puerta Lombardi, Braulio M.; McCallum, Katia A.; Harrison, Alexander; Louwe, Devon S.; Espejo, Jayar; Bouzidi, Karima; Roesler, Roland","Bis(N-heterocyclic carbene)s incorporating silicon in the ligand backbone","New Journal of Chemistry","2025","49","16","6554","6560","10.1039/D4NJ04276J","","","0.71073","MoKα","","0.0619","0.0456","","","0.13","0.1429","","","","","","1.038","","","","has coordinates","301054","2025-07-06","17:33:44",""
"7063697","17.5721","0.0003","17.3121","0.0002","35.253","0.0005","90","","100.215","0.001","90","","10554.3","0.3","100","0.1","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C109 H105 Cl3 F12 Fe3 N7 P8 Ru -","- C109 H105 Cl3 F12 Fe3 N7 P8 Ru -","- C436 H420 Cl12 F48 Fe12 N28 P32 Ru4 -","4","1","","Wang, Hao; Liu, Xiao-Lin; Liu, Han; Wu, Xin-Tao; Sheng, Tian-Lu","A T-shaped cyanidometal-bridged tetranuclear Fe3Ru complex with oxidation-driven intramolecular charge transfer between metal centres","New Journal of Chemistry","2025","49","16","6595","6602","10.1039/D5NJ00751H","","","1.54184","CuKα","","0.064","0.054","","","0.1414","0.1477","","","","","","1.012","","","","has coordinates,has disorder","301057","2025-07-06","17:34:26",""
"7063698","12.683","0.0005","7.2768","0.0003","35.8591","0.0013","90","","90.636","0.003","90","","3309.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl N O3 -","- C18 H16 Cl N O3 -","- C144 H128 Cl8 N8 O24 -","8","2","","Singh, Gurjaspreet; Sharma, Devina; Sharma, Samiksha; Stanzin, Jigmat; Kaur, Harshbir; Dalal, Anurag; Vikas,; Batish, Daizy Rani; Pal, Amrit; Alpaslan, Medine Karadağ","Elucidating the plant growth potential of triazole conjoined silatrane on Cajanus cajan and its in silico approach","New Journal of Chemistry","2025","49","14","5871","5882","10.1039/D4NJ05561F","","x-ray","0.71073","MoKα","","0.1085","0.0491","","","0.1107","0.1344","","","","","","1.018","","","","has coordinates","299027","2025-04-05","03:48:15",""
"7063699","7.4934","0.0011","26.809","0.004","14.499","0.002","90","","92.652","0.005","90","","2909.6","0.7","300","","300","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cl3 N3 Ni O4 S -","- C28 H22 Cl3 N3 Ni O4 S -","- C112 H88 Cl12 N12 Ni4 O16 S4 -","4","1","","Panicker, Rakesh R.; John, Martin Luther; N., Daphne Morrison; Yogendra Varma, Pralayakaveri; S., Dharani; Pandya, Chayan; Anand, A. S. Vijai; Mondal, Joydip; Sivaramakrishna, Akella","Square planar mononuclear Ni(ii) complexes of functionalized 2,2′:6′,2′′-terpyridines: BSA/DNA binding and anticancer activity","New Journal of Chemistry","2025","49","14","5883","5900","10.1039/D4NJ03874F","","","0.71073","MoKα","","0.0912","0.0551","","","0.1193","0.1393","","","","","","1.036","","","","has coordinates","299031","2025-04-05","03:49:21",""
"7063700","8.238","0.002","10.517","0.003","13.479","0.004","96.239","0.01","102.378","0.01","99.049","0.01","1114.1","0.5","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Cl N3 O2 S -","- C26 H16 Cl N3 O2 S -","- C52 H32 Cl2 N6 O4 S2 -","2","1","","Panicker, Rakesh R.; John, Martin Luther; N., Daphne Morrison; Yogendra Varma, Pralayakaveri; S., Dharani; Pandya, Chayan; Anand, A. S. Vijai; Mondal, Joydip; Sivaramakrishna, Akella","Square planar mononuclear Ni(ii) complexes of functionalized 2,2′:6′,2′′-terpyridines: BSA/DNA binding and anticancer activity","New Journal of Chemistry","2025","49","14","5883","5900","10.1039/D4NJ03874F","","","0.71073","MoKα","","0.0808","0.0453","","","0.0867","0.103","","","","","","1.058","","","","has coordinates","299031","2025-04-05","03:49:21",""
"7063701","7.6641","0.001","13.0835","0.0017","18.1949","0.0019","90","","94.763","0.01","90","","1818.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl3 N4 O2 Pt -","- C16 H15 Cl3 N4 O2 Pt -","- C64 H60 Cl12 N16 O8 Pt4 -","4","1","","Wu, Run-Chun; Zhang, Ju-Mei; Huang, Xiao-Qiong; Li, Qiu-Ming; Zhou, Zhen; Liang, Hong; Tan, Ming-Xiong; Qin, Qi-Pin","Synthesis and antitumor mechanisms of two new 8-hydroxyquinoline platinum(ii) derivatives","New Journal of Chemistry","2025","49","16","6561","6567","10.1039/D4NJ04292A","","x-ray","0.71073","MoKα","","0.0947","0.0507","","","0.1137","0.1601","","","","","","1.072","","","","has coordinates","301051","2025-07-06","17:32:49",""
"7063702","7.5155","0.0003","13.2815","0.0005","18.2223","0.0006","90","","94.577","0.002","90","","1813.1","0.12","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H15 Br Cl2 N4 O2 Pt -","- C16 H15 Br Cl2 N4 O2 Pt -","- C64 H60 Br4 Cl8 N16 O8 Pt4 -","4","2","","Wu, Run-Chun; Zhang, Ju-Mei; Huang, Xiao-Qiong; Li, Qiu-Ming; Zhou, Zhen; Liang, Hong; Tan, Ming-Xiong; Qin, Qi-Pin","Synthesis and antitumor mechanisms of two new 8-hydroxyquinoline platinum(ii) derivatives","New Journal of Chemistry","2025","49","16","6561","6567","10.1039/D4NJ04292A","","","0.71073","MoKα","","0.0432","0.0347","","","0.095","0.1068","","","","","","1.076","","","","has coordinates","301051","2025-07-06","17:32:49",""
"7063703","8.6372","0.0003","11.4481","0.0004","24.7299","0.0009","90","","94.21","0.003","90","","2438.68","0.15","291","2","291.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 O7 -","- C28 H24 N2 O7 -","- C112 H96 N8 O28 -","4","1","","Nowak, Patryk; Sikorski, Artur","Synthesis, structural characterization, in silico ADMET and molecular docking studies of a Schiff base derived from 4-hydroxybenzaldehyde and 4-aminobenzoic acid","New Journal of Chemistry","2025","49","14","5940","5949","10.1039/D4NJ02791D","","","0.71073","MoKα","","0.0763","0.0496","","","0.1113","0.1235","","","","","","1.0948","","","","has coordinates,has disorder","299029","2025-04-05","03:48:53",""
"7063704","16.576","0.001","13.958","0.0009","18.4436","0.001","90","","90.964","0.005","90","","4266.7","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 B N5 O2 -","- C48 H66 B N5 O2 -","- C192 H264 B4 N20 O8 -","4","1","","Rajput, Sagrika; M. T., Nithya; Dhala, Sasmita; Venkatasubbaiah, Krishnan; Nembenna, Sharanappa","Exploring tetra-coordinate bis-guanidinate-supported boron complexes: synthesis, characterization, and photophysical properties","New Journal of Chemistry","2025","49","16","6731","6740","10.1039/D5NJ00446B","","x-ray","0.71073","MoKα","","0.097","0.0513","","","0.103","0.1183","","","","","","1.01","","","","has coordinates","301052","2025-07-06","17:33:12",""
"7063705","10.9789","0.0004","11.8113","0.0002","17.3241","0.0003","81.404","0.002","74.068","0.002","78.624","0.002","2106.92","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 B N5 O2 -","- C40 H50 B N5 O2 -","- C80 H100 B2 N10 O4 -","2","1","","Rajput, Sagrika; M. T., Nithya; Dhala, Sasmita; Venkatasubbaiah, Krishnan; Nembenna, Sharanappa","Exploring tetra-coordinate bis-guanidinate-supported boron complexes: synthesis, characterization, and photophysical properties","New Journal of Chemistry","2025","49","16","6731","6740","10.1039/D5NJ00446B","","","1.54184","CuKα","","0.0622","0.0601","","","0.1587","0.161","","","","","","1.035","","","","has coordinates","301052","2025-07-06","17:33:13",""
"7063706","15.6239","0.0002","17.405","0.0003","29.4625","0.0004","90","","90","","90","","8011.9","0.2","99.99","0.13","99.99","0.13","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H58 B N5 O2 -","- C44 H58 B N5 O2 -","- C352 H464 B8 N40 O16 -","8","1","","Rajput, Sagrika; M. T., Nithya; Dhala, Sasmita; Venkatasubbaiah, Krishnan; Nembenna, Sharanappa","Exploring tetra-coordinate bis-guanidinate-supported boron complexes: synthesis, characterization, and photophysical properties","New Journal of Chemistry","2025","49","16","6731","6740","10.1039/D5NJ00446B","","x-ray","1.54184","CuKα","","0.0597","0.0495","","","0.1183","0.1243","","","","","","1.032","","","","has coordinates","301052","2025-07-06","17:33:13",""
"7063707","14.4681","0.0003","16.5069","0.0004","17.7735","0.0004","90","","103.435","0.002","90","","4128.57","0.16","100","0.11","100","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 B N5 O2 -","- C48 H58 B N5 O2 -","- C192 H232 B4 N20 O8 -","4","1","","Rajput, Sagrika; M. T., Nithya; Dhala, Sasmita; Venkatasubbaiah, Krishnan; Nembenna, Sharanappa","Exploring tetra-coordinate bis-guanidinate-supported boron complexes: synthesis, characterization, and photophysical properties","New Journal of Chemistry","2025","49","16","6731","6740","10.1039/D5NJ00446B","","","1.54184","CuKα","","0.0591","0.0521","","","0.1385","0.1448","","","","","","1.049","","","","has coordinates","301052","2025-07-06","17:33:13",""
"7063708","20.7642","0.0006","17.1299","0.0003","21.1867","0.0006","90","","115.055","0.003","90","","6826.8","0.3","99.99","0.11","99.99","0.11","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C148 H160 B3 N15 O10 -","- C148 H160 B3 N15 O10 -","- C296 H320 B6 N30 O20 -","2","0.5","","Rajput, Sagrika; M. T., Nithya; Dhala, Sasmita; Venkatasubbaiah, Krishnan; Nembenna, Sharanappa","Exploring tetra-coordinate bis-guanidinate-supported boron complexes: synthesis, characterization, and photophysical properties","New Journal of Chemistry","2025","49","16","6731","6740","10.1039/D5NJ00446B","","","1.54184","CuKα","","0.0718","0.0664","","","0.1843","0.1921","","","","","","1.034","","","","has coordinates,has disorder","301052","2025-07-06","17:33:13",""
"7063709","15.439","0.0003","16.2615","0.0003","21.087","0.0003","90","","90.257","0.001","90","","5294.08","0.16","100.01","0.11","100.01","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 B N5 O4 -","- C60 H72 B N5 O4 -","- C240 H288 B4 N20 O16 -","4","1","","Rajput, Sagrika; M. T., Nithya; Dhala, Sasmita; Venkatasubbaiah, Krishnan; Nembenna, Sharanappa","Exploring tetra-coordinate bis-guanidinate-supported boron complexes: synthesis, characterization, and photophysical properties","New Journal of Chemistry","2025","49","16","6731","6740","10.1039/D5NJ00446B","","","1.54184","CuKα","","0.0861","0.081","","","0.21","0.2143","","","","","","1.037","","","","has coordinates,has disorder","301052","2025-07-06","17:33:13",""
"7063710","14.8209","0.0003","16.0372","0.0004","20.9525","0.0005","104.236","0.002","109.15","0.002","95.378","0.0018","4476.6","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H62 B N5 O2 -","- C54 H62 B N5 O2 -","- C216 H248 B4 N20 O8 -","4","2","","Rajput, Sagrika; M. T., Nithya; Dhala, Sasmita; Venkatasubbaiah, Krishnan; Nembenna, Sharanappa","Exploring tetra-coordinate bis-guanidinate-supported boron complexes: synthesis, characterization, and photophysical properties","New Journal of Chemistry","2025","49","16","6731","6740","10.1039/D5NJ00446B","","x-ray","1.54184","CuKα","","0.1137","0.0913","","","0.2314","0.2486","","","","","","1.09","","","","has coordinates","301052","2025-07-06","17:33:13",""
"7063711","10.5223","0.0008","10.927","0.001","19.7925","0.0012","84.75","0.006","89.913","0.006","83.45","0.007","2251.3","0.3","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H52.12 Cl2 Co N6 O9.56 -","- C46 H43.122 Cl2 Co N6 O6.561 -","- C92 H86.244 Cl4 Co2 N12 O13.122 -","2","1","","Khan, Md. Adnan; Khan, Sahanwaj; Sengupta, Swaraj; Naskar, Subhendu","Electrocatalytic water oxidation by molecular cobalt-terpyridine complexes in alkaline medium: experimental and theoretical study","New Journal of Chemistry","2025","49","17","6963","6974","10.1039/D4NJ05517A","","","0.71073","MoKα","","0.0844","0.0572","","","0.1313","0.149","","","","","","1.053","","","","has coordinates,has disorder","301047","2025-07-06","17:32:09",""
"7063712","9.3891","0.0002","12.847","0.0003","20.7104","0.0005","91.549","0.002","100.772","0.002","105.942","0.002","2351.59","0.1","100","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C48.5 H43.5 Cl3 Co N6 O14.25 -","- C48 H42.5 Cl2 Co N6 O14.25 -","- C96 H85 Cl4 Co2 N12 O28.5 -","2","1","","Khan, Md. Adnan; Khan, Sahanwaj; Sengupta, Swaraj; Naskar, Subhendu","Electrocatalytic water oxidation by molecular cobalt-terpyridine complexes in alkaline medium: experimental and theoretical study","New Journal of Chemistry","2025","49","17","6963","6974","10.1039/D4NJ05517A","","","0.71073","MoKα","","0.0375","0.0332","","","0.0867","0.0895","","","","","","1.041","","","","has coordinates,has disorder","301047","2025-07-06","17:32:09",""
"7063713","8.932","0.0007","10.3376","0.0008","21.3919","0.0016","85.981","0.006","78.249","0.006","74.246","0.007","1861","0.3","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H30 Cl2 Co F2 N6 O5 -","- C42 H30 Cl2 Co F2 N6 O5 -","- C84 H60 Cl4 Co2 F4 N12 O10 -","2","1","","Khan, Md. Adnan; Khan, Sahanwaj; Sengupta, Swaraj; Naskar, Subhendu","Electrocatalytic water oxidation by molecular cobalt-terpyridine complexes in alkaline medium: experimental and theoretical study","New Journal of Chemistry","2025","49","17","6963","6974","10.1039/D4NJ05517A","","","0.71073","MoKα","","0.0722","0.0494","","","0.101","0.113","","","","","","1.031","","","","has coordinates,has disorder","301047","2025-07-06","17:32:09",""
"7063714","8.0616","0.0002","11.5704","0.0002","21.4599","0.0004","84.622","0.001","80.819","0.001","76.323","0.001","1916.74","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H52 Co5 N4 O42 -","- C60 H52 Co5 N4 O42 -","- C60 H52 Co5 N4 O42 -","1","0.5","","Mao, Yu-Ling; Yu, Jia; Shan, Bo-Yu; Liu, Xin-Xin; Chu, Jing-Ying; Ma, Xin-Yue; Li, Miao; Zheng, Yi-Meng; Zhu, Bai-Li; Zuo, Ming-Hui; Cui, Shu-Xin","A novel naphthalene diimide cobalt coordination polymer: synthesis, photo/electric/dehydration discoloration, amine sensing, and magnetism","New Journal of Chemistry","2025","49","17","7126","7133","10.1039/D5NJ00024F","","","1.54184","CuKα","","0.0605","0.0507","","","0.1511","0.1611","","","","","","1.087","","","","has coordinates","301045","2025-07-06","17:31:47",""
"7063715","8.0626","0.0001","11.5694","0.0002","21.4689","0.0004","84.525","0.001","80.973","0.001","76.353","0.001","1918.41","0.06","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 Co5 N4 O44 -","- C60 H56 Co5 N4 O44 -","- C60 H56 Co5 N4 O44 -","1","0.5","","Mao, Yu-Ling; Yu, Jia; Shan, Bo-Yu; Liu, Xin-Xin; Chu, Jing-Ying; Ma, Xin-Yue; Li, Miao; Zheng, Yi-Meng; Zhu, Bai-Li; Zuo, Ming-Hui; Cui, Shu-Xin","A novel naphthalene diimide cobalt coordination polymer: synthesis, photo/electric/dehydration discoloration, amine sensing, and magnetism","New Journal of Chemistry","2025","49","17","7126","7133","10.1039/D5NJ00024F","","","1.54184","CuKα","","0.0761","0.0698","","","0.2137","0.2179","","","","","","1.096","","","","has coordinates","301045","2025-07-06","17:31:48",""
"7063716","9.71","0.005","10.172","0.005","11.173","0.005","89.007","0.012","82.504","0.013","76.151","0.014","1062.2","0.9","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H50 Cl2 Cu2 N8 O18 -","- C34 H50 Cl2 Cu2 N8 O18 -","- C34 H50 Cl2 Cu2 N8 O18 -","1","0.5","","Basak, Swati; Das, Pranjal; Kuilya, Hemrupa; Choudhury, Diganta; Kalita, Apurba","Electrocatalytic water oxidation activity of phenolate-bridged dinuclear copper(ii) complexes in alkaline phosphate buffer","New Journal of Chemistry","2025","49","17","7134","7139","10.1039/D5NJ00742A","","","0.71073","MoKα","","0.1318","0.0597","","","0.1186","0.1526","","","","","","1.007","","","","has coordinates","301044","2025-07-06","17:31:39",""
"7063717","10.1663","0.0005","11.4731","0.0005","14.2943","0.0006","88.941","0.002","80.613","0.002","72.078","0.002","1564.23","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H64 Cl4 Cu4 N8 O22 -","- C56 H64 Cl4 Cu4 N8 O22 -","- C56 H64 Cl4 Cu4 N8 O22 -","1","0.5","","Basak, Swati; Das, Pranjal; Kuilya, Hemrupa; Choudhury, Diganta; Kalita, Apurba","Electrocatalytic water oxidation activity of phenolate-bridged dinuclear copper(ii) complexes in alkaline phosphate buffer","New Journal of Chemistry","2025","49","17","7134","7139","10.1039/D5NJ00742A","","","0.71073","MoKα","","0.0513","0.0386","","","0.0993","0.107","","","","","","1.055","","","","has coordinates","301044","2025-07-06","17:31:39",""
"7063718","45.899","0.006","17.4621","0.0017","33.535","0.004","90","","132.477","0.005","90","","19824","4","273.15","","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H98 Cd3 N20 O12 S6 -","- C78 H42 Cd3 N12 O12 S6 -","- C624 H336 Cd24 N96 O96 S48 -","8","1","","Li, Jun-Fei; Xu, Jing-Wen; Feng, Hui-Jun; Liu, Qiao-Yun; Wang, Jun-Wen","Thiazolothiazole-based metal–organic frameworks for photocatalytic coupling of benzylamine and degradation of organic dyes","New Journal of Chemistry","2025","49","16","6838","6845","10.1039/D5NJ00340G","","","0.71073","MoKα","","0.1503","0.0797","","","0.1851","0.2102","","","","","","1.079","","","","has coordinates","301053","2025-07-06","17:33:28",""
"7063719","12.8769","0.0005","14.4049","0.0006","14.4244","0.0006","90","","100.355","0.002","90","","2632.01","0.19","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Cd N5 O5 S2 -","- C22 H12 Cd N4 O4 S2 -","- C88 H48 Cd4 N16 O16 S8 -","4","1","","Li, Jun-Fei; Xu, Jing-Wen; Feng, Hui-Jun; Liu, Qiao-Yun; Wang, Jun-Wen","Thiazolothiazole-based metal–organic frameworks for photocatalytic coupling of benzylamine and degradation of organic dyes","New Journal of Chemistry","2025","49","16","6838","6845","10.1039/D5NJ00340G","","","1.54178","CuKα","","0.044","0.0339","","","0.0865","0.0912","","","","","","1.016","","","","has coordinates","301053","2025-07-06","17:33:28",""
"7063720","17.2315","0.0009","24.0207","0.0013","17.5271","0.0009","90","","108.105","0.003","90","","6895.5","0.6","273.15","","273.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C127 H99 Cd4 N21 O16 S8 -","- C112 H64 Cd4 N16 O16 S8 -","- C224 H128 Cd8 N32 O32 S16 -","2","1","","Li, Jun-Fei; Xu, Jing-Wen; Feng, Hui-Jun; Liu, Qiao-Yun; Wang, Jun-Wen","Thiazolothiazole-based metal–organic frameworks for photocatalytic coupling of benzylamine and degradation of organic dyes","New Journal of Chemistry","2025","49","16","6838","6845","10.1039/D5NJ00340G","","","1.54178","CuKα","","0.1289","0.0885","","","0.1959","0.2267","","","","","","0.889","","","","has coordinates,has disorder","301053","2025-07-06","17:33:28",""
"7063721","9.6923","0.0002","25.6469","0.0005","10.1345","0.0002","90","","105.072","0.002","90","","2432.55","0.09","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 O4 S -","- C31 H26 O4 S -","- C124 H104 O16 S4 -","4","1","","Sun, Lidan; Xu, Mengze; Feng, Yurou; Lin, Quanjie; Xie, Xiaolan; Shen, Jinhai; Chen, Zhichao","Photoredox-catalyzed synthesis of sulfonated dihydrofurans from olefinic carbonyls through the insertion of sulfur dioxide","New Journal of Chemistry","2025","49","17","7268","7272","10.1039/D5NJ00238A","","x-ray","1.54184","CuKα","","0.0428","0.0376","","","0.0981","0.1014","","","","","","1.06","","","","has coordinates","301046","2025-07-06","17:31:55",""
"7063722","16.609","0.002","16.609","0.002","14.325","0.003","90","","90","","120","","3422.3","0.9","","","","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C45 H54 N6 Ni3 O24 -","- C423 H621 N36 Ni21 O168 -","- C846 H1242 N72 Ni42 O336 -","2","0.0833333","","Yang, Tinghai; Xiao, Rengui; Lu, Fenglian; Ke, Xiang; Wang, Mengxia; Wang, Keliang","Conductivity enhancement mechanism and application of NiCo-MOF hollow sphere electrode materials in lithium-ion batteries","New Journal of Chemistry","2025","49","16","6674","6683","10.1039/D5NJ00121H","","","","","","","","","","","","","","","","","","","","","has coordinates","301056","2025-07-06","17:34:15",""
"7063723","7.9402","0.0003","10.2062","0.0003","12.5527","0.0004","93.564","0.001","94.678","0.001","111.087","0.001","941.39","0.05","120","","120","","","","","","","","","4","P -1","-P 1","2","","Lenalidomide melamine methanol hemihydrate","","- C17 H24 N9 O4.5 -","- C17 H24 N9 O4.5 -","- C34 H48 N18 O9 -","2","1","","Screen, Martin A.; Tomkinson, Gary; McCabe, James F.; Askin, Sean; Mahon, Clare S.; Wilson, Mark R.; Steed, Jonathan W.","Designing lenalidomide cocrystals with an extended-release profile for improved pulmonary drug delivery","New Journal of Chemistry","2025","49","16","6535","6543","10.1039/D5NJ00425J","","x-ray","0.71073","MoKα","","0.0943","0.08","","","0.1738","0.1816","","","","","","1.128","","","","has coordinates,has disorder","301055","2025-07-06","17:33:59",""
"7063724","26.529","0.0004","26.529","0.0004","26.529","0.0004","90","","90","","90","","18670.8","0.5","143","2","143","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C78 H88.2 Dy2 N6 O35.1 P6 -","- C78 H72 Dy2 N6 O35.1 P6 -","- C624 H576 Dy16 N48 O280.8 P48 -","8","0.166667","","Slobodskaia, Serafima S.; Efimov, Nikolay N.; Galkina, Alina S.; Tsebrikova, Galina S.; Ilyukhin, Andrey B.; Ivanova, Irina S.; Baulin, Vladimir E.; Tsivadze, Aslan Yu.","Magnetic properties of 3D lanthanide complexes with 1,3-bis(diphenylphosphoryl)-2-oxapropane: the slow magnetic relaxation of Yb3+ compounds","New Journal of Chemistry","2025","49","18","7451","7458","10.1039/D5NJ00123D","","","0.71073","MoKα","","0.0195","0.0167","","","0.0437","0.0452","","","","","","0.99","","","","has coordinates,has disorder","301068","2025-07-06","17:37:48",""
"7063725","26.525","0.0016","26.525","0.0016","26.525","0.0016","90","","90","","90","","18662.3","1.9","100","2","100","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C78 H87.24 N6 O34.62 P6 Y1.68 Yb0.32 -","- C78 H72 N6 O34.62 P6 Y1.68 Yb0.32 -","- C624 H576 N48 O276.96 P48 Y13.44 Yb2.56 -","8","0.166667","","Slobodskaia, Serafima S.; Efimov, Nikolay N.; Galkina, Alina S.; Tsebrikova, Galina S.; Ilyukhin, Andrey B.; Ivanova, Irina S.; Baulin, Vladimir E.; Tsivadze, Aslan Yu.","Magnetic properties of 3D lanthanide complexes with 1,3-bis(diphenylphosphoryl)-2-oxapropane: the slow magnetic relaxation of Yb3+ compounds","New Journal of Chemistry","2025","49","18","7451","7458","10.1039/D5NJ00123D","","","0.71073","MoKα","","0.0359","0.0332","","","0.0819","0.083","","","","","","1.121","","","","has coordinates,has disorder","301068","2025-07-06","17:37:48",""
"7063726","26.5165","0.0011","26.5165","0.0011","26.5165","0.0011","90","","90","","90","","18644.4","1.3","100","2","100","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C78 H89.28 N6 O35.64 P6 Y2 -","- C78 H72 N6 O35.64 P6 Y2 -","- C624 H576 N48 O285.12 P48 Y16 -","8","0.166667","","Slobodskaia, Serafima S.; Efimov, Nikolay N.; Galkina, Alina S.; Tsebrikova, Galina S.; Ilyukhin, Andrey B.; Ivanova, Irina S.; Baulin, Vladimir E.; Tsivadze, Aslan Yu.","Magnetic properties of 3D lanthanide complexes with 1,3-bis(diphenylphosphoryl)-2-oxapropane: the slow magnetic relaxation of Yb3+ compounds","New Journal of Chemistry","2025","49","18","7451","7458","10.1039/D5NJ00123D","","","0.71073","MoKα","","0.0249","0.0234","","","0.0725","0.0734","","","","","","0.996","","","","has coordinates,has disorder","301068","2025-07-06","17:37:48",""
"7063727","26.2926","0.001","26.2926","0.001","26.2926","0.001","90","","90","","90","","18176.1","1.2","100","2","100","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C78 H84 N6 O33 P6 Yb2 -","- C78 H72 N6 O33 P6 Yb2 -","- C624 H576 N48 O264 P48 Yb16 -","8","0.166667","","Slobodskaia, Serafima S.; Efimov, Nikolay N.; Galkina, Alina S.; Tsebrikova, Galina S.; Ilyukhin, Andrey B.; Ivanova, Irina S.; Baulin, Vladimir E.; Tsivadze, Aslan Yu.","Magnetic properties of 3D lanthanide complexes with 1,3-bis(diphenylphosphoryl)-2-oxapropane: the slow magnetic relaxation of Yb3+ compounds","New Journal of Chemistry","2025","49","18","7451","7458","10.1039/D5NJ00123D","","","0.71073","MoKα","","0.0183","0.0158","","","0.0453","0.0468","","","","","","0.9","","","","has coordinates,has disorder","301068","2025-07-06","17:37:48",""
"7063728","26.65","0.005","26.65","0.005","26.65","0.005","90","","90","","90","","18927","6","250","2","250","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C78 H85.36 Dy0.06 N6 O34.68 P6 Y1.94 -","- C78 H72 Dy0.056 N6 O34.68 P6 Y1.944 -","- C624 H576 Dy0.448 N48 O277.44 P48 Y15.552 -","8","0.166667","","Slobodskaia, Serafima S.; Efimov, Nikolay N.; Galkina, Alina S.; Tsebrikova, Galina S.; Ilyukhin, Andrey B.; Ivanova, Irina S.; Baulin, Vladimir E.; Tsivadze, Aslan Yu.","Magnetic properties of 3D lanthanide complexes with 1,3-bis(diphenylphosphoryl)-2-oxapropane: the slow magnetic relaxation of Yb3+ compounds","New Journal of Chemistry","2025","49","18","7451","7458","10.1039/D5NJ00123D","","","0.71073","MoKα","","0.0304","0.0261","","","0.0607","0.0626","","","","","","1.102","","","","has coordinates,has disorder","301068","2025-07-06","17:37:48",""
"7063729","26.2405","0.0013","26.2405","0.0013","26.2405","0.0013","90","","90","","90","","18068.3","1.6","100","2","100","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C78 H78.96 Dy0.14 Lu1.86 N6 O30.48 P6 -","- C78 H72 Dy0.14 Lu1.86 N6 O30.48 P6 -","- C624 H576 Dy1.12 Lu14.88 N48 O243.84 P48 -","8","0.166667","","Slobodskaia, Serafima S.; Efimov, Nikolay N.; Galkina, Alina S.; Tsebrikova, Galina S.; Ilyukhin, Andrey B.; Ivanova, Irina S.; Baulin, Vladimir E.; Tsivadze, Aslan Yu.","Magnetic properties of 3D lanthanide complexes with 1,3-bis(diphenylphosphoryl)-2-oxapropane: the slow magnetic relaxation of Yb3+ compounds","New Journal of Chemistry","2025","49","18","7451","7458","10.1039/D5NJ00123D","","","0.71073","MoKα","","0.0246","0.0198","","","0.0544","0.0599","","","","","","1.082","","","","has coordinates,has disorder","301068","2025-07-06","17:37:48",""
"7063730","26.4345","0.0011","26.4345","0.0011","26.4345","0.0011","90","","90","","90","","18472","1.3","100","2","100","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C78 H85.36 Dy0.06 N6 O34.68 P6 Y1.94 -","- C78 H72 Dy0.056 N6 O34.68 P6 Y1.944 -","- C624 H576 Dy0.448 N48 O277.44 P48 Y15.552 -","8","0.166667","","Slobodskaia, Serafima S.; Efimov, Nikolay N.; Galkina, Alina S.; Tsebrikova, Galina S.; Ilyukhin, Andrey B.; Ivanova, Irina S.; Baulin, Vladimir E.; Tsivadze, Aslan Yu.","Magnetic properties of 3D lanthanide complexes with 1,3-bis(diphenylphosphoryl)-2-oxapropane: the slow magnetic relaxation of Yb3+ compounds","New Journal of Chemistry","2025","49","18","7451","7458","10.1039/D5NJ00123D","","","0.71073","MoKα","","0.0283","0.0259","","","0.0599","0.0608","","","","","","1.132","","","","has coordinates,has disorder","301068","2025-07-06","17:37:48",""
"7063731","9.5116","0.0003","5.7815","0.0002","21.912","0.0007","90","","97.532","0.003","90","","1194.57","0.07","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C48 H68 N4 O16 -","4","1","","Panja, Anangamohan; Jagličić, Zvonko; Jana, Narayan Ch.; Contesso, Scarlette; Nandy, Rakhi; Aravena, Daniel","Impact of anionic co-ligands on nuclearity and single-molecule magnetism in a {CoIII2DyIII} trimeric and two {CoIII2DyIII2} tetrameric complexes","New Journal of Chemistry","2025","49","18","7576","7588","10.1039/D5NJ00766F","","","1.54184","CuKα","","0.0616","0.0547","","","0.1565","0.1634","","","","","","1.057","","","","has coordinates","301067","2025-07-06","17:36:20",""
"7063732","14.003","0.0005","14.0934","0.0004","15.8785","0.0005","90","","109.288","0.004","90","","2957.73","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 Co2 Dy2 N8 O22 -","- C48 H68 Co2 Dy2 N8 O22 -","- C96 H136 Co4 Dy4 N16 O44 -","2","0.5","","Panja, Anangamohan; Jagličić, Zvonko; Jana, Narayan Ch.; Contesso, Scarlette; Nandy, Rakhi; Aravena, Daniel","Impact of anionic co-ligands on nuclearity and single-molecule magnetism in a {CoIII2DyIII} trimeric and two {CoIII2DyIII2} tetrameric complexes","New Journal of Chemistry","2025","49","18","7576","7588","10.1039/D5NJ00766F","","","0.71073","MoKα","","0.0412","0.0325","","","0.0734","0.0779","","","","","","1.03","","","","has coordinates","301067","2025-07-06","17:36:20",""
"7063733","27.9723","0.0009","10.8697","0.0003","24.8686","0.0006","90","","90.025","0.002","90","","7561.3","0.4","199.99","0.1","200.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H56 Co2 Dy2 N8 O36 -","- C66 H56 Co2 Dy2 N8 O36 -","- C264 H224 Co8 Dy8 N32 O144 -","4","0.5","","Panja, Anangamohan; Jagličić, Zvonko; Jana, Narayan Ch.; Contesso, Scarlette; Nandy, Rakhi; Aravena, Daniel","Impact of anionic co-ligands on nuclearity and single-molecule magnetism in a {CoIII2DyIII} trimeric and two {CoIII2DyIII2} tetrameric complexes","New Journal of Chemistry","2025","49","18","7576","7588","10.1039/D5NJ00766F","","","0.71073","MoKα","","0.0395","0.0319","","","0.0854","0.0893","","","","","","1.039","","","","has coordinates,has disorder","301067","2025-07-06","17:36:20",""
"7063734","12.9113","0.0003","13.2394","0.0003","19.7653","0.0004","102.619","0.002","101.993","0.002","97.689","0.002","3167.72","0.13","100.04","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H83 Co2 Dy N6 O25 -","- C54 H83 Co2 Dy N6 O25 -","- C108 H166 Co4 Dy2 N12 O50 -","2","1","","Panja, Anangamohan; Jagličić, Zvonko; Jana, Narayan Ch.; Contesso, Scarlette; Nandy, Rakhi; Aravena, Daniel","Impact of anionic co-ligands on nuclearity and single-molecule magnetism in a {CoIII2DyIII} trimeric and two {CoIII2DyIII2} tetrameric complexes","New Journal of Chemistry","2025","49","18","7576","7588","10.1039/D5NJ00766F","","","0.71073","MoKα","","0.0753","0.0474","","","0.1105","0.1264","","","","","","1.026","","","","has coordinates,has disorder","301067","2025-07-06","17:36:20",""
"7063735","10.2412","0.00014","15.3376","0.0002","20.8758","0.0003","90","","90.2665","0.0012","90","","3279.04","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 N2 O3 -","- C38 H40 N2 O3 -","- C152 H160 N8 O12 -","4","1","","Xiang, Min; Lu, Lin-Mu; Feng, Guang-Yuan; Zhu, Shen-Xin; Luo, Si-Si; Wang, Guang-Wei; Jia, Yun-Qing; Shen, Li-Wen","Solvent- and temperature-controlled diastereodivergent [4+2] cyclization of p-QMs and 4-benzylidene-pyrazolones","New Journal of Chemistry","2025","49","18","7293","7296","10.1039/D5NJ00814J","","x-ray","1.54184","CuKα","","0.0596","0.0514","","","0.1462","0.156","","","","","","1.033","","","","has coordinates","301070","2025-07-06","17:38:16",""
"7063736","12.1444","0.0005","12.4946","0.0005","12.6801","0.0006","116.752","0.004","93.454","0.004","108.491","0.004","1581.91","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H40 N2 O3 -","- C38 H40 N2 O3 -","- C76 H80 N4 O6 -","2","1","","Xiang, Min; Lu, Lin-Mu; Feng, Guang-Yuan; Zhu, Shen-Xin; Luo, Si-Si; Wang, Guang-Wei; Jia, Yun-Qing; Shen, Li-Wen","Solvent- and temperature-controlled diastereodivergent [4+2] cyclization of p-QMs and 4-benzylidene-pyrazolones","New Journal of Chemistry","2025","49","18","7293","7296","10.1039/D5NJ00814J","","x-ray","1.54184","CuKα","","0.0631","0.054","","","0.1498","0.1614","","","","","","1.051","","","","has coordinates","301070","2025-07-06","17:38:16",""
"7063737","16.96514","0.00019","10.31317","0.0001","19.1239","0.0002","90","","106.771","0.0013","90","","3203.69","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 N2 O3 -","- C38 H40 N2 O3 -","- C152 H160 N8 O12 -","4","1","","Xiang, Min; Lu, Lin-Mu; Feng, Guang-Yuan; Zhu, Shen-Xin; Luo, Si-Si; Wang, Guang-Wei; Jia, Yun-Qing; Shen, Li-Wen","Solvent- and temperature-controlled diastereodivergent [4+2] cyclization of p-QMs and 4-benzylidene-pyrazolones","New Journal of Chemistry","2025","49","18","7293","7296","10.1039/D5NJ00814J","","x-ray","1.54184","CuKα","","0.0606","0.0506","","","0.1398","0.1511","","","","","","1.024","","","","has coordinates","301070","2025-07-06","17:38:16",""
"7063738","6.9084","0.0013","19.068","0.003","10.7534","0.0018","90","","94.741","0.017","90","","1411.7","0.4","393.15","","393.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 B F2 N3 -","- C16 H10 B F2 N3 -","- C64 H40 B4 F8 N12 -","4","0.5","","Lin, Ming-Sui; Nie, Qing-Bin; Chen, Jia-Nan; Liu, Ze-Yu; Wu, Qiao-Yu; Liu, Xiao-Feng; Liu, Chao; Pan, Zhong-Hua; Xiao, Wang-Chuan; Luo, Geng-Geng","Synthesis, photophysics and photosensitizing hydrogen evolution of a near-infrared heavy-atom-free sensitizer","New Journal of Chemistry","2025","49","18","7647","7654","10.1039/D5NJ00537J","","","0.71073","MoKα","","0.0951","0.0548","","","0.1275","0.1466","","","","","","1.054","","","","has coordinates,has disorder","301071","2025-07-06","17:38:31",""
"7063739","19.6846","0.0002","18.4122","0.0001","29.7761","0.0002","90","","104.507","0.001","90","","10447.9","0.15","100.01","0.1","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","C56H28B2F4N6S8","","- C28 H14 B F2 N3 S4 -","- C28 H14 B F2 N3 S4 -","- C448 H224 B16 F32 N48 S64 -","16","2","","Lin, Ming-Sui; Nie, Qing-Bin; Chen, Jia-Nan; Liu, Ze-Yu; Wu, Qiao-Yu; Liu, Xiao-Feng; Liu, Chao; Pan, Zhong-Hua; Xiao, Wang-Chuan; Luo, Geng-Geng","Synthesis, photophysics and photosensitizing hydrogen evolution of a near-infrared heavy-atom-free sensitizer","New Journal of Chemistry","2025","49","18","7647","7654","10.1039/D5NJ00537J","","","1.54184","CuKα","","0.0447","0.0419","","","0.1","0.1018","","","","","","1.036","","","","has coordinates,has disorder","301071","2025-07-06","17:38:33",""
"7063740","12.6918","0.0003","12.885","0.0003","20.6351","0.0004","90","","90","","90","","3374.54","0.13","150","2","149.9","0.5","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H33 N Ni O2 P2 S2 -","- C37 H33 N Ni O2 P2 S2 -","- C148 H132 N4 Ni4 O8 P8 S8 -","4","1","","Omoding, Daniel; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Imran, Ahamad; Kumar, Abhinav","New heteroleptic tertiary phosphane-based Ni(ii) 3,4-dimethoxyphenylacetonitriledithiolates: bifunctional electrocatalysts for homogeneous HER and heterogeneous OER","New Journal of Chemistry","2025","49","18","7617","7629","10.1039/D5NJ01319D","","x-ray","0.71073","MoKα","","0.0541","0.043","","","0.0975","0.1057","","","","","","1.079","","","","has coordinates","301069","2025-07-06","17:38:03",""
"7063741","10.0461","0.0013","10.2685","0.0014","16.065","0.002","81.418","0.004","72.104","0.004","88.928","0.005","1558.7","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","Yttrium-Strontium-Organic Compound","","","- C24 H14 N5 O19 Sr Y -","- C24 H14 N5 O19 Sr Y -","- C48 H28 N10 O38 Sr2 Y2 -","2","1","","Majee, Prakash; Bid, Arpita; Singha, Debal Kanti; Das, Chhatan; Mahata, Partha; Panja, Sujit Sankar; Mondal, Sudip Kumar","Terbium doped heterometallic metal–organic compound with carboxylate and imidazole-containing ligands for naked-eye detection of nitro containing antibiotics","New Journal of Chemistry","2025","49","19","7852","7860","10.1039/D5NJ00640F","","","0.71073","MoKα","","0.0807","0.0694","","","0.1774","0.1832","","","","","","1.091","","","","has coordinates","301050","2025-07-06","17:32:39",""
"7063742","4.5746","0.0004","12.0177","0.0011","16.8741","0.0017","109.531","0.006","90.485","0.006","93.749","0.005","871.97","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Hg I2 N4 O3 -","- C13 H10 Hg I2 N4 O3 -","- C26 H20 Hg2 I4 N8 O6 -","2","1","","Sheikh, Afzal Hussain; Choudhury, Rizwana Begum; Deb, Vishal Kumar; Shahnowaz, Toufique; Mukherjee, Souryadeep; Pramanick, Kousik; Kaminsky, Werner; Choudhury, Nurul Alam; Roy, Subhadip; Shukla, Rahul; Gurbanov, Atash V.; Mahmoudi, Ghodrat; Adhikari, Suman","Insights into the spodium bonding characteristics of a bactericidal Hg(ii) complex","New Journal of Chemistry","2025","49","19","7900","7909","10.1039/D5NJ00983A","","x-ray","0.71073","MoKα","","0.0515","0.0363","","","0.0797","0.0869","","","","","","1.041","","","","has coordinates","301048","2025-07-06","17:32:19",""
"7063743","10.0367","0.0003","18.6568","0.0005","13.0581","0.0005","90","","107.754","0.004","90","","2328.71","0.14","150","0.1","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H49 Cl Cu N P2 -","- C58 H49 Cl Cu N P2 -","- C116 H98 Cl2 Cu2 N2 P4 -","2","1","","Gourkhede, Rani; Balakrishna, Maravanji S.","Iminophosphorano–phosphine based CuI complexes: utility in 1,3-dipolar azide–alkyne cycloaddition and A3-coupling reaction","New Journal of Chemistry","2025","49","19","7749","7757","10.1039/D5NJ00379B","","","0.71073","MoKα","","0.0477","0.0393","","","0.0839","0.0894","","","","","","1.044","","","","has coordinates","301049","2025-07-06","17:32:30",""
"7063744","10.4126","0.0003","19.2175","0.0005","13.0188","0.0005","90","","108.95","0.004","90","","2463.92","0.15","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H49 Cu I N P2 -","- C58 H49 Cu I N P2 -","- C116 H98 Cu2 I2 N2 P4 -","2","1","","Gourkhede, Rani; Balakrishna, Maravanji S.","Iminophosphorano–phosphine based CuI complexes: utility in 1,3-dipolar azide–alkyne cycloaddition and A3-coupling reaction","New Journal of Chemistry","2025","49","19","7749","7757","10.1039/D5NJ00379B","","x-ray","0.71073","MoKα","","0.046","0.0353","","","0.0694","0.0752","","","","","","1.038","","","","has coordinates","301049","2025-07-06","17:32:31",""
"7063745","19.9265","0.0003","12.6727","0.0003","19.4682","0.0004","90","","90","","90","","4916.16","0.17","109","0.1","109","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C59 H51 Br Cl2 Cu N P2 -","- C59 H51 Br Cl2 Cu N P2 -","- C236 H204 Br4 Cl8 Cu4 N4 P8 -","4","1","","Gourkhede, Rani; Balakrishna, Maravanji S.","Iminophosphorano–phosphine based CuI complexes: utility in 1,3-dipolar azide–alkyne cycloaddition and A3-coupling reaction","New Journal of Chemistry","2025","49","19","7749","7757","10.1039/D5NJ00379B","","x-ray","0.71073","MoKα","","0.0555","0.0417","","","0.0966","0.1043","","","","","","1.032","","","","has coordinates","301049","2025-07-06","17:32:31",""
"7063746","13.5702","0.0007","9.8185","0.0004","10.5082","0.0006","90","","109.874","0.006","90","","1316.72","0.13","290","4","290","4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N O -","- C16 H16 N O -","- C64 H64 N4 O4 -","4","1","","Gourkhede, Rani; Balakrishna, Maravanji S.","Iminophosphorano–phosphine based CuI complexes: utility in 1,3-dipolar azide–alkyne cycloaddition and A3-coupling reaction","New Journal of Chemistry","2025","49","19","7749","7757","10.1039/D5NJ00379B","","x-ray","0.71073","MoKα","","0.0615","0.0513","","","0.1281","0.1373","","","","","","1.06","","","","has coordinates","301049","2025-07-06","17:32:31",""
"7063747","9.665","0.006","7.192","0.004","7.917","0.004","90","","97.76","0.02","90","","545.3","0.5","100","","100","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H4 Cl2 Co N2 O4 -","- C10 H4 Cl2 Co N2 O4 -","- C20 H8 Cl4 Co2 N4 O8 -","2","0.25","","Gupta, Arindam; Bhatt, Pramod; Konar, Sanjit","An infinite 2D sheet of tetragonal CoII framework exhibiting metamagnetism","New Journal of Chemistry","2025","49","20","8225","8231","10.1039/D5NJ00157A","","","0.71073","MoKα","","0.125","0.0701","","","0.1584","0.182","","","","","","1.088","","","","has coordinates","301064","2025-07-06","17:35:40",""
"7063748","8.6518","0.0018","9.8559","0.002","12.7821","0.0026","98.475","0.007","96.516","0.007","100.753","0.007","1047.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 Cu2 N8 P2 -","- C44 H44 Cu2 N8 P2 -","- C44 H44 Cu2 N8 P2 -","1","0.5","","Ferraro, Valentina; Gan, Xuemin; Rehak, Florian R.; Ralle, Philipp; Nieger, Martin; Steffen, Andreas; Klopper, Wim; Bräse, Stefan","Blue to yellow-emitting neutral Cu(i) complexes with μ-bridging 1,2,4-triazole: synthesis, photophysical characterization and DFT calculations","New Journal of Chemistry","2025","49","29","12468","12475","10.1039/D5NJ01056J","","","1.54178","CuKα","","0.0407","0.037","","","0.1015","0.1072","","","","","","1.045","","","","has coordinates","301614","2025-08-05","22:20:10",""
"7063749","13.076","0.0007","18.0781","0.001","24.0237","0.0013","90","","103.115","0.002","90","","5530.8","0.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H64 Cl2 Cu2 N8 O P2 -","- C53 H64 Cl2 Cu2 N8 O P2 -","- C212 H256 Cl8 Cu8 N32 O4 P8 -","4","1","","Ferraro, Valentina; Gan, Xuemin; Rehak, Florian R.; Ralle, Philipp; Nieger, Martin; Steffen, Andreas; Klopper, Wim; Bräse, Stefan","Blue to yellow-emitting neutral Cu(i) complexes with μ-bridging 1,2,4-triazole: synthesis, photophysical characterization and DFT calculations","New Journal of Chemistry","2025","49","29","12468","12475","10.1039/D5NJ01056J","","","1.54178","CuKα","","0.0411","0.0394","","","0.1139","0.1163","","","","","","1.025","","","","has coordinates","301614","2025-08-05","22:20:14",""
"7063750","8.6661","0.0014","10.8999","0.0017","12.625","0.002","94.687","0.007","109.046","0.007","90.99","0.007","1122.3","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 Cu2 F4 N8 O P2 -","- C44 H40 Cu2 F4 N8 P2 -","- C44 H40 Cu2 F4 N8 P2 -","1","0.5","","Ferraro, Valentina; Gan, Xuemin; Rehak, Florian R.; Ralle, Philipp; Nieger, Martin; Steffen, Andreas; Klopper, Wim; Bräse, Stefan","Blue to yellow-emitting neutral Cu(i) complexes with μ-bridging 1,2,4-triazole: synthesis, photophysical characterization and DFT calculations","New Journal of Chemistry","2025","49","29","12468","12475","10.1039/D5NJ01056J","","","1.54178","CuKα","","0.0644","0.0559","","","0.1463","0.1544","","","","","","1.053","","","","has coordinates","301614","2025-08-05","22:20:14",""
"7063751","10.0042","0.0002","16.6493","0.0003","13.2435","0.0002","90","","100.156","0.001","90","","2171.31","0.07","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Cu2 N8 P2 -","- C48 H48 Cu2 N8 P2 -","- C96 H96 Cu4 N16 P4 -","2","0.5","","Ferraro, Valentina; Gan, Xuemin; Rehak, Florian R.; Ralle, Philipp; Nieger, Martin; Steffen, Andreas; Klopper, Wim; Bräse, Stefan","Blue to yellow-emitting neutral Cu(i) complexes with μ-bridging 1,2,4-triazole: synthesis, photophysical characterization and DFT calculations","New Journal of Chemistry","2025","49","29","12468","12475","10.1039/D5NJ01056J","","","1.54178","CuKα","","0.0354","0.0347","","","0.095","0.0957","","","","","","1.105","","","","has coordinates","301614","2025-08-05","22:20:14",""
"7063752","11.9021","0.0006","13.9102","0.0007","12.7558","0.0006","90","","96.78","0.002","90","","2097.09","0.18","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Cu2 N10 P2 -","- C42 H42 Cu2 N10 P2 -","- C84 H84 Cu4 N20 P4 -","2","0.5","","Ferraro, Valentina; Gan, Xuemin; Rehak, Florian R.; Ralle, Philipp; Nieger, Martin; Steffen, Andreas; Klopper, Wim; Bräse, Stefan","Blue to yellow-emitting neutral Cu(i) complexes with μ-bridging 1,2,4-triazole: synthesis, photophysical characterization and DFT calculations","New Journal of Chemistry","2025","49","29","12468","12475","10.1039/D5NJ01056J","","","1.54178","CuKα","","0.0285","0.0278","","","0.0779","0.0786","","","","","","1.051","","","","has coordinates","301614","2025-08-05","22:20:14",""
"7063753","14.2166","0.0006","18.8967","0.0007","11.7669","0.0005","90","","101.305","0.002","90","","3099.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cu F12 N3 O7 -","- C24 H22 Cu F12 N3 O7 -","- C96 H88 Cu4 F48 N12 O28 -","4","1","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","0.71073","MoKα","","0.1256","0.0423","","","0.0764","0.0927","","","","","","0.799","","","","has coordinates,has disorder","301072","2025-07-06","17:39:19",""
"7063754","10.6583","0.0003","11.4385","0.0004","14.7135","0.0004","101.619","0.0014","91.641","0.0015","117.015","0.0014","1550.43","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 Cu2 F24 N6 O14 -","- C48 H44 Cu2 F24 N6 O14 -","- C48 H44 Cu2 F24 N6 O14 -","1","0.5","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","1.54178","CuKα","","0.0506","0.0425","","","0.1156","0.1249","","","","","","1.021","","","","has coordinates,has disorder","301072","2025-07-06","17:39:21",""
"7063755","9.9004","0.0006","11.1739","0.0007","15.218","0.0009","94.67","0.003","105.3","0.003","113.986","0.003","1449.21","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H17 Br Cu F12 N3 O6 -","- C22 H17 Br Cu F12 N3 O6 -","- C44 H34 Br2 Cu2 F24 N6 O12 -","2","1","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","1.54178","CuKα","","0.06","0.0556","","","0.1673","0.1701","","","","","","1.074","","","","has coordinates,has disorder","301072","2025-07-06","17:39:21",""
"7063756","10.0433","0.0007","11.4576","0.0008","15.501","0.0011","70.884","0.003","83.932","0.003","67.474","0.003","1556.39","0.19","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Cu F12 N3 O6 -","- C25 H24 Cu F12 N3 O6 -","- C50 H48 Cu2 F24 N6 O12 -","2","1","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","1.54178","CuKα","","0.0405","0.0379","","","0.1048","0.1078","","","","","","1.027","","","","has coordinates,has disorder","301072","2025-07-06","17:39:21",""
"7063757","9.8746","0.0003","11.1848","0.0003","15.1435","0.0004","94.536","0.002","105.712","0.002","113.245","0.001","1446.28","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H34 Cl2 Cu2 F24 N6 O12 -","- C44 H34 Cl2 Cu2 F24 N6 O12 -","- C44 H34 Cl2 Cu2 F24 N6 O12 -","1","0.5","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","0.71073","MoKα","","0.071","0.041","","","0.0977","0.1074","","","","","","0.932","","","","has coordinates,has disorder","301072","2025-07-06","17:39:21",""
"7063758","12.9249","0.0011","15.5532","0.0013","19.602","0.0017","97.26","0.004","108.948","0.005","113.736","0.004","3257.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Cu F12 N3 O6 -","- C25 H24 Cu F12 N3 O6 -","- C100 H96 Cu4 F48 N12 O24 -","4","2","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","0.71073","MoKα","","0.0968","0.0486","","","0.1305","0.1547","","","","","","1.039","","","","has coordinates,has disorder","301072","2025-07-06","17:39:21",""
"7063759","10.126","0.0002","11.9623","0.0004","15.7188","0.0004","93.6043","0.0016","108.714","0.0011","115.597","0.0011","1580.48","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H44 Cu2 F24 N6 O12 -","- C56 H44 Cu2 F24 N6 O12 -","- C56 H44 Cu2 F24 N6 O12 -","1","0.5","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","1.54178","CuKα","","0.0538","0.0484","","","0.1246","0.1293","","","","","","1.046","","","","has coordinates,has disorder","301072","2025-07-06","17:39:21",""
"7063760","14.4037","0.0009","14.0717","0.0009","16.2483","0.001","90","","115.139","0.004","90","","2981.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 Cu2 F24 N6 O14 -","- C46 H40 Cu2 F24 N6 O14 -","- C92 H80 Cu4 F48 N12 O28 -","2","0.5","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","0.71073","MoKα","","0.0799","0.0362","","","0.0747","0.0837","","","","","","0.857","","","","has coordinates,has disorder","301072","2025-07-06","17:39:21",""
"7063761","10.1299","0.0003","11.8398","0.0003","15.6339","0.0004","93.9306","0.0013","108.441","0.0012","115.341","0.0012","1561.48","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H44 Cu2 F24 N6 O12 -","- C56 H44 Cu2 F24 N6 O12 -","- C56 H44 Cu2 F24 N6 O12 -","1","0.5","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","1.54178","CuKα","","0.0498","0.0465","","","0.1227","0.1256","","","","","","1.063","","","","has coordinates,has disorder","301072","2025-07-06","17:39:21",""
"7063762","10.1333","0.0003","11.757","0.0004","15.5832","0.0005","94.2706","0.0015","108.246","0.0015","115.187","0.0014","1548.26","0.09","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H44 Cu2 F24 N6 O12 -","- C56 H44 Cu2 F24 N6 O12 -","- C56 H44 Cu2 F24 N6 O12 -","1","0.5","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","1.54178","CuKα","","0.0476","0.044","","","0.1145","0.1175","","","","","","1.031","","","","has coordinates,has disorder","301072","2025-07-06","17:39:21",""
"7063763","10.3312","0.0005","11.2769","0.0006","15.3209","0.0007","72.939","0.003","72.059","0.003","64.992","0.003","1511.14","0.14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H40 Cu2 F24 N6 O12 S2 -","- C52 H40 Cu2 F24 N6 O12 S2 -","- C52 H40 Cu2 F24 N6 O12 S2 -","1","0.5","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","0.71073","MoKα","","0.0896","0.0503","","","0.1134","0.1331","","","","","","1.005","","","","has coordinates,has disorder","301072","2025-07-06","17:39:21",""
"7063764","13.56","0.004","13.632","0.004","15.472","0.005","108.589","0.006","95.635","0.006","108.934","0.005","2498.4","1.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cu2 F24 N3 O10 -","- C38 H30 Cu2 F24 N3 O10 -","- C76 H60 Cu4 F48 N6 O20 -","2","1","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","0.71073","MoKα","","0.094","0.0398","","","0.0859","0.1003","","","","","","0.822","","","","has coordinates,has disorder","301072","2025-07-06","17:39:21",""
"7063765","10.3236","0.0008","11.3283","0.0009","15.4538","0.0012","72.418","0.005","71.96","0.005","65.621","0.004","1533.2","0.2","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H40 Cu2 F24 N6 O12 S2 -","- C52 H40 Cu2 F24 N6 O12 S2 -","- C52 H40 Cu2 F24 N6 O12 S2 -","1","0.5","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","0.71073","MoKα","","0.0912","0.0544","","","0.1322","0.1472","","","","","","1.048","","","","has coordinates,has disorder","301072","2025-07-06","17:39:21",""
"7063766","10.1211","0.0005","11.8936","0.0007","15.7645","0.0008","94.128","0.004","108.514","0.004","114.163","0.004","1596.44","0.17","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H44 Cu2 F24 N6 O12 -","- C56 H44 Cu2 F24 N6 O12 -","- C56 H44 Cu2 F24 N6 O12 -","1","0.5","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","1.54178","CuKα","","0.1032","0.0618","","","0.1556","0.1812","","","","","","1.022","","","","has coordinates,has disorder","301072","2025-07-06","17:39:21",""
"7063767","12.8787","0.0004","15.4515","0.0005","19.9472","0.0007","69.652","0.002","71.759","0.002","66.608","0.002","3344.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H104 Cu4 F48 N12 O24 -","- C108 H104 Cu4 F48 N12 O24 -","- C108 H104 Cu4 F48 N12 O24 -","1","0.5","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","0.71073","MoKα","","0.1822","0.0537","","","0.1113","0.1505","","","","","","0.955","","","","has coordinates,has disorder","301072","2025-07-06","17:39:21",""
"7063768","10.3383","0.0009","11.3546","0.001","15.5573","0.0014","72.304","0.005","71.704","0.005","66.374","0.005","1554.9","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H40 Cu2 F24 N6 O12 S2 -","- C52 H40 Cu2 F24 N6 O12 S2 -","- C52 H40 Cu2 F24 N6 O12 S2 -","1","0.5","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","0.71073","MoKα","","0.0852","0.0504","","","0.1301","0.1508","","","","","","1.036","","","","has coordinates,has disorder","301072","2025-07-06","17:39:21",""
"7063769","10.129","0.0006","11.3259","0.0007","15.4203","0.0009","97.324","0.003","103.008","0.004","116.335","0.003","1491.47","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H34 Cu2 F30 N6 O12 -","- C46 H34 Cu2 F30 N6 O12 -","- C46 H34 Cu2 F30 N6 O12 -","1","0.5","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","0.71073","MoKα","","0.1296","0.046","","","0.0957","0.1141","","","","","","0.84","","","","has coordinates,has disorder","301072","2025-07-06","17:39:21",""
"7063770","10.3562","0.0006","11.3841","0.0007","15.6769","0.0009","72.469","0.003","71.725","0.003","67.095","0.003","1582.36","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H40 Cu2 F24 N6 O12 S2 -","- C52 H40 Cu2 F24 N6 O12 S2 -","- C52 H40 Cu2 F24 N6 O12 S2 -","1","0.5","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","0.71073","MoKα","","0.0972","0.0459","","","0.116","0.1324","","","","","","0.935","","","","has coordinates,has disorder","301072","2025-07-06","17:39:21",""
"7063771","10.1383","0.0004","11.9217","0.0005","15.8104","0.0006","94.3542","0.0018","108.319","0.0016","113.697","0.0018","1615.55","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H44 Cu2 F24 N6 O12 -","- C56 H44 Cu2 F24 N6 O12 -","- C56 H44 Cu2 F24 N6 O12 -","1","0.5","","Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.","Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties","New Journal of Chemistry","2025","49","18","7655","7660","10.1039/D5NJ00967G","","","1.54178","CuKα","","0.0578","0.051","","","0.1451","0.1514","","","","","","1.046","","","","has coordinates,has disorder","301072","2025-07-06","17:39:21",""
"7063772","6.229","0.0007","8.9609","0.0011","17.0384","0.0019","103.426","0.003","94.535","0.003","100.782","0.003","901.22","0.18","273.15","","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H16 O -","- C27 H16 O -","- C54 H32 O2 -","2","1","","Ji, Yao; Meng, Xin; Han, Jia’ao; Liu, Yanchen; Tang, Jian; He, Yuanchun; Zhang, Ensheng; Zhang, Xiaoxiang; Cao, Ziping","Dual space-conjugated pyrene-based ketone exhibits dual state-tuned emission wavelengths and enhanced circularly polarized luminescence","New Journal of Chemistry","2025","49","20","8428","8436","10.1039/D4NJ05310A","","","0.71073","MoKα","","0.0968","0.0465","","","0.1107","0.1367","","","","","","1.019","","","","has coordinates","301065","2025-07-06","17:35:50",""
"7063773","8.1952","0.0009","8.1952","0.0009","52.758","0.008","90","","90","","90","","3543.3","0.8","273.15","","273.15","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C54 H30 O2 -","- C54 H30 O2 -","- C216 H120 O8 -","4","0.5","","Ji, Yao; Meng, Xin; Han, Jia’ao; Liu, Yanchen; Tang, Jian; He, Yuanchun; Zhang, Ensheng; Zhang, Xiaoxiang; Cao, Ziping","Dual space-conjugated pyrene-based ketone exhibits dual state-tuned emission wavelengths and enhanced circularly polarized luminescence","New Journal of Chemistry","2025","49","20","8428","8436","10.1039/D4NJ05310A","","","0.71073","MoKα","","0.0793","0.0537","","","0.1328","0.147","","","","","","1.063","","","","has coordinates","301065","2025-07-06","17:35:50",""
"7063774","5.053","0.002","10.6","0.005","14.685","0.006","106.032","0.015","95.71","0.015","91.249","0.016","751.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 F3 N O2 -","- C18 H12 F3 N O2 -","- C36 H24 F6 N2 O4 -","2","1","","Chávez-Vega, Tomás; Galdámez, Antonio; Lühr, Susan; Vilches-Herrera, Marcelo","Photocatalytic Heck–Matsuda reaction: selective arylation of N-vinyl- and N-allyl-lactams using Pd2(dba)3","New Journal of Chemistry","2025","49","22","9416","9420","10.1039/D4NJ05413J","","","0.71073","MoKα","","0.1391","0.096","","","0.2706","0.3154","","","","","","1.071","","","","has coordinates","301031","2025-07-06","17:28:46",""
"7063775","7.3502","0.0019","14.305","0.004","17.919","0.005","89.373","0.01","86.466","0.01","79.435","0.01","1848.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Cl2 N8 O2 Zn -","- C14 H12 Cl2 N8 O2 Zn -","- C56 H48 Cl8 N32 O8 Zn4 -","4","2","","Gnanadeepam, Yakkobu; Shankar, Bhaskaran; Tamilselvi, Arunachalam","Anticancer activity: synthesis, characterization and DNA binding of a 1,2,4-triazole-based Zn(ii) complex","New Journal of Chemistry","2025","49","20","8215","8224","10.1039/D4NJ05463F","","","0.71073","MoKα","","0.0314","0.029","","","0.076","0.0772","","","","","","1.088","","","","has coordinates","301062","2025-07-06","17:35:26",""
"7063776","5.4928","0.0001","9.4925","0.0003","14.3453","0.0005","90","","98.819","0.003","90","","739.13","0.04","298.69","0.18","298.69","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N4 O -","- C7 H6 N4 O -","- C28 H24 N16 O4 -","4","1","","Gnanadeepam, Yakkobu; Shankar, Bhaskaran; Tamilselvi, Arunachalam","Anticancer activity: synthesis, characterization and DNA binding of a 1,2,4-triazole-based Zn(ii) complex","New Journal of Chemistry","2025","49","20","8215","8224","10.1039/D4NJ05463F","","x-ray","0.71073","MoKα","","0.0471","0.0419","","","0.1107","0.1163","","","","","","1.104","","","","has coordinates","301062","2025-07-06","17:35:26",""
"7063777","10.9568","0.0003","11.8761","0.0003","22.773","0.0007","80.457","0.001","76.703","0.001","70.941","0.001","2712.51","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H42 F9 O11 P2 Tb -","- C60 H42 F9 O11 P2 Tb -","- C120 H84 F18 O22 P4 Tb2 -","2","1","","Polikovskiy, Trofim A.; Gontcharenko, Victoria E.; Ivanova, Anna A.; Metlina, Darya A.; Kiskin, Mikhail A.; Taydakov, Ilya V.; Belousov, Yury A.","Real world luminescence thermometry through a novel mixed-metal Eu/Tb complex with furan-containing 1,3-diketone","New Journal of Chemistry","2025","49","22","9214","9225","10.1039/D5NJ00914F","","","0.71073","MoKα","","0.0638","0.0455","","","0.0899","0.0958","","","","","","1.028","","","","has coordinates","301032","2025-07-06","17:28:57",""
"7063778","10.9872","0.0006","11.9498","0.0007","22.8307","0.0013","80.381","0.002","76.839","0.002","70.971","0.002","2745.2","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H42 Eu F9 O11 P2 -","- C60 H42 Eu F9 O11 P2 -","- C120 H84 Eu2 F18 O22 P4 -","2","1","","Polikovskiy, Trofim A.; Gontcharenko, Victoria E.; Ivanova, Anna A.; Metlina, Darya A.; Kiskin, Mikhail A.; Taydakov, Ilya V.; Belousov, Yury A.","Real world luminescence thermometry through a novel mixed-metal Eu/Tb complex with furan-containing 1,3-diketone","New Journal of Chemistry","2025","49","22","9214","9225","10.1039/D5NJ00914F","","","0.71073","MoKα","","0.0635","0.0443","","","0.0738","0.0843","","","","","","1.09","","","","has coordinates","301032","2025-07-06","17:29:06",""
"7063779","11.0181","0.0006","11.9586","0.0006","22.8961","0.0012","80.485","0.002","76.757","0.002","70.868","0.002","2761","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H42 F9 Gd O11 P2 -","- C60 H42 F9 Gd O11 P2 -","- C120 H84 F18 Gd2 O22 P4 -","2","1","","Polikovskiy, Trofim A.; Gontcharenko, Victoria E.; Ivanova, Anna A.; Metlina, Darya A.; Kiskin, Mikhail A.; Taydakov, Ilya V.; Belousov, Yury A.","Real world luminescence thermometry through a novel mixed-metal Eu/Tb complex with furan-containing 1,3-diketone","New Journal of Chemistry","2025","49","22","9214","9225","10.1039/D5NJ00914F","","","0.71073","MoKα","","0.0665","0.0435","","","0.0712","0.0825","","","","","","1.054","","","","has coordinates","301032","2025-07-06","17:29:07",""
"7063780","16.768","0.0009","7.8383","0.0003","17.1786","0.001","90","","109.761","0.006","90","","2124.9","0.2","296.15","0.1","296.15","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 S2 -","- C28 H22 S2 -","- C112 H88 S8 -","4","1","","Shen, Shan-Shan; Xiao, Ya-Ting; Bai, Zhe-Hao; Gan, Zi-Yang; Ding, Ye-Hao; Yan, Jian-Feng; Li, Yuan-Ming; Geng, Yan-Hou; Yuan, Yao-Feng","Synthesis, structure and electronic transport properties of phenanthrenone derivatives","New Journal of Chemistry","2025","49","22","9177","9184","10.1039/D5NJ00857C","","x-ray","0.71073","MoKα","","0.0806","0.0483","","","0.1077","0.1208","","","","","","1.063","","","","has coordinates","301028","2025-07-06","17:28:03",""
"7063781","10.2762","0.0005","11.0227","0.0004","11.6637","0.0006","65.358","0.004","84.73","0.004","63.792","0.004","1070.47","0.1","296.15","0.1","296.15","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C29 H22 S2 -","- C29 H22 S2 -","- C58 H44 S4 -","2","1","","Shen, Shan-Shan; Xiao, Ya-Ting; Bai, Zhe-Hao; Gan, Zi-Yang; Ding, Ye-Hao; Yan, Jian-Feng; Li, Yuan-Ming; Geng, Yan-Hou; Yuan, Yao-Feng","Synthesis, structure and electronic transport properties of phenanthrenone derivatives","New Journal of Chemistry","2025","49","22","9177","9184","10.1039/D5NJ00857C","","x-ray","0.71073","MoKα","","0.1294","0.0635","","","0.1246","0.1568","","","","","","1.038","","","","has coordinates","301028","2025-07-06","17:28:04",""
"7063782","10.1764","0.0006","11.0252","0.0009","11.7176","0.0008","66.231","0.007","86.74","0.005","63.175","0.007","1061.04","0.17","296.15","0.1","296.15","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 O S2 -","- C29 H20 O S2 -","- C58 H40 O2 S4 -","2","1","","Shen, Shan-Shan; Xiao, Ya-Ting; Bai, Zhe-Hao; Gan, Zi-Yang; Ding, Ye-Hao; Yan, Jian-Feng; Li, Yuan-Ming; Geng, Yan-Hou; Yuan, Yao-Feng","Synthesis, structure and electronic transport properties of phenanthrenone derivatives","New Journal of Chemistry","2025","49","22","9177","9184","10.1039/D5NJ00857C","","x-ray","0.71073","MoKα","","0.1354","0.06","","","0.1107","0.1376","","","","","","1.037","","","","has coordinates","301028","2025-07-06","17:28:04",""
"7063783","10.2519","0.0008","10.7695","0.0006","12.0148","0.0006","66.426","0.005","85.195","0.005","64.595","0.007","1092.05","0.15","296.15","0.1","296.15","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 O S2 -","- C29 H21.7 O S2 -","- C58 H43.4 O2 S4 -","2","1","","Shen, Shan-Shan; Xiao, Ya-Ting; Bai, Zhe-Hao; Gan, Zi-Yang; Ding, Ye-Hao; Yan, Jian-Feng; Li, Yuan-Ming; Geng, Yan-Hou; Yuan, Yao-Feng","Synthesis, structure and electronic transport properties of phenanthrenone derivatives","New Journal of Chemistry","2025","49","22","9177","9184","10.1039/D5NJ00857C","","x-ray","0.71073","MoKα","","0.1424","0.0631","","","0.1272","0.1558","","","","","","1.037","","","","has coordinates,has disorder","301028","2025-07-06","17:28:04",""
"7063784","6.7257","0.0001","20.8422","0.0004","20.1942","0.0004","90","","99.507","0.001","90","","2791.91","0.09","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Ca3 O24 -","- C18 H30 Ca3 O24 -","- C72 H120 Ca12 O96 -","4","0.5","","Jin, Xiaoqi; Li, Zongqun; Ge, Jinlong; Zhu, Linlin; Liu, Caiyan; Li, Qiu; Liu, Jing; Yin, Chenlin; Su, Gaoyu","Rapid synthesis of MOF CaBTC using an ultrasonic irradiation method and its derivative materials for CO2 capture","New Journal of Chemistry","2025","49","22","9395","9407","10.1039/D5NJ00301F","","","0.71073","MoKα","","0.0625","0.0408","","","0.1029","0.1162","","","","","","0.947","","","","has coordinates","301034","2025-07-06","17:29:31",""
"7063785","9.2493","0.0005","23.7341","0.0013","10.6004","0.0005","90","","90","","90","","2327","0.2","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C6 H24 Cu I5 Mn N6 Pb -","- C6 H24 Cu I5 Mn N6 Pb -","- C24 H96 Cu4 I20 Mn4 N24 Pb4 -","4","1","","Ren, Taohong; Zhu, Hongjin; Yang, Xiao; Jia, Dingxian","Heterometallic lead-iodocuprate hybrids with transition-metal complexes: syntheses, structures, photoelectricity and photocatalysis","New Journal of Chemistry","2025","49","23","9669","9677","10.1039/D5NJ00483G","","","0.71073","MoKα","","0.05","0.0366","","","0.0645","0.0709","","","","","","0.956","","","","has coordinates","301073","2025-07-06","17:39:35",""
"7063786","9.2145","0.0018","23.643","0.005","10.589","0.002","90","","90","","90","","2306.9","0.8","223","2","223","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C6 H24 Cu Fe I5 N6 Pb -","- C6 H24 Cu Fe I5 N6 Pb -","- C24 H96 Cu4 Fe4 I20 N24 Pb4 -","4","1","","Ren, Taohong; Zhu, Hongjin; Yang, Xiao; Jia, Dingxian","Heterometallic lead-iodocuprate hybrids with transition-metal complexes: syntheses, structures, photoelectricity and photocatalysis","New Journal of Chemistry","2025","49","23","9669","9677","10.1039/D5NJ00483G","","","0.71073","MoKα","","0.0473","0.0385","","","0.0668","0.0693","","","","","","1.114","","","","has coordinates","301073","2025-07-06","17:39:35",""
"7063787","9.1008","0.0018","23.247","0.005","10.511","0.002","90","","90","","90","","2223.8","0.8","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C6 H24 Cu I5 N6 Ni Pb -","- C6 H24 Cu I5 N6 Ni Pb -","- C24 H96 Cu4 I20 N24 Ni4 Pb4 -","4","1","","Ren, Taohong; Zhu, Hongjin; Yang, Xiao; Jia, Dingxian","Heterometallic lead-iodocuprate hybrids with transition-metal complexes: syntheses, structures, photoelectricity and photocatalysis","New Journal of Chemistry","2025","49","23","9669","9677","10.1039/D5NJ00483G","","","0.71073","MoKα","","0.0285","0.0256","","","0.0581","0.0594","","","","","","1.04","","","","has coordinates","301073","2025-07-06","17:39:35",""
"7063788","16.877","0.005","23.183","0.007","4.0775","0.0012","90","","90","","90","","1595.4","0.8","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C6 H8 N6 -","- C6 H8 N6 -","- C48 H64 N48 -","8","0.5","","Li, Hao; Zhang, Guang-yuan; Du, Ning-ning; Zhan, Le-wu; Hou, Jing; Li, Bin-dong","4,4′-Dimethyl-1,1′-bi(1,2,3-triazole): exploring new insensitive energy source materials","New Journal of Chemistry","2025","49","20","8437","8441","10.1039/D5NJ00679A","","","0.71073","MoKα","","0.0504","0.0376","","","0.0917","0.0982","","","","","","1.045","","","","has coordinates","301063","2025-07-06","17:35:34",""
"7063789","7.6557","0.0016","9.109","0.002","10.049","0.002","80.505","0.008","69.6","0.007","78.742","0.007","640.6","0.2","161.6","","161.6","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 N2 O3 S2 -","- C11 H10 N2 O3 S2 -","- C22 H20 N4 O6 S4 -","2","1","","Sarkar, Prabhat; Paul, Shuba; Das, Supratim; Chowdhury, Tania; Mandal, Subham; Goswami, Sanchita; Bhaumik, Asim; Mukhopadhyay, Chhanda","tert-Butylnitrite promoted one-component based direct synthesis of 2-cyano substituted maleimide probes and their fluorescence turn-off sensing towards Fe3+","New Journal of Chemistry","2025","49","22","9484","9490","10.1039/D4NJ05011H","","x-ray","0.71073","MoKα","","0.0788","0.0751","","","0.2096","0.2177","","","","","","1.066","","","","has coordinates","301033","2025-07-06","17:29:16",""
"7063790","7.1679","0.0004","7.7218","0.0004","10.2127","0.0005","96.893","0.002","90.608","0.002","107.975","0.002","533.11","0.05","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 N2 O3 -","- C12 H8 N2 O3 -","- C24 H16 N4 O6 -","2","1","","Sarkar, Prabhat; Paul, Shuba; Das, Supratim; Chowdhury, Tania; Mandal, Subham; Goswami, Sanchita; Bhaumik, Asim; Mukhopadhyay, Chhanda","tert-Butylnitrite promoted one-component based direct synthesis of 2-cyano substituted maleimide probes and their fluorescence turn-off sensing towards Fe3+","New Journal of Chemistry","2025","49","22","9484","9490","10.1039/D4NJ05011H","","x-ray","1.54178","CuKα","","0.064","0.0608","","","0.1907","0.1951","","","","","","1.034","","","","has coordinates","301033","2025-07-06","17:29:16",""
"7063791","7.644","0.002","9.249","0.003","11.944","0.003","99.468","0.012","105.94","0.011","91.566","0.013","798.6","0.4","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- B10 H14 N2 O19 -","- B10 H14 N2 O19 -","- B20 H28 N4 O38 -","2","1","","Jiang, Yansheng; Jia, Hangwei; Wang, Wenhu; Arif, Muhammad; Yan, Xiuling; Hou, Xueling","Cation tuning in anionic framework hydroborates: tailored deep-ultraviolet optical crystals with large birefringence","New Journal of Chemistry","2025","49","21","8908","8913","10.1039/D5NJ01198A","","","0.71073","MoKα","","0.0488","0.0404","","","0.1041","0.1125","","","","","","1.052","","","","has coordinates,has disorder","301079","2025-07-06","17:41:26",""
"7063792","5.5381","0.0017","9.068","0.002","13.559","0.004","90","","91.605","0.009","90","","680.7","0.3","110","2","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B5 H2 Li O9 -","- B5 H2 Li O9 -","- B20 H8 Li4 O36 -","4","1","","Jiang, Yansheng; Jia, Hangwei; Wang, Wenhu; Arif, Muhammad; Yan, Xiuling; Hou, Xueling","Cation tuning in anionic framework hydroborates: tailored deep-ultraviolet optical crystals with large birefringence","New Journal of Chemistry","2025","49","21","8908","8913","10.1039/D5NJ01198A","","","0.71073","MoKα","","0.0846","0.0511","","","0.1107","0.1305","","","","","","1.051","","","","has coordinates","301079","2025-07-06","17:41:26",""
"7063793","7.601","0.004","9.211","0.004","11.809","0.006","98.805","0.018","106.617","0.019","91.53","0.02","780.7","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- B10 H8 K1.5 N0.5 O19 -","- B10 H8 K1.5 N0.5 O19 -","- B20 H16 K3 N O38 -","2","1","","Jiang, Yansheng; Jia, Hangwei; Wang, Wenhu; Arif, Muhammad; Yan, Xiuling; Hou, Xueling","Cation tuning in anionic framework hydroborates: tailored deep-ultraviolet optical crystals with large birefringence","New Journal of Chemistry","2025","49","21","8908","8913","10.1039/D5NJ01198A","","","0.71073","MoKα","","0.0625","0.0495","","","0.1311","0.1495","","","","","","1.068","","","","has coordinates","301079","2025-07-06","17:41:26",""
"7063794","7.7386","0.0013","9.1876","0.0017","12.178","0.002","98.919","0.007","106.626","0.006","91.351","0.007","817.5","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- B10 Cs1.3 H8.8 N0.7 O19 -","- B10 Cs1.3 H8.8 N0.7 O19 -","- B20 Cs2.6 H17.6 N1.4 O38 -","2","1","","Jiang, Yansheng; Jia, Hangwei; Wang, Wenhu; Arif, Muhammad; Yan, Xiuling; Hou, Xueling","Cation tuning in anionic framework hydroborates: tailored deep-ultraviolet optical crystals with large birefringence","New Journal of Chemistry","2025","49","21","8908","8913","10.1039/D5NJ01198A","","","0.71073","MoKα","","0.0418","0.0385","","","0.1109","0.1141","","","","","","1.123","","","","has coordinates,has disorder","301079","2025-07-06","17:41:26",""
"7063795","11.2894","0.0006","30.7788","0.0017","14.4437","0.0008","90","","103.097","0.002","90","","4888.3","0.5","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H36 B21 Cl2 F10 N3 S2 -","- C37 H36 B21 Cl2 F10 N3 S2 -","- C148 H144 B84 Cl8 F40 N12 S8 -","4","1","","Zaitsev, Andrei V.; Smol’yakov, Alexander F.; Kononova, Elena G.; Ol'shevskaya, Valentina A.","Novel aza-BODIPY-carborane conjugates: synthesis and characterization","New Journal of Chemistry","2025","49","21","9035","9042","10.1039/D5NJ01231G","","","0.71073","MoKα","","0.0785","0.0666","","","0.2096","0.2195","","","","","","1.126","","","","has coordinates","301078","2025-07-06","17:41:03",""
"7063796","9.9919","0.001","29.834","0.003","23.1038","0.0019","90","","91.643","0.004","90","","6884.4","1.1","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 B41 F10 N3 S4 -","- C40 H54 B41 F10 N3 S4 -","- C160 H216 B164 F40 N12 S16 -","4","1","","Zaitsev, Andrei V.; Smol’yakov, Alexander F.; Kononova, Elena G.; Ol'shevskaya, Valentina A.","Novel aza-BODIPY-carborane conjugates: synthesis and characterization","New Journal of Chemistry","2025","49","21","9035","9042","10.1039/D5NJ01231G","","","0.71073","MoKα","","0.1024","0.0683","","","0.1697","0.1877","","","","","","1.027","","","","has coordinates","301078","2025-07-06","17:41:03",""
"7063797","14.4795","0.0018","7.2223","0.0008","25.558","0.003","90","","91.254","0.006","90","","2672.1","0.5","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H12 B F12 N3 -","- C32 H12 B F12 N3 -","- C128 H48 B4 F48 N12 -","4","1","","Zaitsev, Andrei V.; Smol’yakov, Alexander F.; Kononova, Elena G.; Ol'shevskaya, Valentina A.","Novel aza-BODIPY-carborane conjugates: synthesis and characterization","New Journal of Chemistry","2025","49","21","9035","9042","10.1039/D5NJ01231G","","","0.71073","MoKα","","0.1662","0.0579","","","0.1091","0.1344","","","","","","0.891","","","","has coordinates","301078","2025-07-06","17:41:03",""
"7063798","20.233","0.0006","10.6778","0.0003","22.994","0.0007","90","","94.519","0.001","90","","4952.3","0.3","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 B21 Cl2 F2 N3 S2 -","- C37 H44 B21 Cl2 F2 N3 S2 -","- C148 H176 B84 Cl8 F8 N12 S8 -","4","1","","Zaitsev, Andrei V.; Smol’yakov, Alexander F.; Kononova, Elena G.; Ol'shevskaya, Valentina A.","Novel aza-BODIPY-carborane conjugates: synthesis and characterization","New Journal of Chemistry","2025","49","21","9035","9042","10.1039/D5NJ01231G","","","0.71073","MoKα","","0.0765","0.0635","","","0.181","0.1892","","","","","","1.022","","","","has coordinates","301078","2025-07-06","17:41:03",""
"7063799","21.5516","0.0005","4.8384","0.0001","28.6806","0.0007","90","","93.393","0.002","90","","2985.43","0.12","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cl2 N6 O10 S2 Zn -","- C24 H26 Cl2 N6 O10 S2 Zn -","- C96 H104 Cl8 N24 O40 S8 Zn4 -","4","0.5","","Podjed, Nina; Uranjek, Zarja; Cerc Korošec, Romana; Hrast Rambaher, Martina; Golob, Majda; Modec, Barbara","On zinc(ii) coordination chemistry with furosemide: a journey from a mononuclear complex to a coordination polymer","New Journal of Chemistry","2025","49","22","9113","9122","10.1039/D5NJ01438G","","x-ray","1.54184","CuKα","","0.044","0.0358","","","0.0883","0.0956","","","","","","1.059","","","","has coordinates","301030","2025-07-06","17:28:37",""
"7063800","8.18826","0.00007","4.75496","0.00004","36.8598","0.0003","90","","91.2793","0.0008","90","","1434.77","0.02","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl N3 O5 S -","- C12 H14 Cl N3 O5 S -","- C48 H56 Cl4 N12 O20 S4 -","4","1","","Podjed, Nina; Uranjek, Zarja; Cerc Korošec, Romana; Hrast Rambaher, Martina; Golob, Majda; Modec, Barbara","On zinc(ii) coordination chemistry with furosemide: a journey from a mononuclear complex to a coordination polymer","New Journal of Chemistry","2025","49","22","9113","9122","10.1039/D5NJ01438G","","x-ray","1.54184","CuKα","","0.0412","0.0407","","","0.1138","0.1143","","","","","","1.1","","","","has coordinates","301030","2025-07-06","17:28:38",""
"7063801","21.0265","0.0002","9.3017","0.0001","34.366","0.0003","90","","93.7","0.001","90","","6707.37","0.11","150","0.1","150","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C66 H52 Cl2 N8 O20 S2 Zn3 -","- C66 H52 Cl2 N8 O20 S2 Zn3 -","- C264 H208 Cl8 N32 O80 S8 Zn12 -","4","0.5","","Podjed, Nina; Uranjek, Zarja; Cerc Korošec, Romana; Hrast Rambaher, Martina; Golob, Majda; Modec, Barbara","On zinc(ii) coordination chemistry with furosemide: a journey from a mononuclear complex to a coordination polymer","New Journal of Chemistry","2025","49","22","9113","9122","10.1039/D5NJ01438G","","x-ray","1.54184","CuKα","","0.0332","0.0318","","","0.0823","0.0836","","","","","","1.071","","","","has coordinates","301030","2025-07-06","17:28:38",""
"7063802","19.322","0.002","6.6317","0.0007","26.859","0.003","90","","106.8","0.005","90","","3294.8","0.6","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 B10 -","- C34 H28 B10 -","- C136 H112 B40 -","4","1","","Li, Na; Wu, Xueyan; Lv, Yan; Chi, Jinxia; Guo, Jixi","Fluoranthene–o-carborane dyads: exploring thermochromism and mechanochromism in crystalline systems","New Journal of Chemistry","2025","49","25","10530","10537","10.1039/D5NJ01482D","","","1.54178","CuKα","","0.118","0.0991","","","0.2916","0.3128","","","","","","1.255","","","","has coordinates","301061","2025-07-06","17:35:14",""
"7063803","10.4697","0.0008","24.564","0.002","7.2361","0.0006","90","","92.489","0.003","90","","1859.2","0.3","301","","301","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H20 B10 -","- C18 H20 B10 -","- C72 H80 B40 -","4","1","","Li, Na; Wu, Xueyan; Lv, Yan; Chi, Jinxia; Guo, Jixi","Fluoranthene–o-carborane dyads: exploring thermochromism and mechanochromism in crystalline systems","New Journal of Chemistry","2025","49","25","10530","10537","10.1039/D5NJ01482D","","x-ray","0.71073","MoKα","","0.0777","0.05","","","0.1282","0.1464","","","","","","1.044","","","","has coordinates","301061","2025-07-06","17:35:14",""
"7063804","6.7798","0.0003","10.5381","0.0005","24.4272","0.001","91.963","0.003","96.868","0.003","93.117","0.004","1728.68","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N6 O S -","- C18 H16 N6 O S -","- C72 H64 N24 O4 S4 -","4","2","","Aminov, Semen V.; Fedotov, Victor V.; Savateev, Konstantin V.; Neymash, Artyom O.; Ulomsky, Evgeny N.; Slepukhin, Pavel A.; Rusinov, Vladimir L.","ANRORC-type reactions of azolo[1,5-a]pyrimidine-6-carbonitriles with O- and N-nucleophiles","New Journal of Chemistry","2025","49","21","8627","8631","10.1039/D5NJ00255A","","","0.71073","MoKα","","0.0903","0.0553","","","0.1523","0.1848","","","","","","1.025","","","","has coordinates,has disorder","301077","2025-07-06","17:40:46",""
"7063805","6.6736","0.0004","7.4873","0.0004","22.8768","0.0014","90","","90","","90","","1143.09","0.12","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 N4 -","- C12 H12 N4 -","- C48 H48 N16 -","4","1","","Aminov, Semen V.; Fedotov, Victor V.; Savateev, Konstantin V.; Neymash, Artyom O.; Ulomsky, Evgeny N.; Slepukhin, Pavel A.; Rusinov, Vladimir L.","ANRORC-type reactions of azolo[1,5-a]pyrimidine-6-carbonitriles with O- and N-nucleophiles","New Journal of Chemistry","2025","49","21","8627","8631","10.1039/D5NJ00255A","","","0.71073","MoKα","","0.095","0.0563","","","0.1285","0.1557","","","","","","0.968","","","","has coordinates","301077","2025-07-06","17:40:46",""
"7063806","9.5201","0.0005","12.7114","0.0006","16.236","0.0008","99.885","0.004","93.772","0.004","106.915","0.004","1837.86","0.17","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H23 N7 -","- C18 H23 N7 -","- C72 H92 N28 -","4","2","","Aminov, Semen V.; Fedotov, Victor V.; Savateev, Konstantin V.; Neymash, Artyom O.; Ulomsky, Evgeny N.; Slepukhin, Pavel A.; Rusinov, Vladimir L.","ANRORC-type reactions of azolo[1,5-a]pyrimidine-6-carbonitriles with O- and N-nucleophiles","New Journal of Chemistry","2025","49","21","8627","8631","10.1039/D5NJ00255A","","","0.71073","MoKα","","0.1412","0.0694","","","0.1711","0.2261","","","","","","1.022","","","","has coordinates,has disorder","301077","2025-07-06","17:40:46",""
"7063807","8.77","0.0005","10.7512","0.0007","10.7578","0.0006","107.668","0.002","104.604","0.002","110.418","0.002","829.78","0.09","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 Cu N10 -","- C16 H14 Cu N10 -","- C32 H28 Cu2 N20 -","2","1","","Golubeva, Yu. A.; Smirnova, K. S.; Klyushova, L. S.; Berezin, A. S.; Lider, E. V.","Copper(ii) complexes based on 5-methyl-1H-tetrazole and 2,2′-bipyridine, 1,10-phenathroline derivatives: synthesis, crystal structures and extended cytotoxicity study","New Journal of Chemistry","2025","49","22","9465","9474","10.1039/D5NJ00875A","","","0.71073","MoKα","","0.0421","0.033","","","0.0732","0.0773","","","","","","1.04","","","","has coordinates","301029","2025-07-06","17:28:25",""
"7063808","11.0916","0.0013","11.1446","0.0012","11.1875","0.001","113.708","0.003","97.123","0.003","118.018","0.003","1030.7","0.2","301","","301","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Cu2 N20 O2 -","- C36 H40 Cu2 N20 O2 -","- C36 H40 Cu2 N20 O2 -","1","0.5","","Golubeva, Yu. A.; Smirnova, K. S.; Klyushova, L. S.; Berezin, A. S.; Lider, E. V.","Copper(ii) complexes based on 5-methyl-1H-tetrazole and 2,2′-bipyridine, 1,10-phenathroline derivatives: synthesis, crystal structures and extended cytotoxicity study","New Journal of Chemistry","2025","49","22","9465","9474","10.1039/D5NJ00875A","","","0.71073","MoKα","","0.0897","0.0601","","","0.1499","0.1639","","","","","","1.03","","","","has coordinates","301029","2025-07-06","17:28:25",""
"7063809","11.224","0.002","14.614","0.003","14.652","0.003","105.79","0.03","101.79","0.03","112.04","0.03","2013.2","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H76 Cu4 N40 O2 -","- C72 H76 Cu4 N40 O2 -","- C72 H76 Cu4 N40 O2 -","1","0.5","","Golubeva, Yu. A.; Smirnova, K. S.; Klyushova, L. S.; Berezin, A. S.; Lider, E. V.","Copper(ii) complexes based on 5-methyl-1H-tetrazole and 2,2′-bipyridine, 1,10-phenathroline derivatives: synthesis, crystal structures and extended cytotoxicity study","New Journal of Chemistry","2025","49","22","9465","9474","10.1039/D5NJ00875A","","","0.71073","MoKα","","0.1375","0.0791","","","0.2001","0.2443","","","","","","1.025","","","","has coordinates","301029","2025-07-06","17:28:25",""
"7063810","8.6567","0.0007","9.9109","0.0008","10.7222","0.0008","109.317","0.003","110.058","0.003","96.05","0.003","790.23","0.11","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 Cu N10 -","- C14 H14 Cu N10 -","- C28 H28 Cu2 N20 -","2","1","","Golubeva, Yu. A.; Smirnova, K. S.; Klyushova, L. S.; Berezin, A. S.; Lider, E. V.","Copper(ii) complexes based on 5-methyl-1H-tetrazole and 2,2′-bipyridine, 1,10-phenathroline derivatives: synthesis, crystal structures and extended cytotoxicity study","New Journal of Chemistry","2025","49","22","9465","9474","10.1039/D5NJ00875A","","","0.71073","MoKα","","0.072","0.0425","","","0.0782","0.0887","","","","","","1.026","","","","has coordinates","301029","2025-07-06","17:28:25",""
"7063811","10.987","0.003","11.354","0.003","11.406","0.003","100.136","0.007","109.237","0.006","118.587","0.006","1079.9","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Cu N10 O -","- C20 H24 Cu N10 O -","- C40 H48 Cu2 N20 O2 -","2","1","","Golubeva, Yu. A.; Smirnova, K. S.; Klyushova, L. S.; Berezin, A. S.; Lider, E. V.","Copper(ii) complexes based on 5-methyl-1H-tetrazole and 2,2′-bipyridine, 1,10-phenathroline derivatives: synthesis, crystal structures and extended cytotoxicity study","New Journal of Chemistry","2025","49","22","9465","9474","10.1039/D5NJ00875A","","","0.71073","MoKα","","0.1323","0.0725","","","0.1701","0.1967","","","","","","1.049","","","","has coordinates,has disorder","301029","2025-07-06","17:28:25",""
"7063812","11.379","0.0012","9.6235","0.001","15.5768","0.0016","90","","111.18","0.002","90","","1590.5","0.3","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Cl4 N5 O P3 -","- C9 H6 Cl4 N5 O P3 -","- C36 H24 Cl16 N20 O4 P12 -","4","1","","Mutlu Balcı, Ceylan; Palabıyık, Duygu; Beşli, Serap","Cyclic phosphazene derivatives combined with two different forms of the phenol-pyrazole group: synthesis, spectroscopic and crystallographic characterization and stereochemical properties","New Journal of Chemistry","2025","49","23","9583","9599","10.1039/D5NJ01321F","","","0.71073","MoKα","","0.0501","0.0344","","","0.085","0.0922","","","","","","1.036","","","","has coordinates","301076","2025-07-06","17:40:27",""
"7063813","7.8","0.0005","14.4899","0.0009","19.0386","0.0012","100.877","0.001","95.251","0.001","90.909","0.001","2103","0.2","172.16","","172.16","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cl2 N7 O2 P3 -","- C18 H12 Cl2 N7 O2 P3 -","- C72 H48 Cl8 N28 O8 P12 -","4","2","","Mutlu Balcı, Ceylan; Palabıyık, Duygu; Beşli, Serap","Cyclic phosphazene derivatives combined with two different forms of the phenol-pyrazole group: synthesis, spectroscopic and crystallographic characterization and stereochemical properties","New Journal of Chemistry","2025","49","23","9583","9599","10.1039/D5NJ01321F","","","0.71073","MoKα","","0.0437","0.0342","","","0.0834","0.0889","","","","","","1.022","","","","has coordinates","301076","2025-07-06","17:40:27",""
"7063814","8.8942","0.001","24.158","0.003","12.9982","0.0014","90","","93.967","0.002","90","","2786.2","0.6","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 Cl N9 O3 P3 -","- C27 H19 Cl N9 O3 P3 -","- C108 H76 Cl4 N36 O12 P12 -","4","1","","Mutlu Balcı, Ceylan; Palabıyık, Duygu; Beşli, Serap","Cyclic phosphazene derivatives combined with two different forms of the phenol-pyrazole group: synthesis, spectroscopic and crystallographic characterization and stereochemical properties","New Journal of Chemistry","2025","49","23","9583","9599","10.1039/D5NJ01321F","","","0.71073","MoKα","","0.0689","0.0457","","","0.1035","0.1137","","","","","","1.028","","","","has coordinates","301076","2025-07-06","17:40:27",""
"7063815","12.413","0.0011","14.0903","0.0012","23.476","0.002","97.72","0.002","104.312","0.002","92.798","0.002","3928.1","0.6","173.01","","173.01","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N11 O4 P3 -","- C36 H26 N11 O4 P3 -","- C144 H104 N44 O16 P12 -","4","2","","Mutlu Balcı, Ceylan; Palabıyık, Duygu; Beşli, Serap","Cyclic phosphazene derivatives combined with two different forms of the phenol-pyrazole group: synthesis, spectroscopic and crystallographic characterization and stereochemical properties","New Journal of Chemistry","2025","49","23","9583","9599","10.1039/D5NJ01321F","","","0.71073","MoKα","","0.1178","0.0734","","","0.171","0.1913","","","","","","1.025","","","","has coordinates","301076","2025-07-06","17:40:27",""
"7063816","13.5271","0.0004","14.2651","0.0004","42.842","0.0011","90","","97.0632","0.0006","90","","8204.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H108 Cu11 I3 N6 S13 -","- C54 H108 Cu11 I3 N6 S13 -","- C216 H432 Cu44 I12 N24 S52 -","4","1","","Brocha Silalahi, Rhone P.; Kuo, Yu-Te; Chiu, Tzu-Hao; Pillay, Michael N.; Liu, C. W.","Chalcogenide-centered Cu11 clusters heteroleptically passivated by dichalcogenolates and iodo ligands","New Journal of Chemistry","2025","49","23","9965","9972","10.1039/D5NJ01571E","","","0.71073","MoKα","","0.0582","0.049","","","0.1199","0.1254","","","","","","1.092","","","","has coordinates,has disorder","301075","2025-07-06","17:40:11",""
"7063817","19.4684","0.0011","19.4684","0.0011","42.649","0.003","90","","90","","120","","13999.1","1.5","150","2","150","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C94 H208 Cu11 I3 N6 O10 Se13 -","- C54 H108 Cu11 I3 N6 Se13 -","- C324 H648 Cu66 I18 N36 Se78 -","6","0.333333","","Brocha Silalahi, Rhone P.; Kuo, Yu-Te; Chiu, Tzu-Hao; Pillay, Michael N.; Liu, C. W.","Chalcogenide-centered Cu11 clusters heteroleptically passivated by dichalcogenolates and iodo ligands","New Journal of Chemistry","2025","49","23","9965","9972","10.1039/D5NJ01571E","","","0.71073","MoKα","","0.0554","0.0411","","","0.1021","0.1138","","","","","","1.075","","","","has coordinates","301075","2025-07-06","17:40:11",""
"7063818","13.6427","0.0007","24.2123","0.0012","24.7855","0.0012","100.98","0.0011","102.459","0.0011","91.9866","0.0012","7823.5","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H178 Cu22 I6 N12 O Se26 -","- C88 H178 Cu22 I6 N12 O Se26 -","- C176 H356 Cu44 I12 N24 O2 Se52 -","2","1","","Brocha Silalahi, Rhone P.; Kuo, Yu-Te; Chiu, Tzu-Hao; Pillay, Michael N.; Liu, C. W.","Chalcogenide-centered Cu11 clusters heteroleptically passivated by dichalcogenolates and iodo ligands","New Journal of Chemistry","2025","49","23","9965","9972","10.1039/D5NJ01571E","","","0.71073","MoKα","","0.0777","0.0607","","","0.1558","0.1709","","","","","","1.024","","","","has coordinates,has disorder","301075","2025-07-06","17:40:11",""
"7063819","13.3088","0.0003","14.6201","0.0003","14.6236","0.0003","71.154","0.002","76.115","0.002","64.496","0.002","2413.44","0.1","200","0.1","200","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 Cl4 N10 O9 S2 Zn -","- C42 H30 Cl2 N10 O8 S2 Zn -","- C84 H60 Cl4 N20 O16 S4 Zn2 -","2","1","","Oleksii, Y.; Cheret, Y.; Allain, M.; Brosseau, A.; Haacke, S.; El-Ghayoury, A.","Unraveling AIE in zinc(ii) coordination complexes: role of ligand structure and mechanistic insights","New Journal of Chemistry","2025","49","24","10089","10101","10.1039/D5NJ01420D","","","1.54184","CuKα","","0.0491","0.0466","","","0.1296","0.1325","","","","","","1.038","","","","has coordinates,has disorder","301027","2025-07-06","17:27:00",""
"7063820","18.4902","0.0011","8.0542","0.0003","28.4759","0.0012","90","","90.379","0.005","90","","4240.6","0.3","200","0.1","200","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C40 H34 Cl2 N10 O10 S2 Zn -","- C40 H34 Cl2 N10 O10 S2 Zn -","- C160 H136 Cl8 N40 O40 S8 Zn4 -","4","0.5","","Oleksii, Y.; Cheret, Y.; Allain, M.; Brosseau, A.; Haacke, S.; El-Ghayoury, A.","Unraveling AIE in zinc(ii) coordination complexes: role of ligand structure and mechanistic insights","New Journal of Chemistry","2025","49","24","10089","10101","10.1039/D5NJ01420D","","","1.54184","CuKα","","0.0451","0.0425","","","0.1144","0.1162","","","","","","1.014","","","","has coordinates,has disorder","301027","2025-07-06","17:27:01",""
"7063821","9.434","0.003","10.248","0.003","11.733","0.004","71.1","0.009","76.526","0.008","86.091","0.009","1043.6","0.6","294","2","294","2","","","","","","","","6","P 1","P 1","1","","","","- C39.75 H45.51 Fe N4 Na O11 -","- C39.753 H45.506 Fe N4 Na O11 -","- C39.753 H45.506 Fe N4 Na O11 -","1","1","","Paik, Somnath; Ray, Manabendra","Visual detection of Hg2+ without interference by alkali and alkaline earth metal ions using an iron(iii) complex in a hetero-bimetallic environment","New Journal of Chemistry","2025","49","23","9980","9989","10.1039/D5NJ00233H","","","0.71073","MoKα","","0.0807","0.0544","","","0.0981","0.1116","","","","","","1.084","","","","has coordinates,has disorder","301074","2025-07-06","17:39:55",""
"7063822","13.397","0.003","14.023","0.004","25.188","0.006","90","","100.065","0.007","90","","4659","2","294","2","294","2","","","","","","","Laboratory Synthesized","6","P 1 21 1","P 2yb","4","CalciumComplex","Inorganic Complex","","- C83.5 H89.5 Ca Fe2 N10.5 O22.5 -","- C83.5 H89.5 Ca Fe2 N10.5 O22.5 -","- C167 H179 Ca2 Fe4 N21 O45 -","2","1","","Paik, Somnath; Ray, Manabendra","Visual detection of Hg2+ without interference by alkali and alkaline earth metal ions using an iron(iii) complex in a hetero-bimetallic environment","New Journal of Chemistry","2025","49","23","9980","9989","10.1039/D5NJ00233H","","","0.71073","MoKα","","0.0794","0.0569","","","0.1434","0.1668","","","","","","1.32","","","","has coordinates","301074","2025-07-06","17:39:55",""
"7063823","9.383","0.002","10.395","0.003","39.792","0.009","90","","90","","90","","3881.2","1.6","294","2","294","2","","","","","","","Synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 Fe K N4 O9 -","- C38 H36 Fe K N4 O9 -","- C152 H144 Fe4 K4 N16 O36 -","4","1","","Paik, Somnath; Ray, Manabendra","Visual detection of Hg2+ without interference by alkali and alkaline earth metal ions using an iron(iii) complex in a hetero-bimetallic environment","New Journal of Chemistry","2025","49","23","9980","9989","10.1039/D5NJ00233H","","","0.71073","MoKα","","0.0803","0.0498","","","0.0922","0.1034","","","","","","1.084","","","","has coordinates,has disorder","301074","2025-07-06","17:39:55",""
"7063824","16.36","0.005","16.523","0.005","30.908","0.011","90","","90","","90","","8355","5","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C82 H85 Ba Fe2 N9 O21 -","- C82 H85 Ba Fe2 N9 O21 -","- C328 H340 Ba4 Fe8 N36 O84 -","4","1","","Paik, Somnath; Ray, Manabendra","Visual detection of Hg2+ without interference by alkali and alkaline earth metal ions using an iron(iii) complex in a hetero-bimetallic environment","New Journal of Chemistry","2025","49","23","9980","9989","10.1039/D5NJ00233H","","","0.71073","MoKα","","0.1061","0.0683","","","0.1218","0.1355","","","","","","1.12","","","","has coordinates","301074","2025-07-06","17:39:55",""
"7063825","14.2827","0.0006","8.1384","0.0003","60.234","0.002","90","","95.955","0.001","90","","6963.7","0.5","302","2","302","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H51 O13.5 Sm2 -","- C30 H51 O13.5 Sm2 -","- C240 H408 O108 Sm16 -","8","1","","Jia, Ying-Hao; Liu, Xing; Zhou, Jian; Qin, Qi-Pin; Du, Jia-Yin","Two structural types of lanthanide MOFs based on long-chain flexible sebacic acid: synthesis, luminescence, sensing, and magnetic properties","New Journal of Chemistry","2025","49","26","11227","11240","10.1039/D5NJ02067K","","","0.71073","MoKα","","0.0543","0.0526","","","0.2047","0.2069","","","","","","1.068","","","","has coordinates,has disorder","301037","2025-07-06","17:30:19",""
"7063826","14.248","0.002","8.1274","0.0012","60.072","0.009","90","","96.073","0.004","90","","6917.2","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H51 Eu2 O13.5 -","- C30 H51 Eu2 O13.5 -","- C240 H408 Eu16 O108 -","8","1","","Jia, Ying-Hao; Liu, Xing; Zhou, Jian; Qin, Qi-Pin; Du, Jia-Yin","Two structural types of lanthanide MOFs based on long-chain flexible sebacic acid: synthesis, luminescence, sensing, and magnetic properties","New Journal of Chemistry","2025","49","26","11227","11240","10.1039/D5NJ02067K","","","0.71073","MoKα","","0.0666","0.065","","","0.2288","0.2303","","","","","","1.175","","","","has coordinates,has disorder","301037","2025-07-06","17:30:20",""
"7063827","14.211","0.0011","8.1027","0.0006","60.154","0.005","90","","96.168","0.002","90","","6886.5","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H51 Gd2 O13.5 -","- C30 H51 Gd2 O13.5 -","- C240 H408 Gd16 O108 -","8","1","","Jia, Ying-Hao; Liu, Xing; Zhou, Jian; Qin, Qi-Pin; Du, Jia-Yin","Two structural types of lanthanide MOFs based on long-chain flexible sebacic acid: synthesis, luminescence, sensing, and magnetic properties","New Journal of Chemistry","2025","49","26","11227","11240","10.1039/D5NJ02067K","","","0.71073","MoKα","","0.0355","0.0351","","","0.0798","0.0802","","","","","","1.039","","","","has coordinates,has disorder","301037","2025-07-06","17:30:20",""
"7063828","16.2582","0.0008","13.8015","0.0007","8.9584","0.0004","90","","105.057","0.0018","90","","1941.14","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 Dy O8 -","- C15 H28 Dy O8 -","- C60 H112 Dy4 O32 -","4","1","","Jia, Ying-Hao; Liu, Xing; Zhou, Jian; Qin, Qi-Pin; Du, Jia-Yin","Two structural types of lanthanide MOFs based on long-chain flexible sebacic acid: synthesis, luminescence, sensing, and magnetic properties","New Journal of Chemistry","2025","49","26","11227","11240","10.1039/D5NJ02067K","","","0.71073","MoKα","","0.0463","0.03","","","0.0666","0.0741","","","","","","1.051","","","","has coordinates,has disorder","301037","2025-07-06","17:30:20",""
"7063829","14.1736","0.0007","8.0917","0.0004","60.102","0.003","90","","96.308","0.001","90","","6851.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H51 O13.5 Tb2 -","- C30 H51 O13.5 Tb2 -","- C240 H408 O108 Tb16 -","8","1","","Jia, Ying-Hao; Liu, Xing; Zhou, Jian; Qin, Qi-Pin; Du, Jia-Yin","Two structural types of lanthanide MOFs based on long-chain flexible sebacic acid: synthesis, luminescence, sensing, and magnetic properties","New Journal of Chemistry","2025","49","26","11227","11240","10.1039/D5NJ02067K","","","0.71073","MoKα","","0.0375","0.0362","","","0.137","0.1383","","","","","","1.106","","","","has coordinates,has disorder","301037","2025-07-06","17:30:20",""
"7063830","8.661","0.0004","12.4336","0.0005","16.031","0.0007","103.57","0.002","90.7","0.002","100.42","0.002","1647.77","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H34 B N3 O4 -","- C41 H34 B N3 O4.001 -","- C82 H68 B2 N6 O8.002 -","2","1","","Ordaz-Romero, Enrique; Díaz-Flores, Angela Y.; Rojas-Montoya, Sandra M.; Blancarte-Carrazco, Luis; Romero-Ávila, Margarita; Labra-Vázquez, Pablo; Santillan, Rosa; Farfán, Norberto","Tuning the electronic structure of BODIPY-coumarin ratiometric fluorescent sensors for accurate microviscosity monitoring applications","New Journal of Chemistry","2025","49","25","10538","10550","10.1039/D5NJ00899A","","","0.71073","MoKα","","0.0625","0.0417","","","0.0967","0.1077","","","","","","1.059","","","","has coordinates,has disorder","301058","2025-07-06","17:34:32",""
"7063831","7.2465","0.0001","20.7755","0.0004","16.9252","0.0003","90","","90.162","0.001","90","","2548.07","0.08","198","","198","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 B F2 N2 S -","- C15 H9 B F2 N2 S -","- C120 H72 B8 F16 N16 S8 -","8","2","","Zhang, Yongli; Fu, Xiong; Li, Jie; Guo, Kaiwen; Wen, Hanyu; Guo, Tingting; Li, Xiangguang; Yang, Yanhua; Gao, Shulin","Sulfur-bridged annulated BODIPYs: synthesis, structure and photophysical properties","New Journal of Chemistry","2025","49","26","11326","11333","10.1039/D5NJ01481F","","","1.54178","CuKα","","0.0797","0.0653","","","0.1754","0.189","","","","","","1.052","","","","has coordinates","301041","2025-07-06","17:30:49",""
"7063832","7.1383","0.0002","11.5671","0.0003","19.5512","0.0005","90","","96.209","0.002","90","","1604.86","0.07","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 B F2 N2 S -","- C19 H17 B F2 N2 S -","- C76 H68 B4 F8 N8 S4 -","4","1","","Zhang, Yongli; Fu, Xiong; Li, Jie; Guo, Kaiwen; Wen, Hanyu; Guo, Tingting; Li, Xiangguang; Yang, Yanhua; Gao, Shulin","Sulfur-bridged annulated BODIPYs: synthesis, structure and photophysical properties","New Journal of Chemistry","2025","49","26","11326","11333","10.1039/D5NJ01481F","","","1.54178","CuKα","","0.0449","0.0367","","","0.0981","0.1034","","","","","","1.071","","","","has coordinates,has disorder","301041","2025-07-06","17:30:50",""
"7063833","12.354","0.0004","14.1562","0.0005","20.9902","0.0007","90","","99.67","0.001","90","","3618.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 Cu6 N4 O26 Si10 -","- C48 H72 Cu6 N4 O26 Si10 -","- C96 H144 Cu12 N8 O52 Si20 -","2","0.5","","Frank, Inga V.; Shakirova, Albina R.; Peregudov, Alexander S.; Dolgushin, Fedor M.; Shchegolikhina, Olga I.; Anisimov, Anton A.","Synthesis and structure of new vinylcoppersiloxanes and stereoregular organocyclosilsesquioxanes based on them","New Journal of Chemistry","2025","49","26","11273","11284","10.1039/D5NJ01899D","","","0.71073","MoKα","","0.0682","0.0521","","","0.1372","0.1483","","","","","","1.064","","","","has coordinates,has disorder","301043","2025-07-06","17:31:09",""
"7063834","10.694","0.0008","15.0909","0.0014","20.5432","0.0016","94.676","0.003","102.91","0.0018","108.385","0.0017","3024.9","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H61 Cu3 N7 O18 Si8 -","- C42 H54 Cu3 N6 O17 Si8 -","- C84 H108 Cu6 N12 O34 Si16 -","2","1","","Frank, Inga V.; Shakirova, Albina R.; Peregudov, Alexander S.; Dolgushin, Fedor M.; Shchegolikhina, Olga I.; Anisimov, Anton A.","Synthesis and structure of new vinylcoppersiloxanes and stereoregular organocyclosilsesquioxanes based on them","New Journal of Chemistry","2025","49","26","11273","11284","10.1039/D5NJ01899D","","","0.71073","MoKα","","0.1439","0.0608","","","0.1305","0.1698","","","","","","0.984","","","","has coordinates,has disorder","301043","2025-07-06","17:31:09",""
"7063835","10.868","0.0017","10.8763","0.0017","25.978","0.004","92.798","0.002","92.478","0.002","106.886","0.002","2929.5","0.8","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H64 Cu3 N4 O19 Si8 -","- C44 H64 Cu3 N4 O19 Si8 -","- C88 H128 Cu6 N8 O38 Si16 -","2","1","","Frank, Inga V.; Shakirova, Albina R.; Peregudov, Alexander S.; Dolgushin, Fedor M.; Shchegolikhina, Olga I.; Anisimov, Anton A.","Synthesis and structure of new vinylcoppersiloxanes and stereoregular organocyclosilsesquioxanes based on them","New Journal of Chemistry","2025","49","26","11273","11284","10.1039/D5NJ01899D","","","0.71073","MoKα","","0.0668","0.0489","","","0.1024","0.11","","","","","","1.037","","","","has coordinates,has disorder","301043","2025-07-06","17:31:09",""
"7063836","13.8005","0.0006","18.3441","0.0009","13.9302","0.0007","90","","102.94","0.0009","90","","3437","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 Cu6 N6 O24 Si10 -","- C46 H62 Cu6 N6 O24 Si10 -","- C92 H124 Cu12 N12 O48 Si20 -","2","0.5","","Frank, Inga V.; Shakirova, Albina R.; Peregudov, Alexander S.; Dolgushin, Fedor M.; Shchegolikhina, Olga I.; Anisimov, Anton A.","Synthesis and structure of new vinylcoppersiloxanes and stereoregular organocyclosilsesquioxanes based on them","New Journal of Chemistry","2025","49","26","11273","11284","10.1039/D5NJ01899D","","","0.71073","MoKα","","0.0315","0.0277","","","0.0745","0.0769","","","","","","1.053","","","","has coordinates,has disorder","301043","2025-07-06","17:31:09",""
"7063837","9.0752","0.0005","19.2241","0.0011","12.5601","0.0007","90","","106.66","0.002","90","","2099.3","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Br Cl N2 O -","- C26 H18 Br Cl N2 O -","- C104 H72 Br4 Cl4 N8 O4 -","4","1","","Liang, Demin; Wu, Da; Shen, Jie; Lu, Shanya; Wang, Jiale; Yan, Xiaodong; Li, Jian","Diastereoselective reaction to construct polycyclic spiroindolines from 3-(2-isocyanoethyl)indoles and ynones","New Journal of Chemistry","2025","49","26","11371","11375","10.1039/D5NJ01268F","","","1.54178","CuKα","","0.0358","0.0352","","","0.0917","0.0921","","","","","","1.066","","","","has coordinates","301039","2025-07-06","17:30:32",""
"7063838","7.9044","0.0005","6.516","0.0003","9.6279","0.0005","90","","93.693","0.005","90","","494.86","0.05","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","Gadolinium(III) Chloride Hexahydrate","","- Cl3 Gd H12 O6 -","- Cl3 Gd H12 O6 -","- Cl6 Gd2 H24 O12 -","2","0.5","","Krešáková, Lenka; Tarasenko, Róbert; Orendáč, Martin; Titikov, Hryhorii; Čižmár, Erik; Kuchár, Juraj; Černák, Juraj; Jankovič, Ľuboš; Madejová, Jana","Gadolinium chloride hexahydrate and its intercalation into synthetic saponite: structure, characterization and slow magnetic relaxation of the intercalated sample","New Journal of Chemistry","2025","49","26","11520","11530","10.1039/D5NJ01537E","","","0.71073","MoKα","","0.0169","0.0165","","","0.0404","0.0405","","","","","","1.172","","","","has coordinates","301042","2025-07-06","17:30:57",""
"7063839","7.9198","0.0003","6.52","0.0003","9.6421","0.0005","90","","93.65","0.004","90","","496.88","0.04","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","Gadolinium(III) Chloride Hexahydrate","","- Cl3 Gd H12 O6 -","- Cl3 Gd H12 O6 -","- Cl6 Gd2 H24 O12 -","2","0.5","","Krešáková, Lenka; Tarasenko, Róbert; Orendáč, Martin; Titikov, Hryhorii; Čižmár, Erik; Kuchár, Juraj; Černák, Juraj; Jankovič, Ľuboš; Madejová, Jana","Gadolinium chloride hexahydrate and its intercalation into synthetic saponite: structure, characterization and slow magnetic relaxation of the intercalated sample","New Journal of Chemistry","2025","49","26","11520","11530","10.1039/D5NJ01537E","","","0.71073","MoKα","","0.0182","0.018","","","0.0441","0.0442","","","","","","1.215","","","","has coordinates","301042","2025-07-06","17:30:57",""
"7063840","5.2291","0.0006","20.848","0.003","7.6487","0.001","90","","90.668","0.004","90","","833.78","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(MeSe)2(MeS)2TTF","4,5-bis(methylseleno)-4',5'-bis(methylthio)-tetrathiafulvalene","","- C5 H6 S3 Se -","- C5 H6 S3 Se -","- C20 H24 S12 Se4 -","4","1","","Beau, Maxime; Jeon, Ie-Rang; Jeannin, Olivier; Guizouarn, Thierry; Fourmigué, Marc","Activation of chalcogen bonding in tetrathiafulvalene derivatives with Se/S differentiation","New Journal of Chemistry","2025","49","26","11501","11508","10.1039/D5NJ01745A","","x-ray","0.71073","MoKα","","0.0781","0.0464","","","0.0897","0.0974","","","","","","1.139","","","","has coordinates,has disorder","301040","2025-07-06","17:30:42",""
"7063841","8.3729","0.0006","11.2809","0.0008","14.735","0.0011","80.6","0.002","84.314","0.003","83.533","0.002","1359.72","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","[(MeSe)2(MeS)2TTF][TCNQF","","","- C22 H15 F N4 S6 Se2 -","- C22 H14.999 F1.004 N4 S6 Se2 -","- C44 H29.998 F2.008 N8 S12 Se4 -","2","1","","Beau, Maxime; Jeon, Ie-Rang; Jeannin, Olivier; Guizouarn, Thierry; Fourmigué, Marc","Activation of chalcogen bonding in tetrathiafulvalene derivatives with Se/S differentiation","New Journal of Chemistry","2025","49","26","11501","11508","10.1039/D5NJ01745A","","x-ray","0.71073","MoKα","","0.1023","0.0523","","","0.1145","0.1308","","","","","","1.059","","","","has coordinates","301040","2025-07-06","17:30:42",""
"7063842","8.0186","0.0008","9.4175","0.0009","17.3009","0.0016","98.667","0.003","93.154","0.003","91.17","0.004","1289.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","[(MeSe)2(MeS)2TTF][TCNQ]","","","- C22 H16 N4 S6 Se2 -","- C22 H16 N4 S6 Se2 -","- C44 H32 N8 S12 Se4 -","2","1","","Beau, Maxime; Jeon, Ie-Rang; Jeannin, Olivier; Guizouarn, Thierry; Fourmigué, Marc","Activation of chalcogen bonding in tetrathiafulvalene derivatives with Se/S differentiation","New Journal of Chemistry","2025","49","26","11501","11508","10.1039/D5NJ01745A","","x-ray","0.71073","MoKα","","0.063","0.0397","","","0.0834","0.0908","","","","","","1.055","","","","has coordinates,has disorder","301040","2025-07-06","17:30:42",""
"7063843","7.617","0.0008","10.9542","0.0012","12.889","0.0014","110.984","0.003","97.116","0.004","101.161","0.003","962.96","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","[(MeSe)2(MeS)2TTF][ClO4]","4,5-bis(methylseleno)-4',5'-bis(methylthio)-tetrathiafulvalenium, perchlorate","","- C10 H12 Cl O4 S6 Se2 -","- C10 H12 Cl O4 S6 Se2 -","- C20 H24 Cl2 O8 S12 Se4 -","2","1","","Beau, Maxime; Jeon, Ie-Rang; Jeannin, Olivier; Guizouarn, Thierry; Fourmigué, Marc","Activation of chalcogen bonding in tetrathiafulvalene derivatives with Se/S differentiation","New Journal of Chemistry","2025","49","26","11501","11508","10.1039/D5NJ01745A","","x-ray","0.71073","MoKα","","0.0761","0.0472","","","0.0998","0.1194","","","","","","1.139","","","","has coordinates,has disorder","301040","2025-07-06","17:30:42",""
"7063844","8.3766","0.0007","11.2683","0.0009","14.7324","0.0011","80.619","0.003","84.373","0.003","83.538","0.003","1358.76","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","[(MeSe)2(MeS)2TTF][TCNQF2]","","","- C22 H12 F2 N4 S6 Se2 -","- C22 H12 F2 N4 S6 Se2 -","- C44 H24 F4 N8 S12 Se4 -","2","1","","Beau, Maxime; Jeon, Ie-Rang; Jeannin, Olivier; Guizouarn, Thierry; Fourmigué, Marc","Activation of chalcogen bonding in tetrathiafulvalene derivatives with Se/S differentiation","New Journal of Chemistry","2025","49","26","11501","11508","10.1039/D5NJ01745A","","x-ray","0.71073","MoKα","","0.1236","0.0599","","","0.1388","0.1728","","","","","","1.026","","","","has coordinates,has disorder","301040","2025-07-06","17:30:42",""
"7063845","13.9738","0.0007","7.8363","0.0004","16.0601","0.0008","90","","105.82","0.002","90","","1692.02","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(MeSe)2(MeS)2TTF","4,5-bis(methylseleno)-4',5'-bis(methylthio)-tetrathiafulvalene","","- C10 H12 S6 Se2 -","- C10 H12 S6 Se2 -","- C40 H48 S24 Se8 -","4","1","","Beau, Maxime; Jeon, Ie-Rang; Jeannin, Olivier; Guizouarn, Thierry; Fourmigué, Marc","Activation of chalcogen bonding in tetrathiafulvalene derivatives with Se/S differentiation","New Journal of Chemistry","2025","49","26","11501","11508","10.1039/D5NJ01745A","","x-ray","0.71073","MoKα","","0.0986","0.0603","","","0.1169","0.1292","","","","","","1.158","","","","has coordinates,has disorder","301040","2025-07-06","17:30:42",""
"7063846","12.043","0.002","16.059","0.003","16.711","0.003","90","","106.88","0.03","90","","3092.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Cu4 N4 P4 S4 -","- C52 H88 Cu4 N4 P4 S4 -","- C104 H176 Cu8 N8 P8 S8 -","2","0.5","","Trivedi, Manoj; Sharma, Sahil; Sharma, Raj Kishore; Kumar, Girijesh; Rath, Nigam","Tetranuclear thiocyanato-bridged copper(I) catalyst for the hydrogenation of Carbon Dioxide to formate under mild conditions","New Journal of Chemistry","2025","49","27","11607","11613","10.1039/D5NJ01727K","","","0.71073","MoKα","","0.2113","0.0782","","","0.1705","0.2299","","","","","","0.972","","","","has coordinates","301442","2025-08-04","07:36:24",""
"7063847","6.27","0.0004","16.0102","0.0011","14.1883","0.0009","90","","92.133","0.003","90","","1423.29","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N4 O4 S -","- C13 H12 N4 O4 S -","- C52 H48 N16 O16 S4 -","4","1","","Vadakkedathu Palakkeezhillam, Vishnunarayanan Namboothiri; Haribabu, Jebiti; Karthik, K. S.; Suresh Kumar, Vaishnu; Manakkadan, Vipin; Rasin, Puthiyavalappil; Garg, Mohith; Arulraj, Arunachalam; Moraga, Daniel; Sreekanth, Anandaram","Functionalized nitro-piperonal thiosemicarbazone based ruthenium(ii)–arene complexes for DNA interaction, anticancer and flow cytometry studies","New Journal of Chemistry","2025","49","26","11531","11547","10.1039/D5NJ00749F","","","0.71073","MoKα","","0.099","0.0738","","","0.221","0.2577","","","","","","0.908","","","","has coordinates","301036","2025-07-06","17:30:01",""
"7063848","13.8239","0.0008","14.3869","0.0008","14.0803","0.0007","90","","117.586","0.002","90","","2482","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl N4 O5 Ru S -","- C23 H27 Cl N4 O5 Ru S -","- C92 H108 Cl4 N16 O20 Ru4 S4 -","4","1","","Vadakkedathu Palakkeezhillam, Vishnunarayanan Namboothiri; Haribabu, Jebiti; Karthik, K. S.; Suresh Kumar, Vaishnu; Manakkadan, Vipin; Rasin, Puthiyavalappil; Garg, Mohith; Arulraj, Arunachalam; Moraga, Daniel; Sreekanth, Anandaram","Functionalized nitro-piperonal thiosemicarbazone based ruthenium(ii)–arene complexes for DNA interaction, anticancer and flow cytometry studies","New Journal of Chemistry","2025","49","26","11531","11547","10.1039/D5NJ00749F","","","0.71073","MoKα","","0.0441","0.0334","","","0.0777","0.0856","","","","","","1.007","","","","has coordinates","301036","2025-07-06","17:30:01",""
"7063849","20.9609","0.0009","20.9609","0.0009","17.7989","0.0007","90","","90","","90","","7820.1","0.6","150.15","","150.15","","","","","","","","","7","I 4/m","-I 4","87","","","","- C41 H43 Cl Co N2 P3 Si -","- C41 H43 Cl Co N2 P3 Si -","- C328 H344 Cl8 Co8 N16 P24 Si8 -","8","0.5","","Li, Qingshuang; Wei, Lanfeng; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter; Hinz, Alexander; Li, Xiaoyan","Improvement of Regioselectivity of Alkene Hydrosilylation Catalyzed by [PNSiNP] Pincer Cobalt(III) Hydrides Using Sodium Methoxide as an Additive","New Journal of Chemistry","2025","49","27","11646","11653","10.1039/D5NJ01460C","","","0.71073","MoKα","","0.0628","0.0391","","","0.0949","0.1027","","","","","","1.047","","","","has coordinates,has disorder","301442","2025-08-04","07:36:25",""
"7063850","15.4377","0.0003","10.88817","0.00018","18.203","0.0003","90","","107.275","0.0018","90","","2921.69","0.09","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H49 Cl Co N2 P3 Si -","- C24 H49 Cl Co N2 P3 Si -","- C96 H196 Cl4 Co4 N8 P12 Si4 -","4","1","","Li, Qingshuang; Wei, Lanfeng; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter; Hinz, Alexander; Li, Xiaoyan","Improvement of Regioselectivity of Alkene Hydrosilylation Catalyzed by [PNSiNP] Pincer Cobalt(III) Hydrides Using Sodium Methoxide as an Additive","New Journal of Chemistry","2025","49","27","11646","11653","10.1039/D5NJ01460C","","","1.54184","CuKα","","0.0673","0.0546","","","0.1394","0.1537","","","","","","1.057","","","","has coordinates","301442","2025-08-04","07:36:25",""
"7063851","8.1723","0.0005","13.2099","0.0009","22.6697","0.0015","75.162","0.002","82.507","0.002","79.423","0.002","2316.5","0.3","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 B Cl2 Zr -","- C26 H27 B Cl2 Zr -","- C104 H108 B4 Cl8 Zr4 -","4","2","","Zhang, Hui; Liu, Yu; Liu, Zhengxiong; Wang, Yin; Ren, Wei","DFT analysis and synthesis of anthracene analogues via zirconocene-mediated dimerization of boron-centered precursors","New Journal of Chemistry","2025","49","25","10949","10953","10.1039/D5NJ02125A","","","0.71073","MoKα","","0.0975","0.0524","","","0.1092","0.1272","","","","","","1.018","","","","has coordinates","301059","2025-07-06","17:34:46",""
"7063852","5.9539","0.0003","11.1308","0.0006","11.705","0.0007","78.746","0.002","86.935","0.002","79.975","0.002","749.03","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","ORGANIC","","","- C20 H18 N2 O0 -","- C20 H18 N2 -","- C40 H36 N4 -","2","1","","Patra, Goutam Kumar; Dutta, Srishti; Kumar, Dishen; Pandey, Abhilash; Manna, Sounik; Choudhury, Sujata Maiti; Sahu, Devanand; Sharma, Vanshika; Kumari, Niraj","2,3-diphenyl-5,6,7,8-tetrahydroquinoxaline based potential optical chemosensor for detection of Ni2+ ions: Anticancer activity and biosensor imaging","New Journal of Chemistry","2025","49","27","11906","11919","10.1039/D5NJ01816A","","","0.71073","MoKα","","0.0867","0.0506","","","0.1123","0.136","","","","","","1.03","","","","has coordinates","301442","2025-08-04","07:36:25",""
"7063853","11.917","0.004","16.287","0.006","30.181","0.01","90","","90","","90","","5858","4","273","2","273.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H24 N24 O15 -","- C14 H24 N24 O15 -","- C112 H192 N192 O120 -","8","1","","Zou, Jia; Zhang, Li; Chen, Zhengguo; Li, Haoran; Zhou, Qianzai; Wang, Xinyu; Huang, Ming; Yu, SiJia; Yang, Haijun","A novel pentazolate with a delocalized cation and its cocrystal","New Journal of Chemistry","2025","49","25","10922","10927","10.1039/D5NJ00733J","","","0.71073","MoKα","","0.0722","0.0603","","","0.1592","0.17","","","","","","1.093","","","","has coordinates","301060","2025-07-06","17:35:03",""
"7063854","13.0759","0.0009","8.8455","0.0006","13.5603","0.0009","90","","107.872","0.003","90","","1492.74","0.18","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 N10 O9 -","- C7 H12 N10 O9 -","- C28 H48 N40 O36 -","4","1","","Zou, Jia; Zhang, Li; Chen, Zhengguo; Li, Haoran; Zhou, Qianzai; Wang, Xinyu; Huang, Ming; Yu, SiJia; Yang, Haijun","A novel pentazolate with a delocalized cation and its cocrystal","New Journal of Chemistry","2025","49","25","10922","10927","10.1039/D5NJ00733J","","","0.71073","MoKα","","0.0528","0.0459","","","0.1284","0.136","","","","","","1.029","","","","has coordinates","301060","2025-07-06","17:35:03",""
"7063855","12.2247","0.0002","9.2088","0.0001","14.6416","0.0002","90","","98.134","0.002","90","","1631.69","0.04","160","0.1","160","0.1","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C18 H16 N2 O6 -","- C18 H16 N2 O6 -","- C72 H64 N8 O24 -","4","1","","Sneka, Chinnaiyah; Manikandan, Balasubramaniyam; Thamotharan, Subbiah; Blacque, Olivier; Selva Ganesan, Subramaniapillai","A concise and highly diastereoselective one-pot synthesis of vicinal tetrasubstituted furofuran analogues","New Journal of Chemistry","2025","49","26","11297","11303","10.1039/D5NJ01435B","","x-ray","1.54184","CuKα","","0.0272","0.0258","","","0.0671","0.0684","","","","","","1.057","","","","has coordinates","301035","2025-07-06","17:29:53",""
"7063856","10.7014","0.0006","13.0096","0.0006","13.6186","0.0007","90.271","0.004","111.301","0.005","98.392","0.004","1744.12","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C2.42 H2.12 N0.3 O0.12 -","- C2.42424 H2.12121 N0.30303 O0.121212 -","- C80 H70 N10 O4 -","33","16.5","","Kumar, Ram; Singh, Bholey; Kakkar, Rita; Pani, Balaram","Multifunctional rhodamine Schiff base sensor for Pb2+: fluorogenic switching, reusability, and structural elucidation through spectroscopic and molecular simulation","New Journal of Chemistry","2025","49","26","11475","11492","10.1039/D5NJ01755F","","","0.71073","MoKα","","0.0987","0.0718","","","0.2092","0.2292","","","","","","1.093","","","","has coordinates","301038","2025-07-06","17:30:26",""
"7063857","8.3914","0.0007","11.9823","0.0009","13.805","0.0012","86.538","0.003","86.395","0.003","72.921","0.003","1322.95","0.19","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 Mn N5 O5 -","- C29 H28 Mn N5 O5 -","- C58 H56 Mn2 N10 O10 -","2","1","","Ahmad, Reyaz; Choudhary, Mukesh","Synthesis and design of manganese and nickel complexes with potential anticancer and antibacterial activities, and antiviral properties for therapeutic applications","New Journal of Chemistry","2025","49","28","12401","12422","10.1039/D5NJ00268K","","","0.71073","MoKα","","0.0663","0.0571","","","0.1426","0.1478","","","","","","1.169","","","","has coordinates","301442","2025-08-04","07:36:27",""
"7063858","10.6283","0.0007","10.9606","0.0007","12.4775","0.0008","86.96","0.002","87.375","0.003","64.662","0.002","1311.43","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 N4 Ni O5 S -","- C28 H28 N4 Ni O5 S -","- C56 H56 N8 Ni2 O10 S2 -","2","1","","Ahmad, Reyaz; Choudhary, Mukesh","Synthesis and design of manganese and nickel complexes with potential anticancer and antibacterial activities, and antiviral properties for therapeutic applications","New Journal of Chemistry","2025","49","28","12401","12422","10.1039/D5NJ00268K","","","0.71073","MoKα","","0.0402","0.0364","","","0.0898","0.0921","","","","","","1.033","","","","has coordinates","301442","2025-08-04","07:36:36",""
"7063859","5.2219","0.0004","15.7746","0.0013","15.8751","0.0013","118.016","0.002","95.149","0.003","90.249","0.003","1148.18","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H56 Cu N8 O13 -","- C50 H56 Cu N8 O13 -","- C50 H56 Cu N8 O13 -","1","0.5","","Xue, Lujiadai; Gao, Guie; Deng, Yajuan; Zhou, Shimin; Luan, Jian; Zheng, Shaolie; Wang, Xiaoyu","Anti-cancer potential of a new bioactive copper-based coordination polymer against cervical cancer","New Journal of Chemistry","2025","49","29","12561","12567","10.1039/D5NJ01294E","","","0.71073","MoKα","","0.1482","0.1351","","","0.3754","0.3837","","","","","","1.047","","","","has coordinates,has disorder","301615","2025-08-05","22:20:24",""
"7063860","7.7077","0.0001","10.5183","0.0001","12.6883","0.0001","97.407","0.001","91.858","0.001","93.375","0.001","1017.48","0.018","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 I N O3 S -","- C20 H22 I N O3 S -","- C40 H44 I2 N2 O6 S2 -","2","1","","Uota, Sisay; Gross, Daniella; Hwang, Bor-Jang; Butcher, Raymond; Hijji, Yousef; Wachira, James; Tadesse, Solomon; Edwards, Jesse; Edwards, Kyle; Abebe, Fasil","A “turn-off” ICT-based optical probe for the selective detection of cyanide ions in real samples","New Journal of Chemistry","2025","49","28","12218","12230","10.1039/D5NJ01489A","","","1.54184","CuKα","","0.0256","0.0249","","","0.0685","0.069","","","","","","1.054","","","","has coordinates","301442","2025-08-04","07:36:38",""
"7063861","14.5049","0.0007","14.5049","0.0007","8.4681","0.0004","90","","90","","120","","1542.93","0.13","298","2","298","2","","","","","","","","4","P 31","P 31","144","","","","- C26 H17 N O3 -","- C26 H17 N O3 -","- C78 H51 N3 O9 -","3","1","","Rodríguez, Humberto A.; Cruz, Daniel A.; Padrón, Juan I.; Lorenzo-Luis, Pablo","(S)-BINOL-derived chiral picolinate ligand as a platform for new polymer frameworks: a pilot study on the effect of the binaphthyl scaffold vs. picolinate","New Journal of Chemistry","2025","49","30","12940","12947","10.1039/D5NJ01654A","","x-ray","0.71073","MoKα","","0.0627","0.0473","","","0.0879","0.0951","","","","","","1.079","","","","has coordinates","301620","2025-08-05","22:22:07",""
"7063862","13.5985","0.0003","13.5985","0.0003","6.0863","0.0001","90","","90","","120","","974.69","0.03","298","2","298","2","","","","","","","","7","P -3","-P 3","147","","","","- C37 H27 F3 N6 O15 S Zn2 -","- C37 H27 F3 N6 O15 S Zn2 -","- C37 H27 F3 N6 O15 S Zn2 -","1","0.166667","","Rodríguez, Humberto A.; Cruz, Daniel A.; Padrón, Juan I.; Lorenzo-Luis, Pablo","(S)-BINOL-derived chiral picolinate ligand as a platform for new polymer frameworks: a pilot study on the effect of the binaphthyl scaffold vs. picolinate","New Journal of Chemistry","2025","49","30","12940","12947","10.1039/D5NJ01654A","","x-ray","0.71073","MoKα","","0.0332","0.0297","","","0.0693","0.071","","","","","","1.098","","","","has coordinates","301620","2025-08-05","22:22:07",""
"7063863","14.5386","0.0004","14.5386","0.0004","38.0549","0.0009","90","","90","","90","","8043.7","0.4","298","2","298","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C29 H27 Cu2 F6 N5 O12 S2 -","- C29 H27 Cu2 F6 N4.5 O12 S2 -","- C232 H216 Cu16 F48 N36 O96 S16 -","8","0.5","","Rodríguez, Humberto A.; Cruz, Daniel A.; Padrón, Juan I.; Lorenzo-Luis, Pablo","(S)-BINOL-derived chiral picolinate ligand as a platform for new polymer frameworks: a pilot study on the effect of the binaphthyl scaffold vs. picolinate","New Journal of Chemistry","2025","49","30","12940","12947","10.1039/D5NJ01654A","","","0.71073","MoKα","","0.1061","0.0887","","","0.2628","0.28","","","","","","1.0827","","","","has coordinates,has disorder","301620","2025-08-05","22:22:07",""
"7063864","10.425","0.0017","8.2092","0.0012","35.697","0.006","90","","90","","90","","3055","0.8","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C136 H152 N24 O24 -","8","1","","Potla, Krishna Murthy; Vankayalapati , Suneetha; Osório, Francisco A. P.; Valverde, Clodoaldo; Raja, M.; Almarhoon, Zainab M.; Alam, Mahboob; Islam, Mohammad Shahidul","Mechanoluminescence and Nonlinear Optical Properties of a Self-Assembled Piperazine-Based Supramolecular System: Structural Insights and Computational Analysis","New Journal of Chemistry","2025","49","28","12439","12452","10.1039/D5NJ00633C","","","0.71073","MoKα","","0.1164","0.0758","","","0.1672","0.1862","","","","","","1.081","","","","has coordinates","301442","2025-08-04","07:36:49",""
"7063865","8.7719","0.0014","11.2287","0.0018","15.981","0.003","70.082","0.003","89.231","0.003","72.118","0.003","1401.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 F12 N8 Zn -","- C20 H18 F12 N8 Zn -","- C40 H36 F24 N16 Zn2 -","2","1","","Uvarova, Marina A.; Dolgushin, Fedor M.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Pettinari, Claudio; Eremenko, Igor L.; Nefedov, Sergey E.","Uncommon mononuclear pyrazole–pyrazolate complexes of CoII, CuII and Zn","New Journal of Chemistry","2025","49","30","13007","13014","10.1039/D5NJ02001H","","","0.71073","MoKα","","0.0803","0.054","","","0.1507","0.1727","","","","","","1.033","","","","has coordinates,has disorder","301618","2025-08-05","22:21:24",""
"7063866","17.982","0.003","17.969","0.003","15.915","0.003","90","","90","","90","","5142.4","1.6","120","2","120","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C20 H18 Cu F12 N8 -","- C20 H18 Cu F12 N8 -","- C160 H144 Cu8 F96 N64 -","8","1","","Uvarova, Marina A.; Dolgushin, Fedor M.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Pettinari, Claudio; Eremenko, Igor L.; Nefedov, Sergey E.","Uncommon mononuclear pyrazole–pyrazolate complexes of CoII, CuII and Zn","New Journal of Chemistry","2025","49","30","13007","13014","10.1039/D5NJ02001H","","","0.71073","MoKα","","0.044","0.0376","","","0.0925","0.0966","","","","","","1.032","","","","has coordinates","301618","2025-08-05","22:21:25",""
"7063867","9.466","0.014","11.005","0.016","14.72","0.02","109.39","0.02","101.21","0.02","91.6","0.02","1412","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Co F12 N8 -","- C20 H18 Co F12 N8 -","- C40 H36 Co2 F24 N16 -","2","1","","Uvarova, Marina A.; Dolgushin, Fedor M.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Pettinari, Claudio; Eremenko, Igor L.; Nefedov, Sergey E.","Uncommon mononuclear pyrazole–pyrazolate complexes of CoII, CuII and Zn","New Journal of Chemistry","2025","49","30","13007","13014","10.1039/D5NJ02001H","","","0.71073","MoKα","","0.0885","0.0524","","","0.1314","0.1517","","","","","","1.016","","","","has coordinates,has disorder","301618","2025-08-05","22:21:25",""
"7063868","20.9937","0.0013","10.3294","0.0006","20.7409","0.0013","90","","107.436","0.001","90","","4291.1","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H38 Cl2 Cu2 F12 N8 O4 -","- C31 H38 Cl2 Cu2 F12 N8 O4 -","- C124 H152 Cl8 Cu8 F48 N32 O16 -","4","0.5","","Uvarova, Marina A.; Dolgushin, Fedor M.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Pettinari, Claudio; Eremenko, Igor L.; Nefedov, Sergey E.","Uncommon mononuclear pyrazole–pyrazolate complexes of CoII, CuII and Zn","New Journal of Chemistry","2025","49","30","13007","13014","10.1039/D5NJ02001H","","","0.71073","MoKα","","0.049","0.0417","","","0.1097","0.1146","","","","","","1.025","","","","has coordinates,has disorder","301618","2025-08-05","22:21:25",""
"7063869","15.4218","0.0002","37.1781","0.0005","46.2728","0.0007","90","","90","","90","","26530.7","0.6","150","2","150","0.2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H44 Co N5 P2 S4 -","- C42 H44 Co N5 P2 S4 -","- C1008 H1056 Co24 N120 P48 S96 -","24","6","","Srivastava, Shreya; Srivastava, Devyani; Kushwaha, Aparna; Omoding, Daniel; Kociok-Köhn, Gabriele; Kumar, Abhinav","New 1,2-bis(diphenylphosphino)ethane-laden Co(iii) dithiolate anions: dithiolate-mediated tuning of electrocatalytic performance for non-aqueous hydrogen evolution reaction","New Journal of Chemistry","2025","49","30","13175","13188","10.1039/D5NJ02374B","","x-ray","0.71073","MoKα","","0.1022","0.0696","","","0.1425","0.1605","","","","","","1.072","","","","has coordinates,has disorder","301619","2025-08-05","22:21:44",""
"7063870","10.3965","0.0005","31.2909","0.0017","11.7562","0.0006","90","","105.832","0.003","90","","3679.4","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86.4 H46.6 Eu2 F13 N4 O12 -","- C86.4 H46.6 Eu2 F13 N4 O12 -","- C172.8 H93.2 Eu4 F26 N8 O24 -","2","0.5","","Levina, Anastasia A.; Chistyakov, Aleksandr S.; Shmelev, Maxim A.; Varaksina, Evgeniya A.; Voronina, Julia K.; Gogoleva, Natalia V.; Taydakov, Ilya V.; Sidorov, Alexey. A.; Eremenko, Igor. L.","Effects of combining fluorinated and non-fluorinated monocarboxylate anions in lanthanide complexes on the structure and photoluminescence properties","New Journal of Chemistry","2025","49","30","12959","12970","10.1039/D5NJ01296A","","","1.54178","CuKα","","0.0881","0.0779","","","0.1725","0.177","","","","","","1.222","","","","has coordinates,has disorder","301621","2025-08-05","22:22:19",""
"7063871","8.1936","0.0009","13.816","0.002","14.573","0.002","94.343","0.006","91.165","0.004","100.944","0.005","1614","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H34 Eu2 F20 N4 O14 -","- C74 H34 Eu2 F20 N4 O14 -","- C74 H34 Eu2 F20 N4 O14 -","1","0.5","","Levina, Anastasia A.; Chistyakov, Aleksandr S.; Shmelev, Maxim A.; Varaksina, Evgeniya A.; Voronina, Julia K.; Gogoleva, Natalia V.; Taydakov, Ilya V.; Sidorov, Alexey. A.; Eremenko, Igor. L.","Effects of combining fluorinated and non-fluorinated monocarboxylate anions in lanthanide complexes on the structure and photoluminescence properties","New Journal of Chemistry","2025","49","30","12959","12970","10.1039/D5NJ01296A","","","0.71073","MoKα","","0.0651","0.0465","","","0.0892","0.0964","","","","","","1.026","","","","has coordinates","301621","2025-08-05","22:22:20",""
"7063872","12.814","0.003","13.154","0.003","13.473","0.003","78.612","0.006","87.418","0.006","78.377","0.006","2180.6","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C98 H68 Eu2 F14 N8 O12 -","- C98 H68 Eu2 F14 N8 O12 -","- C98 H68 Eu2 F14 N8 O12 -","1","0.5","","Levina, Anastasia A.; Chistyakov, Aleksandr S.; Shmelev, Maxim A.; Varaksina, Evgeniya A.; Voronina, Julia K.; Gogoleva, Natalia V.; Taydakov, Ilya V.; Sidorov, Alexey. A.; Eremenko, Igor. L.","Effects of combining fluorinated and non-fluorinated monocarboxylate anions in lanthanide complexes on the structure and photoluminescence properties","New Journal of Chemistry","2025","49","30","12959","12970","10.1039/D5NJ01296A","","","0.71073","MoKα","","0.0581","0.0412","","","0.0971","0.1047","","","","","","1.028","","","","has coordinates","301621","2025-08-05","22:22:20",""
"7063873","11.7808","0.0015","14.0813","0.0017","14.552","0.0018","61.931","0.003","78.366","0.004","67.495","0.004","1967.2","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cl6 N8 O4 Si2 -","- C46 H46 Cl6 N8 O4 Si2 -","- C46 H46 Cl6 N8 O4 Si2 -","1","0.5","","Ni, Congjian; Ma, Xiaoli; Yang, Zhi","Synthesis, structure, and characterization of a novel heterocyclic organosilicon-quinone adduct","New Journal of Chemistry","2025","49","31","13352","13356","10.1039/D5NJ00982K","","","0.71073","MoKα","","0.1623","0.1011","","","0.2552","0.2926","","","","","","1.081","","","","has coordinates,has disorder","301627","2025-08-05","22:24:00",""
"7063874","15.455","0.002","17.685","0.002","18.393","0.002","90","","111.388","0.007","90","","4681","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Terbium-benzimidazole","Tb(fod)3(bzi)","","- C37 H36 F21 N2 O6 Tb -","- C37.021 H36.063 F21 N2 O6 Tb -","- C148.084 H144.252 F84 N8 O24 Tb4 -","4","1","","Ali, Asgar; Ahmed, Zubair; Iftikhar, Khalid; Uddin, Rahis","Photophysical studies of low-symmetry Sm(iii) and Tb(iii) complexes reveal remarkable quantum yields","New Journal of Chemistry","2025","49","28","12368","12381","10.1039/D5NJ01687H","","","1.54178","CuKα","","0.0825","0.0549","","","0.1365","0.1569","","","","","","1.051","","","","has coordinates,has disorder","301442","2025-08-04","07:36:49",""
"7063875","34.7416","0.0015","29.0218","0.0007","46.1827","0.0017","90","","113.616","0.005","90","","42665","3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C238 H184 Eu4 F36 N16 O24.5 -","- C238 H184 Eu4 F36 N16 O24.5 -","- C952 H736 Eu16 F144 N64 O98 -","4","1","","Guo, Feng; Zhang, Xiao-Wei; Wu, Jin-Xiu; Liu, Zhao-Gang","Chiral Eu(iii) tetrahedral cage: circularly polarized luminescence induced by an ancillary chiral terpyridyl ligand","New Journal of Chemistry","2025","49","29","12708","12715","10.1039/D5NJ01193K","","x-ray","0.71073","MoKα","","0.1266","0.0902","","","0.2509","0.2888","","","","","","1.056","","","","has coordinates,has disorder","301616","2025-08-05","22:20:38",""
"7063876","12.171","0.0017","17.084","0.002","19.615","0.003","90","","97.351","0.004","90","","4045","1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 Cl2 N10 O12 Zn -","- C33 H34 Cl2 N10 O12 Zn -","- C132 H136 Cl8 N40 O48 Zn4 -","4","1","","Das, Bhriguram; Giri, Pravat K.; Barman, Milan K.; Upadhyaya, Priyanka; Pakrashy, Sourav; Dolai, Malay","Quinoline-based bio-compatible fluorophore employing a dual sensor for Mg(ii) and Zn(ii): insights from single crystal structures and spectroscopic, DFT and cell imaging studies","New Journal of Chemistry","2025","49","31","13666","13677","10.1039/D5NJ01265A","","","0.71073","MoKα","","0.0976","0.0731","","","0.2207","0.2315","","","","","","1.587","","","","has coordinates","301624","2025-08-05","22:23:10",""
"7063877","22.6848","0.0012","18.0621","0.0009","16.8994","0.0009","90","","115.938","0.002","90","","6226.8","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H74 N20 O7 -","- C68 H74 N20 O7 -","- C272 H296 N80 O28 -","4","0.5","","Das, Bhriguram; Giri, Pravat K.; Barman, Milan K.; Upadhyaya, Priyanka; Pakrashy, Sourav; Dolai, Malay","Quinoline-based bio-compatible fluorophore employing a dual sensor for Mg(ii) and Zn(ii): insights from single crystal structures and spectroscopic, DFT and cell imaging studies","New Journal of Chemistry","2025","49","31","13666","13677","10.1039/D5NJ01265A","","","1.54178","CuKα","","0.0709","0.0676","","","0.2187","0.221","","","","","","1.809","","","","has coordinates","301624","2025-08-05","22:23:11",""
"7063878","12.884","0.0006","15.2319","0.0008","15.1533","0.0007","90","","113.908","0.002","90","","2718.6","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(4-oxo-2-phenyl-4H-chromen-3-olate)-(1-methyl-4-((6-methylpyridin-2-yl)methyl)-1,4-diazepane)-copper(II) perchlorate","","- C28 H30 Cl Cu N3 O7 -","- C28 H30 Cl Cu N3 O7 -","- C112 H120 Cl4 Cu4 N12 O28 -","4","1","","Ajaykamal, Tamilarasan; Bharadwaj, Vishnubhotla V. Sai Siva; Köckerling, Martin; Vadivelu, Prabha; Palaniandavar, Mallayan","Copper(ii)-flavonolate complexes of sterically hindering 3N ligands as enzyme-substrate models for copper(ii) quercetin 2,4-dioxygenase: experimental and computational study on the dioxygenation reactivity","New Journal of Chemistry","2025","49","29","12861","12874","10.1039/D4NJ05389C","","","0.71073","MoKα","","0.0849","0.0564","","","0.1383","0.1606","","","","","","1.023","","","","has coordinates","301617","2025-08-05","22:20:47",""
"7063879","9.2636","0.0012","9.3983","0.0019","17.871","0.003","85.111","0.008","87.555","0.006","69.989","0.005","1456.5","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 Co2 N7 O14 -","- C20 H36 Co2 N7 O14 -","- C40 H72 Co4 N14 O28 -","2","1","","Vidya, Kannan Sree; Yamuna, Ganesh; Bhuvanesh, Nattamai; Ghosh, Ayyan; Dasgupta, Sreeja; Mandal, Sukanta; Vasanthkumar, Rajkumar; Gurusaravanan, Packiaraj; Sundaravel, Karuppasamy","Impact of ligand steric hindrance on the phenoxazinone synthase-like reactivity and antibacterial activity of cobalt(iii) complexes of N2O donor ligands","New Journal of Chemistry","2025","49","20","8576","8593","10.1039/D5NJ00515A","","","0.71073","MoKα","","0.0402","0.0348","","","0.0963","0.0999","","","","","","1.013","","","","has coordinates","300374","2025-07-05","22:27:37",""
"7063880","9.4192","0.0002","10.3525","0.0002","10.7729","0.0003","101.111","0.002","103.881","0.002","96.082","0.002","987.84","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 Co N6 O8 -","- C16 H23 Co N6 O8 -","- C32 H46 Co2 N12 O16 -","2","1","","Vidya, Kannan Sree; Yamuna, Ganesh; Bhuvanesh, Nattamai; Ghosh, Ayyan; Dasgupta, Sreeja; Mandal, Sukanta; Vasanthkumar, Rajkumar; Gurusaravanan, Packiaraj; Sundaravel, Karuppasamy","Impact of ligand steric hindrance on the phenoxazinone synthase-like reactivity and antibacterial activity of cobalt(iii) complexes of N2O donor ligands","New Journal of Chemistry","2025","49","20","8576","8593","10.1039/D5NJ00515A","","x-ray","1.54184","CuKα","","0.0331","0.0312","","","0.0829","0.0834","","","","","","1.086","","","","has coordinates","300374","2025-07-05","22:27:57",""
"7063881","14.3873","0.0004","20.8399","0.0006","15.6429","0.0004","90","","99.425","0.003","90","","4626.9","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H30.84 Co N6 O9.92 -","- C18 H30.84 Co N6 O9.92 -","- C144 H246.72 Co8 N48 O79.36 -","8","2","","Vidya, Kannan Sree; Yamuna, Ganesh; Bhuvanesh, Nattamai; Ghosh, Ayyan; Dasgupta, Sreeja; Mandal, Sukanta; Vasanthkumar, Rajkumar; Gurusaravanan, Packiaraj; Sundaravel, Karuppasamy","Impact of ligand steric hindrance on the phenoxazinone synthase-like reactivity and antibacterial activity of cobalt(iii) complexes of N2O donor ligands","New Journal of Chemistry","2025","49","20","8576","8593","10.1039/D5NJ00515A","","x-ray","1.54184","CuKα","","0.0622","0.0573","","","0.1559","0.1596","","","","","","1.084","","","","has coordinates,has disorder","300374","2025-07-05","22:28:04",""
"7063882","10.7531","0.0003","11.655","0.0003","13.0553","0.0003","114.72","0.002","110.413","0.002","95.321","0.002","1337.1","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 Cu N2 O2 -","- C38 H24 Cu N2 O2 -","- C76 H48 Cu2 N4 O4 -","2","1","","Sarkar, Gayetri; Paramanik, Krishnendu; Bandopadhyay, Nilaj; Chatterjee, Souvik; Saha, Subhajit; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar","Copper(ii) phenalenyl complexes: structures, redox properties and catalytic activity towards Sonogashira coupling reactions","New Journal of Chemistry","2025","49","20","8232","8238","10.1039/D5NJ00906E","","x-ray","1.54184","CuKα","","0.0439","0.0405","","","0.1113","0.1141","","","","","","1.085","","","","has coordinates","300375","2025-07-05","22:29:06",""
"7063883","10.3285","0.0002","11.4386","0.0002","15.1218","0.0002","98.861","0.001","90.675","0.001","115.378","0.002","1588.81","0.05","99.91","0.19","99.91","0.19","","","","","","","","2","P -1","-P 1","2","","","","- C24 H16 -","- C24 H16 -","- C96 H64 -","4","2","","Sarkar, Gayetri; Paramanik, Krishnendu; Bandopadhyay, Nilaj; Chatterjee, Souvik; Saha, Subhajit; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar","Copper(ii) phenalenyl complexes: structures, redox properties and catalytic activity towards Sonogashira coupling reactions","New Journal of Chemistry","2025","49","20","8232","8238","10.1039/D5NJ00906E","","x-ray","1.54184","CuKα","","0.0503","0.0451","","","0.1226","0.1271","","","","","","1.071","","","","has coordinates","300375","2025-07-05","22:29:18",""
"7063884","4.4721","0.0001","13.4666","0.0004","14.7928","0.0004","90","","93.28","0.002","90","","889.42","0.04","110","16","110","16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 Cu O4 -","- C26 H14 Cu O4 -","- C52 H28 Cu2 O8 -","2","0.5","","Sarkar, Gayetri; Paramanik, Krishnendu; Bandopadhyay, Nilaj; Chatterjee, Souvik; Saha, Subhajit; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar","Copper(ii) phenalenyl complexes: structures, redox properties and catalytic activity towards Sonogashira coupling reactions","New Journal of Chemistry","2025","49","20","8232","8238","10.1039/D5NJ00906E","","x-ray","1.54184","CuKα","","0.0328","0.0322","","","0.0935","0.094","","","","","","1.092","","","","has coordinates","300375","2025-07-05","22:29:29",""
"7063885","16.7265","0.0003","3.759","0.0001","21.7296","0.0003","90","","96.719","0.002","90","","1356.86","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Cu O6 -","- C38 H26 Cu O6 -","- C76 H52 Cu2 O12 -","2","0.5","","Sarkar, Gayetri; Paramanik, Krishnendu; Bandopadhyay, Nilaj; Chatterjee, Souvik; Saha, Subhajit; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar","Copper(ii) phenalenyl complexes: structures, redox properties and catalytic activity towards Sonogashira coupling reactions","New Journal of Chemistry","2025","49","20","8232","8238","10.1039/D5NJ00906E","","x-ray","1.54184","CuKα","","0.0419","0.0395","","","0.1135","0.1157","","","","","","1.075","","","","has coordinates","300375","2025-07-05","22:29:33",""
"7063886","19.153","0.0005","10.6458","0.0003","18.1359","0.0004","90","","114.701","0.001","90","","3359.54","0.15","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 N O5 -","- C21 H15 N O5 -","- C168 H120 N8 O40 -","8","1","","Xia, Shendan; Wang, Chaojie; Xu, Yuyan; Zheng, Hao; Chen, Zhiwei","Metal-free three-component reactions of alkynes for the construction of 3,4-difunctionalized benzo[h]coumarins","New Journal of Chemistry","2025","49","18","7541","7545","10.1039/D5NJ00599J","","","0.71073","MoKα","","0.048","0.0409","","","0.1024","0.1082","","","","","","1.047","","","","has coordinates","300376","2025-07-05","22:30:34",""
"7063887","6.7083","0.0004","4.0046","0.0003","29.4801","0.0018","90","","92.687","0.003","90","","791.08","0.09","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 Br N2 O -","- C8 H7 Br N2 O -","- C32 H28 Br4 N8 O4 -","4","1","","Wan, Boheng; Cui, Kairan; Xu, Jie; Xing, Shaohua; Zhu, Zimo; Lai, Yang; Wu, Sheng; Guo, Jiaxuan; Chen, Yadong; Lu, Tao; Feng, Jie; Zhu, Yong","Metal-free selective alcohol oxidation via quinazolinone: mechanistic insights and sustainable applications","New Journal of Chemistry","2025","49","18","7314","7318","10.1039/D5NJ00893J","","x-ray","1.34139","GaKα","","0.0399","0.0353","","","0.0936","0.0981","","","","","","1.057","","","","has coordinates","300377","2025-07-05","22:31:48",""
"7063888","11.0506","0.0011","16.3601","0.0014","16.9891","0.0015","90","","126.359","0.006","90","","2473.5","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Br Cl Cu N4 O5 -","- C23 H24 Br Cl Cu N4 O5 -","- C92 H96 Br4 Cl4 Cu4 N16 O20 -","4","1","","Ari, Biman; Das, Manik; Mukherjee, Somali; Basak, Deblina; Bera, Analava; Biswas, Arunima; Kundu, Pronab; Brandao, Paola; Mondal, Shrabani; Samanta, Bidhan Chandra; Maity, Tithi","Experimental and theoretical studies on piperidine-based heteroleptic Schiff base Ni(ii) and Cu(ii) complexes investigating DNA/protein binding and anticancer activities","New Journal of Chemistry","2025","49","31","13446","13462","10.1039/D5NJ02225H","","","0.71073","MoKα","","0.2082","0.0567","","","0.1112","0.1565","","","","","","0.95","","","","has coordinates","301623","2025-08-05","22:22:46",""
"7063889","10.6529","0.0007","21.2436","0.0013","8.6654","0.0006","90","","90.147","0.003","90","","1961","0.2","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 Br2 N12 Ni2 O4 -","- C32 H46 Br2 N12 Ni2 O4 -","- C64 H92 Br4 N24 Ni4 O8 -","2","0.5","","Ari, Biman; Das, Manik; Mukherjee, Somali; Basak, Deblina; Bera, Analava; Biswas, Arunima; Kundu, Pronab; Brandao, Paola; Mondal, Shrabani; Samanta, Bidhan Chandra; Maity, Tithi","Experimental and theoretical studies on piperidine-based heteroleptic Schiff base Ni(ii) and Cu(ii) complexes investigating DNA/protein binding and anticancer activities","New Journal of Chemistry","2025","49","31","13446","13462","10.1039/D5NJ02225H","","","0.71073","MoKα","","0.0354","0.032","","","0.0819","0.0833","","","","","","1.119","","","","has coordinates","301623","2025-08-05","22:22:57",""
"7063890","7.1868","0.0006","11.086","0.001","12.1627","0.0011","92.586","0.003","99.183","0.003","101.063","0.003","935.97","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N O3 P -","- C22 H20 N O3 P -","- C44 H40 N2 O6 P2 -","2","1","","Slobodskaia, Serafima S.; Tsebrikova, Galina S.; Ivanova, Irina S.; Solov'ev, Vitaly P.; Ilyukhin, Andrey B.; He, Tao; Pyatova, Elena N.; Galkina, Elena N.; Baulin, Vladimir E.; Tsivadze, Aslan Yu.","Phosphoryl-containing derivatives of 8-hydroxyquinoline for the selective detection of uranyl cations","New Journal of Chemistry","2025","49","31","13527","13538","10.1039/D5NJ01822F","","","0.71073","MoKα","","0.1228","0.0611","","","0.1171","0.1486","","","","","","1.025","","","","has coordinates","301626","2025-08-05","22:23:41",""
"7063891","9.6536","0.0006","11.2118","0.0007","12.9305","0.0008","105.899","0.002","111.054","0.002","93.727","0.002","1235.14","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 Cl2 N O6.5 P -","- C22 H29 Cl2 N O6.5 P -","- C44 H58 Cl4 N2 O13 P2 -","2","1","","Slobodskaia, Serafima S.; Tsebrikova, Galina S.; Ivanova, Irina S.; Solov'ev, Vitaly P.; Ilyukhin, Andrey B.; He, Tao; Pyatova, Elena N.; Galkina, Elena N.; Baulin, Vladimir E.; Tsivadze, Aslan Yu.","Phosphoryl-containing derivatives of 8-hydroxyquinoline for the selective detection of uranyl cations","New Journal of Chemistry","2025","49","31","13527","13538","10.1039/D5NJ01822F","","","0.71073","MoKα","","0.0664","0.0475","","","0.1006","0.1084","","","","","","1.061","","","","has coordinates,has disorder","301626","2025-08-05","22:23:50",""
"7063892","8.085","0.0007","16.7576","0.0015","11.3946","0.0009","90","","110.679","0.002","90","","1444.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H21 N6 O19 P U -","- C20 H21 N6 O19 P U -","- C40 H42 N12 O38 P2 U2 -","2","0.5","","Slobodskaia, Serafima S.; Tsebrikova, Galina S.; Ivanova, Irina S.; Solov'ev, Vitaly P.; Ilyukhin, Andrey B.; He, Tao; Pyatova, Elena N.; Galkina, Elena N.; Baulin, Vladimir E.; Tsivadze, Aslan Yu.","Phosphoryl-containing derivatives of 8-hydroxyquinoline for the selective detection of uranyl cations","New Journal of Chemistry","2025","49","31","13527","13538","10.1039/D5NJ01822F","","","0.71073","MoKα","","0.0412","0.037","","","0.0901","0.093","","","","","","1.128","","","","has coordinates,has disorder","301626","2025-08-05","22:23:50",""
"7063893","29.4663","0.0017","10.4668","0.0005","8.6344","0.0005","90","","95.322","0.003","90","","2651.5","0.3","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl2 Cu N2 O -","- C12 H12 Cl2 Cu N2 O -","- C96 H96 Cl16 Cu8 N16 O8 -","8","1","","Kumar, Bidyapati; Chatterjee, Abhishikta; Chakraborty, Priyanka; Mandal, Sourav; Dey, Subrata K.","A mononuclear Cu(ii) complex as a functional mimic of both catechol oxidase and phenoxazinone synthase","New Journal of Chemistry","2025","49","32","13849","13857","10.1039/D5NJ02504D","","","0.71073","MoKα","","0.0612","0.0436","","","0.1203","0.1435","","","","","","1.139","","","","has coordinates","302719","2025-10-06","10:12:19",""
"7063894","13.7455","0.0014","11.5943","0.0012","18.7396","0.0019","90","","100.723","0.007","90","","2934.4","0.5","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cl4 N4 Zn -","- C30 H22 Cl4 N4 Zn -","- C120 H88 Cl16 N16 Zn4 -","4","1","","Li, Mengmeng; Du, Zhi-Hong; Bo, Chunbo; Li, Min; Chen, Fei; Liu, Ning","Zn–N3 complexes for the cycloaddition of epoxides with CO2 at atmospheric pressure","New Journal of Chemistry","2025","49","30","13125","13135","10.1039/D5NJ01560J","","","1.54178","CuKα","","0.0891","0.0619","","","0.1565","0.1811","","","","","","1.04","","","","has coordinates,has disorder","301622","2025-08-05","22:22:35",""
"7063895","11.2951","0.0012","8.832","0.0008","16.7065","0.0016","90","","95.713","0.003","90","","1658.3","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl2 N4 Zn -","- C17 H12 Cl2 N4 Zn -","- C68 H48 Cl8 N16 Zn4 -","4","1","","Li, Mengmeng; Du, Zhi-Hong; Bo, Chunbo; Li, Min; Chen, Fei; Liu, Ning","Zn–N3 complexes for the cycloaddition of epoxides with CO2 at atmospheric pressure","New Journal of Chemistry","2025","49","30","13125","13135","10.1039/D5NJ01560J","","","0.71073","MoKα","","0.2325","0.14","","","0.2619","0.3072","","","","","","1.099","","","","has coordinates","301622","2025-08-05","22:22:35",""
"7063896","7.9227","0.0012","7.8186","0.0011","26.463","0.003","90","","90","","90","","1639.2","0.4","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H17 N -","- C22 H17 N -","- C88 H68 N4 -","4","1","","Kujur, Jyoti Prabha; Pathak, Devendra Deo","Synthesis of a new copper(ii)-immobilized cross-linked chitosan biocomposite: its application as a heterogeneous catalyst in the synthesis of N-aryl propargylamines and their post-modification","New Journal of Chemistry","2025","49","31","13304","13317","10.1039/D5NJ02038G","","x-ray","0.71073","MoKα","","0.106","0.048","","","0.1041","0.1265","","","","","","1.016","","","","has coordinates","301625","2025-08-05","22:23:20",""
"7063897","17.5246","0.0005","11.8748","0.0003","13.3999","0.0004","90","","90","","90","","2788.53","0.13","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H21 N5 O7 -","- C33 H21 N5 O7 -","- C132 H84 N20 O28 -","4","1","","Bharti, Shachendra Kumar; Odera, Keiko; Tripathi, Kamini; Ward, Benzamin D.; Bhattacharya, S.; Takahashi, Ryoya; Mishra, Lallan","Structural and chemical investigation of a tridentate fluorescein hydrazone (LH3), a selective Cu2+ and Hg2+ chelator: detection of CN− and HSO4− by its Cu2+ complexes and effect on HeLa cell division","New Journal of Chemistry","2025","49","33","14219","14230","10.1039/D5NJ01491C","","","0.71073","MoKα","","0.0567","0.042","","","0.1027","0.1118","","","","","","1.047","","","","has coordinates,has disorder","302723","2025-10-06","10:13:33",""
"7063898","18.1151","0.0002","16.9077","0.0002","21.8085","0.0003","90","","90","","90","","6679.61","0.14","99.97","0.15","99.97","0.15","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H30 Cl Cu N5 O10 -","- C35 H30 Cl Cu N5 O10 -","- C280 H240 Cl8 Cu8 N40 O80 -","8","1","","Bharti, Shachendra Kumar; Odera, Keiko; Tripathi, Kamini; Ward, Benzamin D.; Bhattacharya, S.; Takahashi, Ryoya; Mishra, Lallan","Structural and chemical investigation of a tridentate fluorescein hydrazone (LH3), a selective Cu2+ and Hg2+ chelator: detection of CN− and HSO4− by its Cu2+ complexes and effect on HeLa cell division","New Journal of Chemistry","2025","49","33","14219","14230","10.1039/D5NJ01491C","","x-ray","1.54184","CuKα","","0.0533","0.0439","","","0.1189","0.1276","","","","","","1.025","","","","has coordinates","302723","2025-10-06","10:13:35",""
"7063899","7.50776","0.00006","23.8096","0.0002","19.83429","0.00015","90","","91.7371","0.0007","90","","3543.88","0.05","104","6","104.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 Cu N6 O15 -","- C35 H34 Cu N6 O15 -","- C140 H136 Cu4 N24 O60 -","4","1","","Bharti, Shachendra Kumar; Odera, Keiko; Tripathi, Kamini; Ward, Benzamin D.; Bhattacharya, S.; Takahashi, Ryoya; Mishra, Lallan","Structural and chemical investigation of a tridentate fluorescein hydrazone (LH3), a selective Cu2+ and Hg2+ chelator: detection of CN− and HSO4− by its Cu2+ complexes and effect on HeLa cell division","New Journal of Chemistry","2025","49","33","14219","14230","10.1039/D5NJ01491C","","","1.54184","CuKα","","0.0465","0.0411","","","0.1156","0.1205","","","","","","1.048","","","","has coordinates","302723","2025-10-06","10:13:45",""
"7063900","7.8093","0.0002","18.765","0.0004","23.2256","0.0006","90","","91.465","0.002","90","","3402.4","0.14","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 Cl Cu N5 O14 -","- C33 H26 Cl Cu N5 O14 -","- C132 H104 Cl4 Cu4 N20 O56 -","4","1","","Bharti, Shachendra Kumar; Odera, Keiko; Tripathi, Kamini; Ward, Benzamin D.; Bhattacharya, S.; Takahashi, Ryoya; Mishra, Lallan","Structural and chemical investigation of a tridentate fluorescein hydrazone (LH3), a selective Cu2+ and Hg2+ chelator: detection of CN− and HSO4− by its Cu2+ complexes and effect on HeLa cell division","New Journal of Chemistry","2025","49","33","14219","14230","10.1039/D5NJ01491C","","x-ray","1.54184","CuKα","","0.1037","0.0667","","","0.1775","0.2058","","","","","","1.045","","","","has coordinates","302723","2025-10-06","10:13:46",""
"7063901","23.8092","0.0018","23.8092","0.0018","15.702","0.0014","90","","90","","90","","8901.1","1.2","139","","139","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C7 H5 N4 O6 Y -","- C7 H5 N4 O6 Y -","- C112 H80 N64 O96 Y16 -","16","0.5","","Yang, Jiajie; Shao, Zhen-Wu; Qiu, Yuqing; Xiong, Chaozhi; Zhang, Zhiyuan; Liu, Chong","Construction of a robust yttrium-hydroxamate metal–organic framework for H2O adsorption","New Journal of Chemistry","2025","49","32","13694","13698","10.1039/D5NJ01353D","","x-ray","0.71073","MoKα","","0.0722","0.0564","","","0.1647","0.1793","","","","","","1.1","","","","has coordinates,has disorder","302717","2025-10-06","10:11:41",""
"7063902","8.5375","0.0006","10.2973","0.0007","12.0126","0.0007","83.133","0.003","71.29","0.003","88.065","0.003","993.07","0.11","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cl N O3 -","- C24 H18 Cl N O3 -","- C48 H36 Cl2 N2 O6 -","2","1","","Banu, Shaik Farheen; Sreeshitha, Mandapalli; Wilhelm, René; Reddy, Peddiahgari Vasu Govardhana","Efficient synthesis of spirooxindole γ-lactones catalysed by new bis-benzimidazolinium NHC precursors","New Journal of Chemistry","2025","49","33","14256","14264","10.1039/D5NJ02315G","","","1.54178","CuKα","","0.0809","0.076","","","0.2109","0.2217","","","","","","1.089","","","","has coordinates","302725","2025-10-06","10:14:20",""
"7063903","9.8497","0.0008","32.182","0.003","12.7803","0.0009","90","","90.476","0.003","90","","4051","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 N4 O6 Zn -","- C44 H36 N4 O5 Zn -","- C176 H144 N16 O20 Zn4 -","4","1","","Ngo, Quang-Thien; Cao, Phuong-Lien Doan; Wu, Zhiyuan; Siwawannapong, Kittipan; Ntim, Thomas; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of compact water-soluble bioconjugatable porphyrins for life sciences applications","New Journal of Chemistry","2025","49","36","15584","15611","10.1039/D5NJ02077H","","x-ray","0.71073","MoKα","","0.0625","0.0569","","","0.1392","0.1434","","","","","","1.024","","","","has coordinates,has disorder","302727","2025-10-06","10:15:12",""
"7063904","7.2415","0.0002","17.2244","0.0005","13.8163","0.0004","90","","99.585","0.001","90","","1699.26","0.08","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Ngo, Quang-Thien; Cao, Phuong-Lien Doan; Wu, Zhiyuan; Siwawannapong, Kittipan; Ntim, Thomas; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of compact water-soluble bioconjugatable porphyrins for life sciences applications","New Journal of Chemistry","2025","49","36","15584","15611","10.1039/D5NJ02077H","","","0.71073","MoKα","","0.0448","0.0388","","","0.0946","0.0992","","","","","","1.02","","","","has coordinates","302727","2025-10-06","10:15:12",""
"7063905","31.7076","0.0013","16.367","0.0006","11.4836","0.0005","90","","106.795","0.004","90","","5705.3","0.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","complex1","","","- C46 H58 Mn2 N8 Na2 O13 S4 -","- C46 H58 Mn2 N8 Na2 O13 S4 -","- C184 H232 Mn8 N32 Na8 O52 S16 -","4","0.5","","Ma, De-Yang; Li, Shan-Shan; Zhao, Xin-Hua; Wang, Yan-Lan; Zhang, Shao-Liang","A heterometallic {MnIIINaI}2 coordination compound exhibiting field-induced slow magnetic relaxation","New Journal of Chemistry","2025","49","32","13705","13708","10.1039/D5NJ02593A","","","0.71073","MoKα","","0.0794","0.0527","","","0.1276","0.1523","","","","","","0.845","","","","has coordinates,has disorder","302720","2025-10-06","10:12:38",""
"7063906","12.0573","0.0005","14.1028","0.0006","16.6834","0.0008","90","","101.695","0.0012","90","","2778","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(1,2,5,6-η)-cycloocta-1,5-diene]-(3-{9-[2-(diphenylphosphanyl)ethyl]-9λ5-borabicyclo[3.3.1]nonan-9-yl}triaza-1,2-dien-2-ium-1-ide)-rhodium","","- C30 H40 B N3 P Rh -","- C30 H40 B N3 P Rh -","- C120 H160 B4 N12 P4 Rh4 -","4","1","","Nichols, Brian R.; Petersen, Jeffrey L.; Dolinar, Brian S.; Popp, Brian V.","Primary and secondary coordination sphere Lewis acid interactions in β-phosphinoethylborane-ligated rhodium and iridium complexes","New Journal of Chemistry","2025","49","32","14073","14081","10.1039/D5NJ01429H","","","0.71073","MoKα","","0.0552","0.0373","","","0.0747","0.0832","","","","","","1.066","","","","has coordinates","302716","2025-10-06","10:11:16",""
"7063907","12.0583","0.0005","14.141","0.0005","16.6581","0.0006","90","","101.654","0.0011","90","","2781.92","0.18","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(1,2,5,6-η)-cycloocta-1,5-diene]-(3-{9-[2-(diphenylphosphanyl)ethyl]-9λ5-borabicyclo[3.3.1]nonan-9-yl}triaza-1,2-dien-2-ium-1-ide)-iridium","","- C30 H40 B Ir N3 P -","- C30 H40 B Ir N3 P -","- C120 H160 B4 Ir4 N12 P4 -","4","1","","Nichols, Brian R.; Petersen, Jeffrey L.; Dolinar, Brian S.; Popp, Brian V.","Primary and secondary coordination sphere Lewis acid interactions in β-phosphinoethylborane-ligated rhodium and iridium complexes","New Journal of Chemistry","2025","49","32","14073","14081","10.1039/D5NJ01429H","","","0.71073","MoKα","","0.0341","0.0284","","","0.0585","0.0611","","","","","","1.141","","","","has coordinates","302716","2025-10-06","10:11:20",""
"7063908","16.5001","0.0006","16.5001","0.0006","15.1817","0.0006","90","","90","","90","","4133.3","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","Bromo-(diphenyl(ethyl)phosphine)-(cycloocta-1,5-diene)-rhodium","","- C22 H27 Br P Rh -","- C22 H27 Br P Rh -","- C176 H216 Br8 P8 Rh8 -","8","1","","Nichols, Brian R.; Petersen, Jeffrey L.; Dolinar, Brian S.; Popp, Brian V.","Primary and secondary coordination sphere Lewis acid interactions in β-phosphinoethylborane-ligated rhodium and iridium complexes","New Journal of Chemistry","2025","49","32","14073","14081","10.1039/D5NJ01429H","","","0.71073","MoKα","","0.0458","0.0345","","","0.0801","0.0906","","","","","","1.034","","","","has coordinates","302716","2025-10-06","10:11:24",""
"7063909","10.9766","0.0006","11.6327","0.0007","12.9516","0.0007","65.439","0.001","75.541","0.001","62.301","0.001","1328.48","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 B Cl Ir P -","- C30 H40 B Cl Ir P -","- C60 H80 B2 Cl2 Ir2 P2 -","2","1","","Nichols, Brian R.; Petersen, Jeffrey L.; Dolinar, Brian S.; Popp, Brian V.","Primary and secondary coordination sphere Lewis acid interactions in β-phosphinoethylborane-ligated rhodium and iridium complexes","New Journal of Chemistry","2025","49","32","14073","14081","10.1039/D5NJ01429H","","x-ray","0.71073","MoKα","K-L~3~","0.052","0.0414","","","0.0825","0.086","","","","","","1.037","","","","has coordinates","302716","2025-10-06","10:11:24",""
"7063910","9.8906","0.0009","12.8325","0.0013","13.14","0.0013","114.412","0.002","93.805","0.002","92.019","0.002","1511.7","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","chloro-[(1,2,5,6-η)-cycloocta-1,5-diene]-[{9-[2-(diphenylphosphanyl)ethyl]-9λ5-borabicyclo[3.3.1]nonan-9-yl}(ethylidyne)-λ5-azane]-iridium","","- C32 H43 B Cl Ir N P -","- C32 H43 B Cl Ir N P -","- C64 H86 B2 Cl2 Ir2 N2 P2 -","2","1","","Nichols, Brian R.; Petersen, Jeffrey L.; Dolinar, Brian S.; Popp, Brian V.","Primary and secondary coordination sphere Lewis acid interactions in β-phosphinoethylborane-ligated rhodium and iridium complexes","New Journal of Chemistry","2025","49","32","14073","14081","10.1039/D5NJ01429H","","","0.71073","MoKα","","0.0492","0.04","","","0.1012","0.1074","","","","","","1.032","","","","has coordinates","302716","2025-10-06","10:11:24",""
"7063911","10.8655","0.0004","11.6362","0.0004","13.1121","0.0005","65.1401","0.0011","75.7848","0.0011","63.079","0.001","1338.05","0.09","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 B Br P Rh -","- C30 H40 B Br P Rh -","- C60 H80 B2 Br2 P2 Rh2 -","2","1","","Nichols, Brian R.; Petersen, Jeffrey L.; Dolinar, Brian S.; Popp, Brian V.","Primary and secondary coordination sphere Lewis acid interactions in β-phosphinoethylborane-ligated rhodium and iridium complexes","New Journal of Chemistry","2025","49","32","14073","14081","10.1039/D5NJ01429H","","","0.71073","MoKα","","0.0318","0.0217","","","0.0465","0.0493","","","","","","1.042","","","","has coordinates","302716","2025-10-06","10:11:24",""
"7063912","12.2787","0.0005","14.2439","0.0006","25.4195","0.001","96.1831","0.0012","100.436","0.0011","114.988","0.0011","3877.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dichlorotetrakis{2-[9-borabicyclo[3.3.1]nonan-9-yl]ethyl}(diphenyl)phosphine)}dirhodium","","- C88 H112 B4 Cl2 P4 Rh2 -","- C88 H112 B4 Cl2 P4 Rh2 -","- C176 H224 B8 Cl4 P8 Rh4 -","2","1","","Nichols, Brian R.; Petersen, Jeffrey L.; Dolinar, Brian S.; Popp, Brian V.","Primary and secondary coordination sphere Lewis acid interactions in β-phosphinoethylborane-ligated rhodium and iridium complexes","New Journal of Chemistry","2025","49","32","14073","14081","10.1039/D5NJ01429H","","","0.71073","MoKα","","0.0592","0.0442","","","0.089","0.0942","","","","","","1.075","","","","has coordinates","302716","2025-10-06","10:11:24",""
"7063913","6.6713","0.0002","11.1427","0.0003","14.3771","0.0003","98.336","0.001","100.639","0.001","94.362","0.001","1033.45","0.05","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","(Z)-2-((6-methoxy-2-phenyl-2H-chromen-3-yl)methylene)-N-phenylhydrazine-1-carbothioamide","","- C48 H42 N6 O4 S2 -","- C48 H42 N6 O4 S2 -","- C48 H42 N6 O4 S2 -","1","0.5","","Sa, Min; Wang, Jin; Li, Jiajia; Li, Xiaojuan","A novel benzopyran-based fluorescent sensor for the selective detection of Hg2+ ions","New Journal of Chemistry","2025","49","33","14487","14493","10.1039/D5NJ02250A","","","0.71073","MoKα","","0.0472","0.0383","","","0.0969","0.1049","","","","","","1.044","","","","has coordinates","302726","2025-10-06","10:14:35",""
"7063914","17.7898","0.0007","16.0761","0.0008","14.7473","0.0006","90","","100.865","0.001","90","","4142","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H58 B2 Cu2 F8 N8 O5 -","- C33 H58 B2 Cu2 F8 N8 O5 -","- C132 H232 B8 Cu8 F32 N32 O20 -","4","1","","Liu, Yu-Di; Jiang, Wenya; Wei, Jianyu; Wu, Yuan; Shang, Jiaqi; Wang, Yimin; Wang, ShuaiQi; Liu, Kuan-Guan","Boosting the photothermal conversion performance of a dumbbell-shaped molecule with coordinated methanol","New Journal of Chemistry","2025","49","34","14659","14667","10.1039/D5NJ00995B","","","0.71073","MoKα","","0.0493","0.0354","","","0.0771","0.0844","","","","","","1.04","","","","has coordinates","302738","2025-10-06","10:18:22",""
"7063915","5.5595","0.0001","34.5896","0.0005","14.1757","0.0002","90","","97.477","0.002","90","","2702.82","0.07","273","","273","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-bis[(N-carbazole)phenyl]ethene","","- C38 H26 N2 -","- C38 H26 N2 -","- C152 H104 N8 -","4","1","","Wang, Xini; Zhang, Peng; Zheng, Ziyi; Bian, Guangling; Song, Ling","Thermal stability analysis of organic laser dye 4,4′-bis[(N-carbazole)styryl]-biphenyl","New Journal of Chemistry","2025","49","32","13709","13713","10.1039/D5NJ01391G","","","1.54184","CuKα","","0.0636","0.0561","","","0.153","0.1594","","","","","","1.062","","","","has coordinates","302715","2025-10-06","10:10:50",""
"7063916","9.8474","0.0002","13.1392","0.0002","14.3948","0.0002","97.13","0.001","92.623","0.001","97.186","0.001","1830.02","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","BSBCz-P-1","","- C52 H36 N2 -","- C52 H36 N2 -","- C104 H72 N4 -","2","1","","Wang, Xini; Zhang, Peng; Zheng, Ziyi; Bian, Guangling; Song, Ling","Thermal stability analysis of organic laser dye 4,4′-bis[(N-carbazole)styryl]-biphenyl","New Journal of Chemistry","2025","49","32","13709","13713","10.1039/D5NJ01391G","","","1.54184","CuKα","","0.0834","0.0698","","","0.1871","0.1941","","","","","","1.087","","","","has coordinates","302715","2025-10-06","10:10:51",""
"7063917","14.6593","0.001","15.7454","0.0009","31.8072","0.0018","90","","90","","90","","7341.6","0.8","296.2","","296.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","BSBCz-Pbca","","- C52 H36 N2 -","- C52 H36 N2 -","- C416 H288 N16 -","8","1","","Wang, Xini; Zhang, Peng; Zheng, Ziyi; Bian, Guangling; Song, Ling","Thermal stability analysis of organic laser dye 4,4′-bis[(N-carbazole)styryl]-biphenyl","New Journal of Chemistry","2025","49","32","13709","13713","10.1039/D5NJ01391G","","","1.54184","CuKα","","0.1143","0.082","","","0.2278","0.268","","","","","","1.085","","","","has coordinates","302715","2025-10-06","10:10:51",""
"7063918","10.1438","0.0008","10.818","0.001","11.0892","0.0007","113.382","0.008","101.243","0.006","109.981","0.008","969.58","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Co2 N14 O4 S2 -","- C36 H32 Co2 N14 O4 S2 -","- C36 H32 Co2 N14 O4 S2 -","1","0.5","","Nag, Swati; Kumar, Raman; Singh, Manjeet; Panda, Atanu; Patra, Ranjan; Sahu, Pradip Kumar; Goswami, Soumyabrata; Sahoo, Subash C.; Nanda, Prasant K.","Influence of structural diversity in Co(ii)–oxamide complexes towards single molecule magnets and electrochemical oxygen evolution reaction","New Journal of Chemistry","2025","49","35","15236","15251","10.1039/D5NJ01208B","","","0.71073","MoKα","","0.1073","0.0851","","","0.2326","0.2634","","","","","","1.061","","","","has coordinates,has disorder","302734","2025-10-06","10:17:00",""
"7063919","17.4593","0.0006","25.0962","0.0007","21.9318","0.0006","90","","110.24","0.003","90","","9016.3","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79 H77 Co4 N19 O14 S8 -","- C76 H66 Co4 N18 O11 S8 -","- C304 H264 Co16 N72 O44 S32 -","4","0.5","","Nag, Swati; Kumar, Raman; Singh, Manjeet; Panda, Atanu; Patra, Ranjan; Sahu, Pradip Kumar; Goswami, Soumyabrata; Sahoo, Subash C.; Nanda, Prasant K.","Influence of structural diversity in Co(ii)–oxamide complexes towards single molecule magnets and electrochemical oxygen evolution reaction","New Journal of Chemistry","2025","49","35","15236","15251","10.1039/D5NJ01208B","","","0.71073","MoKα","","0.0625","0.0503","","","0.1593","0.1672","","","","","","1.12","","","","has coordinates,has disorder","302734","2025-10-06","10:17:01",""
"7063920","9.7233","0.0003","21.3996","0.0006","22.8979","0.0007","90","","90","","90","","4764.5","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H24 Br2 Fe N5 O6 -","- C19 H24 Br2 Fe N5 O6 -","- C152 H192 Br16 Fe8 N40 O48 -","8","1","","Tesfaye, Dawit; Gebrezgiabher, Mamo; Braun, Jonas; Kuchár, Juraj; Černák, Juraj; Abebe, Atakilt; Boulet, Pascal; Kalarikkal, Nandakumar; Hochdörffer, Tim; Schünemann, Volker; Anson, Christopher E.; Thomas, Madhu; Powell, Annie K.","Broad spin crossover in an iron(iii) Schiff base complex with a cis-FeN4O2 coordination environment","New Journal of Chemistry","2025","49","34","14776","14781","10.1039/D5NJ02493E","","","0.71073","MoKα","","0.0526","0.0326","","","0.0682","0.0771","","","","","","1.028","","","","has coordinates,has disorder","302735","2025-10-06","10:17:20",""
"7063921","9.7654","0.0004","21.4553","0.0009","23.0286","0.001","90","","90","","90","","4824.9","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H24 Br2 Fe N5 O6 -","- C19 H24 Br2 Fe N5 O6 -","- C152 H192 Br16 Fe8 N40 O48 -","8","1","","Tesfaye, Dawit; Gebrezgiabher, Mamo; Braun, Jonas; Kuchár, Juraj; Černák, Juraj; Abebe, Atakilt; Boulet, Pascal; Kalarikkal, Nandakumar; Hochdörffer, Tim; Schünemann, Volker; Anson, Christopher E.; Thomas, Madhu; Powell, Annie K.","Broad spin crossover in an iron(iii) Schiff base complex with a cis-FeN4O2 coordination environment","New Journal of Chemistry","2025","49","34","14776","14781","10.1039/D5NJ02493E","","","0.71073","MoKα","","0.0573","0.0346","","","0.0729","0.0827","","","","","","1.01","","","","has coordinates,has disorder","302735","2025-10-06","10:17:20",""
"7063922","26.675","0.002","16.1311","0.0012","30.321","0.002","90","","104.396","0.008","90","","12637.4","1.6","150.15","","150.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H72 Co N24 O64 P2 W18 -","- C72 H72 Co N24 O64 P2 W18 -","- C288 H288 Co4 N96 O256 P8 W72 -","4","0.5","","Hao, Xiu-Li; Zhang, Chen-Hao; Feng, Chen-Kun; Su, Tian-Ru; Zhao, Mei-mei; Wen, Yan-Zhen","Two Dawson-type polyoxometalate-based metal coordination polymers as heterogeneous catalysts for desulfurization","New Journal of Chemistry","2025","49","34","14874","14881","10.1039/D5NJ02349A","","","0.71073","MoKα","","0.1001","0.0685","","","0.1632","0.1892","","","","","","1.041","","","","has coordinates","302737","2025-10-06","10:18:13",""
"7063923","14.3045","0.0009","25.6821","0.0016","14.4714","0.0009","90","","98.249","0.006","90","","5261.3","0.6","298","2","298.15","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C36 H87 N18 Ni2 O83.5 P2 W18 -","- C36 H52 N18 Ni2 O66 P2 W18 -","- C72 H104 N36 Ni4 O132 P4 W36 -","2","0.5","","Hao, Xiu-Li; Zhang, Chen-Hao; Feng, Chen-Kun; Su, Tian-Ru; Zhao, Mei-mei; Wen, Yan-Zhen","Two Dawson-type polyoxometalate-based metal coordination polymers as heterogeneous catalysts for desulfurization","New Journal of Chemistry","2025","49","34","14874","14881","10.1039/D5NJ02349A","","","0.71073","MoKα","","0.0593","0.0436","","","0.0946","0.1033","","","","","","1.01","","","","has coordinates","302737","2025-10-06","10:18:13",""
"7063924","6.935","0.002","9.239","0.003","26.657","0.009","85.783","0.012","83.437","0.01","89.824","0.009","1692.2","0.9","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 Au2 Cl9 N4 -","- C28 H27 Au2 Cl9 N4 -","- C56 H54 Au4 Cl18 N8 -","2","1","","Koshenskova, Kseniya A.; Bardina, Elena E.; Makotchenko, Eugeniya V.; Kharlamova, Viktoria Yu.; Mironov, Igor V.; Bekker, Olga B.; Treshalina, Helen M.; Sokolova, Darina V.; Pokrovsky, Vadim S.; Borodin, Eugenii A.; Kotel'nikov, Danil D.; Belyaev, Danila V.; Vakhrusheva, Diana V.; Krasnoborova, Svetlana Yu.; Rusinov, Gennadii L.; Timofeev, Eduard A.; Leusova, Nataliya Yu.; Kiskin, Mikhail A.; Gushchin, Artem L.; Eremenko, Igor L.; Lutsenko, Irina A.","Gold(iii) complexes containing (non)protonated oligopyridines—unexpected results in cancer drug research","New Journal of Chemistry","2025","49","32","14037","14052","10.1039/D5NJ02110C","","","0.71073","MoKα","","0.0731","0.0515","","","0.1118","0.1235","","","","","","1.045","","","","has coordinates,has disorder","302721","2025-10-06","10:12:47",""
"7063925","9.0224","0.0008","10.1313","0.0008","10.3591","0.0005","118.203","0.002","95.537","0.002","100.503","0.002","802.08","0.1","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Au Cl4 N3 O3 -","- C12 H10 Au Cl4 N3 O3 -","- C24 H20 Au2 Cl8 N6 O6 -","2","1","","Koshenskova, Kseniya A.; Bardina, Elena E.; Makotchenko, Eugeniya V.; Kharlamova, Viktoria Yu.; Mironov, Igor V.; Bekker, Olga B.; Treshalina, Helen M.; Sokolova, Darina V.; Pokrovsky, Vadim S.; Borodin, Eugenii A.; Kotel'nikov, Danil D.; Belyaev, Danila V.; Vakhrusheva, Diana V.; Krasnoborova, Svetlana Yu.; Rusinov, Gennadii L.; Timofeev, Eduard A.; Leusova, Nataliya Yu.; Kiskin, Mikhail A.; Gushchin, Artem L.; Eremenko, Igor L.; Lutsenko, Irina A.","Gold(iii) complexes containing (non)protonated oligopyridines—unexpected results in cancer drug research","New Journal of Chemistry","2025","49","32","14037","14052","10.1039/D5NJ02110C","","","0.71073","MoKα","","0.0281","0.0196","","","0.0403","0.043","","","","","","1.05","","","","has coordinates","302721","2025-10-06","10:12:48",""
"7063926","13.8292","0.0003","13.2771","0.0003","13.3769","0.0003","90","","90.079","0.001","90","","2456.15","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba4 Ge2 Sb2 Se1.83 Te8.17 -","- Ba4 Ge2 Sb2 Se1.827 Te8.173 -","- Ba16 Ge8 Sb8 Se7.308 Te32.692 -","4","1","","Yadav, Sweta; Swati,; Prakash, Jai","Ba4Ge2Sb2Te8Se2 and Ba2Ge2Te4.5Se0.5: complex heteroanionic Ge-containing phases with extremely low thermal conductivities","New Journal of Chemistry","2025","49","33","14131","14141","10.1039/D5NJ01642H","","","0.71073","MoKα","","0.0246","0.0194","","","0.0377","0.039","","","","","","1.074","","","","has coordinates","302722","2025-10-06","10:13:01",""
"7063927","13.288","0.006","9.107","0.004","9.894","0.004","90","","90","","90","","1197.3","0.9","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ba2 Ge2 Se0.47 Te4.53 -","- Ba2 Ge2 Se0.472 Te4.528 -","- Ba8 Ge8 Se1.888 Te18.112 -","4","1","","Yadav, Sweta; Swati,; Prakash, Jai","Ba4Ge2Sb2Te8Se2 and Ba2Ge2Te4.5Se0.5: complex heteroanionic Ge-containing phases with extremely low thermal conductivities","New Journal of Chemistry","2025","49","33","14131","14141","10.1039/D5NJ01642H","","","0.71073","MoKα","","0.0196","0.0177","","","0.0291","0.0294","","","","","","1.007","","","","has coordinates","302722","2025-10-06","10:13:01",""
"7063928","13.286","0.0007","9.0973","0.0006","9.8653","0.0005","90","","90","","90","","1192.39","0.12","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ba2 Ge2 Se0.5 Te4.5 -","- Ba2 Ge2 Se0.496 Te4.504 -","- Ba8 Ge8 Se1.984 Te18.016 -","4","1","","Yadav, Sweta; Swati,; Prakash, Jai","Ba4Ge2Sb2Te8Se2 and Ba2Ge2Te4.5Se0.5: complex heteroanionic Ge-containing phases with extremely low thermal conductivities","New Journal of Chemistry","2025","49","33","14131","14141","10.1039/D5NJ01642H","","","0.71073","MoKα","","0.0338","0.0278","","","0.0466","0.0481","","","","","","1.038","","","","has coordinates","302722","2025-10-06","10:13:01",""
"7063929","13.3789","0.0008","13.2844","0.0008","13.8394","0.0008","90","","90.106","0.002","90","","2459.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba4 Ge2 Sb2 Se1.79 Te8.21 -","- Ba4 Ge2 Sb2 Se1.794 Te8.206 -","- Ba16 Ge8 Sb8 Se7.176 Te32.824 -","4","1","","Yadav, Sweta; Swati,; Prakash, Jai","Ba4Ge2Sb2Te8Se2 and Ba2Ge2Te4.5Se0.5: complex heteroanionic Ge-containing phases with extremely low thermal conductivities","New Journal of Chemistry","2025","49","33","14131","14141","10.1039/D5NJ01642H","","","0.71073","MoKα","","0.0425","0.0396","","","0.1174","0.1187","","","","","","1.209","","","","has coordinates","302722","2025-10-06","10:13:01",""
"7063930","6.6537","0.0013","14.404","0.003","7.3521","0.0015","90","","110.64","0.03","90","","659.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","A3 Complex","","- C5 H6 Cl Co0.5 N2 O -","- C5 H6 Cl Co0.5 N2 O -","- C20 H24 Cl4 Co2 N8 O4 -","4","1","","Crespi, Ayelén F.; Pérez, Ana L.; Brondino, Carlos D.; Zomero, Paula N.; Vega, Daniel; Rodríguez-Castellón, Enrique; Lázaro-Martínez, Juan M.","Analysis of copper 4(5)-imidazolecarboxaldehyde derivatives by ss-NMR, EPR, theoretical calculations and their advanced oxidation applications","New Journal of Chemistry","2025","49","33","14473","14486","10.1039/D5NJ02171E","","","0.71073","MoKα","","0.0522","0.0326","","","0.0654","0.0708","","","","","","1.083","","","","has coordinates","302724","2025-10-06","10:14:09",""
"7063931","10.9579","0.0002","10.9579","0.0002","15.2557","0.0003","90","","90","","90","","1831.84","0.06","100","2","100","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C28 H18 N2 -","- C28 H18 N2 -","- C112 H72 N8 -","4","0.5","","Bai, Jinku; Wang, Shuo; Wang, Xin-Yue; Shen, Yun-Jia; Sun, Xin; Li, Zhi-Ao; Chen, Xu-Lang; Gong, Han-Yuan","Quantitative substituent effects in nitrogen-containing polycyclic aromatic hydrocarbons: implications for metal ion complexation","New Journal of Chemistry","2025","49","32","13699","13704","10.1039/D5NJ01550B","","","1.54184","CuKα","","0.0577","0.0503","","","0.1301","0.1353","","","","","","1.033","","","","has coordinates,has disorder","302718","2025-10-06","10:11:54",""
"7063932","15.4942","0.0004","21.0697","0.0004","15.6395","0.0003","90","","108.586","0.002","90","","4839.36","0.19","170","2","170","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C27.5 H16 Cl5 N2 O0.5 Zn -","- C27.5 H15.75 Cl5 N2 O0.5 Zn -","- C220 H126 Cl40 N16 O4 Zn8 -","8","1","","Bai, Jinku; Wang, Shuo; Wang, Xin-Yue; Shen, Yun-Jia; Sun, Xin; Li, Zhi-Ao; Chen, Xu-Lang; Gong, Han-Yuan","Quantitative substituent effects in nitrogen-containing polycyclic aromatic hydrocarbons: implications for metal ion complexation","New Journal of Chemistry","2025","49","32","13699","13704","10.1039/D5NJ01550B","","","1.54184","CuKα","","0.0679","0.0621","","","0.209","0.2129","","","","","","1.007","","","","has coordinates,has disorder","302718","2025-10-06","10:11:54",""
"7063933","13.2519","0.0005","11.526","0.0004","15.0362","0.0006","90","","113.978","0.005","90","","2098.45","0.16","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N2 O4 -","- C30 H18 N2 O4 -","- C120 H72 N8 O16 -","4","1","","Bai, Jinku; Wang, Shuo; Wang, Xin-Yue; Shen, Yun-Jia; Sun, Xin; Li, Zhi-Ao; Chen, Xu-Lang; Gong, Han-Yuan","Quantitative substituent effects in nitrogen-containing polycyclic aromatic hydrocarbons: implications for metal ion complexation","New Journal of Chemistry","2025","49","32","13699","13704","10.1039/D5NJ01550B","","","1.54184","CuKα","","0.0785","0.0606","","","0.1437","0.1537","","","","","","1.034","","","","has coordinates","302718","2025-10-06","10:11:54",""
"7063934","11.5481","0.0005","10.6993","0.0004","15.9699","0.0006","90","","106.595","0.004","90","","1891","0.14","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N2 O2 -","- C28 H18 N2 O2 -","- C112 H72 N8 O8 -","4","1","","Bai, Jinku; Wang, Shuo; Wang, Xin-Yue; Shen, Yun-Jia; Sun, Xin; Li, Zhi-Ao; Chen, Xu-Lang; Gong, Han-Yuan","Quantitative substituent effects in nitrogen-containing polycyclic aromatic hydrocarbons: implications for metal ion complexation","New Journal of Chemistry","2025","49","32","13699","13704","10.1039/D5NJ01550B","","","1.54184","CuKα","","0.0751","0.0531","","","0.1336","0.1443","","","","","","1.015","","","","has coordinates","302718","2025-10-06","10:11:54",""
"7063935","7.8812","0.0005","10.038","0.0005","13.6586","0.0007","109.138","0.005","94.299","0.005","92.69","0.005","1015.02","0.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H12.5 Cl0.5 F6 N2 -","- C28 H12.5 Cl0.5 F6 N2 -","- C56 H25 Cl F12 N4 -","2","1","","Bai, Jinku; Wang, Shuo; Wang, Xin-Yue; Shen, Yun-Jia; Sun, Xin; Li, Zhi-Ao; Chen, Xu-Lang; Gong, Han-Yuan","Quantitative substituent effects in nitrogen-containing polycyclic aromatic hydrocarbons: implications for metal ion complexation","New Journal of Chemistry","2025","49","32","13699","13704","10.1039/D5NJ01550B","","","1.54184","CuKα","","0.0732","0.0593","","","0.1519","0.1614","","","","","","1.036","","","","has coordinates,has disorder","302718","2025-10-06","10:11:54",""
"7063936","12.8362","0.0002","14.2164","0.0002","14.4063","0.0002","93.893","0.001","92.809","0.001","104.158","0.001","2537.34","0.07","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C47 H43 Cl2 Co F4 N13 O11 -","- C47 H43 Cl2 Co F4 N13 O11 -","- C94 H86 Cl4 Co2 F8 N26 O22 -","2","1","","Khan, Sahanwaj; Sengupta, Swaraj; Khan, Md. Adnan; Jana, Narayan Ch.; Bagh, Bidraha; Naskar, Subhendu","Electrocatalytic proton reduction by mononuclear cobalt complexes of bis(benzimidazolyl)pyridine ligands: experimental and theoretical study","New Journal of Chemistry","2025","49","37","16134","16144","10.1039/D5NJ01975C","","","1.54184","CuKα","","0.0574","0.0512","","","0.1271","0.1363","","","","","","1.059","","","","has coordinates,has disorder","302711","2025-10-06","10:09:10",""
"7063937","34.4966","0.0014","18.9116","0.0008","21.5652","0.0007","90","","101.994","0.004","90","","13761.7","0.9","298","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H63 Cl4.5 Co1.5 N15 -","- C69 H63 Cl4.5 Co1.5 N15 -","- C552 H504 Cl36 Co12 N120 -","8","1","","Khan, Sahanwaj; Sengupta, Swaraj; Khan, Md. Adnan; Jana, Narayan Ch.; Bagh, Bidraha; Naskar, Subhendu","Electrocatalytic proton reduction by mononuclear cobalt complexes of bis(benzimidazolyl)pyridine ligands: experimental and theoretical study","New Journal of Chemistry","2025","49","37","16134","16144","10.1039/D5NJ01975C","","","0.71073","MoKα","","0.1266","0.0821","","","0.2155","0.2574","","","","","","1.038","","","","has coordinates,has disorder","302711","2025-10-06","10:09:11",""
"7063938","11.5816","0.0008","14.6348","0.0017","17.7481","0.0013","87.477","0.008","76.607","0.006","70.038","0.008","2748.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H50 Cl2 N10 O12 S4 Zn -","- C46 H50 Cl2 N10 O12 S4 Zn -","- C92 H100 Cl4 N20 O24 S8 Zn2 -","2","1","","Khan, Sahanwaj; Sengupta, Swaraj; Khan, Md. Adnan; Jana, Narayan Ch.; Bagh, Bidraha; Naskar, Subhendu","Electrocatalytic proton reduction by mononuclear cobalt complexes of bis(benzimidazolyl)pyridine ligands: experimental and theoretical study","New Journal of Chemistry","2025","49","37","16134","16144","10.1039/D5NJ01975C","","","0.71073","MoKα","","0.0924","0.0716","","","0.2047","0.2321","","","","","","1.042","","","","has coordinates,has disorder","302711","2025-10-06","10:09:11",""
"7063939","8.777","0.0002","11.0093","0.0003","12.3987","0.0003","72.108","0.001","87.652","0.001","77.576","0.001","1113.02","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 Fe N2 P -","- C26 H27 Fe N2 P -","- C52 H54 Fe2 N4 P2 -","2","1","","Leitner, Zdeněk; Císařová, Ivana; Kalbáčová Vejpravová, Jana; Štěpnička, Petr","Synthesis and coordination behaviour of a protic phosphinoferrocene amidine","New Journal of Chemistry","2025","49","36","15723","15735","10.1039/D5NJ02886H","","","0.71073","MoKα","","0.0225","0.0223","","","0.0606","0.0608","","","","","","1.042","","","","has coordinates","302730","2025-10-06","10:15:58",""
"7063940","13.352","0.0004","14.786","0.0004","17.0045","0.0006","76.666","0.001","79.272","0.001","65.012","0.001","2945.79","0.16","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C117 H80 B2 Cl4 F48 Fe2 N4 P2 Pd2 -","- C117 H80 B2 Cl4 F48 Fe2 N4 P2 Pd2 -","- C117 H80 B2 Cl4 F48 Fe2 N4 P2 Pd2 -","1","0.5","","Leitner, Zdeněk; Císařová, Ivana; Kalbáčová Vejpravová, Jana; Štěpnička, Petr","Synthesis and coordination behaviour of a protic phosphinoferrocene amidine","New Journal of Chemistry","2025","49","36","15723","15735","10.1039/D5NJ02886H","","","0.71073","MoKα","","0.0343","0.0318","","","0.0766","0.0783","","","","","","1.026","","","","has coordinates","302730","2025-10-06","10:16:00",""
"7063941","11.17","0.0007","12.909","0.0007","21.5516","0.0013","84.853","0.002","83.515","0.002","67.826","0.002","2855.6","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H29 Cl4 Fe N2 P Pd -","- C27 H29 Cl4 Fe N2 P Pd -","- C108 H116 Cl16 Fe4 N8 P4 Pd4 -","4","2","","Leitner, Zdeněk; Císařová, Ivana; Kalbáčová Vejpravová, Jana; Štěpnička, Petr","Synthesis and coordination behaviour of a protic phosphinoferrocene amidine","New Journal of Chemistry","2025","49","36","15723","15735","10.1039/D5NJ02886H","","","0.71073","MoKα","","0.0306","0.0278","","","0.0587","0.0597","","","","","","1.152","","","","has coordinates","302730","2025-10-06","10:16:10",""
"7063942","18.2236","0.0013","18.5559","0.0012","22.2686","0.0014","65.785","0.002","71.268","0.002","66.738","0.002","6194.5","0.7","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H42 B2 F8 Fe N2 P2 Pd -","- C44 H42 B2 F8 Fe N2 P2 Pd -","- C264 H252 B12 F48 Fe6 N12 P12 Pd6 -","6","3","","Leitner, Zdeněk; Císařová, Ivana; Kalbáčová Vejpravová, Jana; Štěpnička, Petr","Synthesis and coordination behaviour of a protic phosphinoferrocene amidine","New Journal of Chemistry","2025","49","36","15723","15735","10.1039/D5NJ02886H","","","0.71073","MoKα","","0.0365","0.0337","","","0.0921","0.0943","","","","","","1.035","","","","has coordinates,has disorder","302730","2025-10-06","10:16:12",""
"7063943","10.4519","0.0004","14.382","0.0006","15.3656","0.0006","79.91","0.001","74.356","0.001","82.845","0.001","2182.49","0.15","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 F12 Fe N2 P4 Pd -","- C44 H42 F12 Fe N2 P4 Pd -","- C88 H84 F24 Fe2 N4 P8 Pd2 -","2","1","","Leitner, Zdeněk; Císařová, Ivana; Kalbáčová Vejpravová, Jana; Štěpnička, Petr","Synthesis and coordination behaviour of a protic phosphinoferrocene amidine","New Journal of Chemistry","2025","49","36","15723","15735","10.1039/D5NJ02886H","","","0.71073","MoKα","","0.0221","0.0212","","","0.0525","0.053","","","","","","1.044","","","","has coordinates,has disorder","302730","2025-10-06","10:16:16",""
"7063944","13.2784","0.0003","11.1432","0.0003","17.1037","0.0004","90","","94.503","0.001","90","","2522.92","0.11","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cl Fe N2 P Pd -","- C27 H30 Cl Fe N2 P Pd -","- C108 H120 Cl4 Fe4 N8 P4 Pd4 -","4","1","","Leitner, Zdeněk; Císařová, Ivana; Kalbáčová Vejpravová, Jana; Štěpnička, Petr","Synthesis and coordination behaviour of a protic phosphinoferrocene amidine","New Journal of Chemistry","2025","49","36","15723","15735","10.1039/D5NJ02886H","","","0.71073","MoKα","","0.0265","0.0254","","","0.0642","0.0649","","","","","","1.056","","","","has coordinates","302730","2025-10-06","10:16:16",""
"7063945","9.1189","0.0005","24.8822","0.0011","11.6949","0.0006","90","","111.157","0.0016","90","","2474.7","0.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Cl2 Fe N2 Ni P -","- C26 H27 Cl2 Fe N2 Ni P -","- C104 H108 Cl8 Fe4 N8 Ni4 P4 -","4","1","","Leitner, Zdeněk; Císařová, Ivana; Kalbáčová Vejpravová, Jana; Štěpnička, Petr","Synthesis and coordination behaviour of a protic phosphinoferrocene amidine","New Journal of Chemistry","2025","49","36","15723","15735","10.1039/D5NJ02886H","","","0.71073","MoKα","","0.0293","0.029","","","0.0683","0.0684","","","","","","1.2","","","","has coordinates","302730","2025-10-06","10:16:16",""
"7063946","11.1097","0.0004","12.7025","0.0005","22.0182","0.0008","85.564","0.001","88.026","0.001","68.879","0.001","2889.74","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H29 Cl4 Fe N2 P Pt -","- C27 H29 Cl4 Fe N2 P Pt -","- C108 H116 Cl16 Fe4 N8 P4 Pt4 -","4","2","","Leitner, Zdeněk; Císařová, Ivana; Kalbáčová Vejpravová, Jana; Štěpnička, Petr","Synthesis and coordination behaviour of a protic phosphinoferrocene amidine","New Journal of Chemistry","2025","49","36","15723","15735","10.1039/D5NJ02886H","","","0.71073","MoKα","","0.0155","0.015","","","0.0343","0.0345","","","","","","1.081","","","","has coordinates","302730","2025-10-06","10:16:17",""
"7063947","12.5908","0.0004","14.5638","0.0005","30.1278","0.0009","90","","93.969","0.001","90","","5511.3","0.3","120","2","120","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C53 H56 B Cl5 F4 Fe2 N4 P2 Pd2 -","- C53 H56 B Cl5 F4 Fe2 N4 P2 Pd2 -","- C212 H224 B4 Cl20 F16 Fe8 N16 P8 Pd8 -","4","1","","Leitner, Zdeněk; Císařová, Ivana; Kalbáčová Vejpravová, Jana; Štěpnička, Petr","Synthesis and coordination behaviour of a protic phosphinoferrocene amidine","New Journal of Chemistry","2025","49","36","15723","15735","10.1039/D5NJ02886H","","","1.54178","CuKα","","0.0236","0.0223","","","0.0539","0.0548","","","","","","1.048","","","","has coordinates","302730","2025-10-06","10:16:17",""
"7063948","8.5316","0.0003","9.243","0.0003","18.3287","0.0006","88.762","0.001","86.497","0.001","64.448","0.001","1301.54","0.08","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H29 Fe N2 O3 P Pd -","- C30 H29 Fe N2 O3 P Pd -","- C60 H58 Fe2 N4 O6 P2 Pd2 -","2","1","","Leitner, Zdeněk; Císařová, Ivana; Kalbáčová Vejpravová, Jana; Štěpnička, Petr","Synthesis and coordination behaviour of a protic phosphinoferrocene amidine","New Journal of Chemistry","2025","49","36","15723","15735","10.1039/D5NJ02886H","","","0.71073","MoKα","","0.0166","0.0164","","","0.0408","0.0409","","","","","","1.082","","","","has coordinates","302730","2025-10-06","10:16:17",""
"7063949","15.30926","0.00013","15.86213","0.0001","16.43388","0.00013","69.0631","0.0007","78.1859","0.0007","71.2137","0.0007","3510.52","0.05","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C47 H59 B Cl2 F2 N12 O4 P2 S2 -","- C47 H59 B Cl2 F2 N12 O4 P2 S2 -","- C94 H118 B2 Cl4 F4 N24 O8 P4 S4 -","2","1","","Uvarov, Denis Y.; Lesnikov, Vladislav K.; Golovanov, Ivan S.; Burikov, Sergey A.; Salnikova, Diana I.; Scherbakov, Alexander M.; Zavarzin, Igor V.; Volkova, Yulia A.","Effects of phosphorus(V)-substituted 1,3,4-thiadiazoles on the electronic properties of BODIPY fluorophores","New Journal of Chemistry","2025","49","36","15885","15894","10.1039/D5NJ01910A","","x-ray","1.54184","CuKα","","0.0359","0.035","","","0.0978","0.0985","","","","","","1.028","","","","has coordinates,has disorder","302731","2025-10-06","10:16:32",""
"7063950","10.4277","0.0018","12.208","0.002","14.862","0.003","106.349","0.004","103.089","0.005","102.213","0.005","1689.8","0.5","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H36 Br Cl N O P -","- C35 H36 Br Cl N O P -","- C70 H72 Br2 Cl2 N2 O2 P2 -","2","1","","Rizbayeva, Tanzilya; Smolobochkin, Andrey; Gazizov, Almir; Babaeva, Olga; Lyubina, Anna; Sapunova, Anastasiia; Voloshina, Alexandra; Gerasimova, Daria; Burilov, Alexander; Pudovik, Michail","Diastereospecific cyclization of 3-arylidene-1-pyrrolinium salts containing an alkyltriarylphosphonium fragment: a path to the synthesis of new pyrrolizidine derivatives","New Journal of Chemistry","2025","49","34","14718","14727","10.1039/D5NJ02552D","","x-ray","0.71073","MoKα","","0.0465","0.0377","","","0.0983","0.103","","","","","","1.05","","","","has coordinates,has disorder","302736","2025-10-06","10:17:41",""
"7063951","9.3083","0.0011","10.0808","0.0013","14.0403","0.0016","92.334","0.004","99.211","0.004","90.963","0.004","1299","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H31 Br N O P -","- C32 H31 Br N O P -","- C64 H62 Br2 N2 O2 P2 -","2","1","","Rizbayeva, Tanzilya; Smolobochkin, Andrey; Gazizov, Almir; Babaeva, Olga; Lyubina, Anna; Sapunova, Anastasiia; Voloshina, Alexandra; Gerasimova, Daria; Burilov, Alexander; Pudovik, Michail","Diastereospecific cyclization of 3-arylidene-1-pyrrolinium salts containing an alkyltriarylphosphonium fragment: a path to the synthesis of new pyrrolizidine derivatives","New Journal of Chemistry","2025","49","34","14718","14727","10.1039/D5NJ02552D","","x-ray","0.71073","MoKα","","0.0524","0.044","","","0.1061","0.11","","","","","","1.076","","","","has coordinates","302736","2025-10-06","10:17:43",""
"7063952","10.1637","0.0016","12.469","0.002","12.797","0.002","89.44","0.005","81.175","0.005","89.843","0.005","1602.5","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H35 Br N P -","- C34 H35 Br N P -","- C68 H70 Br2 N2 P2 -","2","1","","Rizbayeva, Tanzilya; Smolobochkin, Andrey; Gazizov, Almir; Babaeva, Olga; Lyubina, Anna; Sapunova, Anastasiia; Voloshina, Alexandra; Gerasimova, Daria; Burilov, Alexander; Pudovik, Michail","Diastereospecific cyclization of 3-arylidene-1-pyrrolinium salts containing an alkyltriarylphosphonium fragment: a path to the synthesis of new pyrrolizidine derivatives","New Journal of Chemistry","2025","49","34","14718","14727","10.1039/D5NJ02552D","","x-ray","0.71073","MoKα","","0.0275","0.0259","","","0.0712","0.0724","","","","","","1.054","","","","has coordinates","302736","2025-10-06","10:17:43",""
"7063953","17.571","0.004","10.295","0.002","34.089","0.007","90","","90","","90","","6166","2","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H40 Br N O2.5 P -","- C35 H40 Br N O2.5 P -","- C280 H320 Br8 N8 O20 P8 -","8","2","","Rizbayeva, Tanzilya; Smolobochkin, Andrey; Gazizov, Almir; Babaeva, Olga; Lyubina, Anna; Sapunova, Anastasiia; Voloshina, Alexandra; Gerasimova, Daria; Burilov, Alexander; Pudovik, Michail","Diastereospecific cyclization of 3-arylidene-1-pyrrolinium salts containing an alkyltriarylphosphonium fragment: a path to the synthesis of new pyrrolizidine derivatives","New Journal of Chemistry","2025","49","34","14718","14727","10.1039/D5NJ02552D","","x-ray","0.71073","MoKα","","0.1002","0.0871","","","0.2213","0.2296","","","","","","1.137","","","","has coordinates","302736","2025-10-06","10:17:43",""
"7063954","10.348","0.002","12.478","0.003","12.502","0.002","79.652","0.007","79.737","0.006","66.268","0.008","1443.7","0.5","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 Br N P -","- C33 H33 Br N P -","- C66 H66 Br2 N2 P2 -","2","1","","Rizbayeva, Tanzilya; Smolobochkin, Andrey; Gazizov, Almir; Babaeva, Olga; Lyubina, Anna; Sapunova, Anastasiia; Voloshina, Alexandra; Gerasimova, Daria; Burilov, Alexander; Pudovik, Michail","Diastereospecific cyclization of 3-arylidene-1-pyrrolinium salts containing an alkyltriarylphosphonium fragment: a path to the synthesis of new pyrrolizidine derivatives","New Journal of Chemistry","2025","49","34","14718","14727","10.1039/D5NJ02552D","","x-ray","0.71073","MoKα","","0.1181","0.0699","","","0.1333","0.1571","","","","","","1.054","","","","has coordinates","302736","2025-10-06","10:17:43",""
"7063955","10.3779","0.0009","10.5708","0.0009","12.0914","0.001","100.359","0.003","100.978","0.003","94.158","0.003","1273.11","0.19","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Br N P S -","- C30 H29 Br N P S -","- C60 H58 Br2 N2 P2 S2 -","2","1","","Rizbayeva, Tanzilya; Smolobochkin, Andrey; Gazizov, Almir; Babaeva, Olga; Lyubina, Anna; Sapunova, Anastasiia; Voloshina, Alexandra; Gerasimova, Daria; Burilov, Alexander; Pudovik, Michail","Diastereospecific cyclization of 3-arylidene-1-pyrrolinium salts containing an alkyltriarylphosphonium fragment: a path to the synthesis of new pyrrolizidine derivatives","New Journal of Chemistry","2025","49","34","14718","14727","10.1039/D5NJ02552D","","x-ray","0.71073","MoKα","","0.0292","0.0253","","","0.0609","0.0626","","","","","","1.036","","","","has coordinates,has disorder","302736","2025-10-06","10:17:43",""
"7063956","10.376","0.002","12.439","0.003","14.218","0.003","67.137","0.007","73.761","0.007","79.434","0.007","1617.6","0.6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Br F N P -","- C32 H30 Br F N P -","- C64 H60 Br2 F2 N2 P2 -","2","1","","Rizbayeva, Tanzilya; Smolobochkin, Andrey; Gazizov, Almir; Babaeva, Olga; Lyubina, Anna; Sapunova, Anastasiia; Voloshina, Alexandra; Gerasimova, Daria; Burilov, Alexander; Pudovik, Michail","Diastereospecific cyclization of 3-arylidene-1-pyrrolinium salts containing an alkyltriarylphosphonium fragment: a path to the synthesis of new pyrrolizidine derivatives","New Journal of Chemistry","2025","49","34","14718","14727","10.1039/D5NJ02552D","","x-ray","0.71073","MoKα","","0.127","0.114","","","0.2768","0.2846","","","","","","1.099","","","","has coordinates","302736","2025-10-06","10:17:43",""
"7063957","10.2729","0.001","12.6463","0.0014","12.7632","0.0012","90.187","0.004","98.461","0.004","90.335","0.004","1640","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H43 Br N O P -","- C38 H43 Br N O P -","- C76 H86 Br2 N2 O2 P2 -","2","1","","Rizbayeva, Tanzilya; Smolobochkin, Andrey; Gazizov, Almir; Babaeva, Olga; Lyubina, Anna; Sapunova, Anastasiia; Voloshina, Alexandra; Gerasimova, Daria; Burilov, Alexander; Pudovik, Michail","Diastereospecific cyclization of 3-arylidene-1-pyrrolinium salts containing an alkyltriarylphosphonium fragment: a path to the synthesis of new pyrrolizidine derivatives","New Journal of Chemistry","2025","49","34","14718","14727","10.1039/D5NJ02552D","","x-ray","0.71073","MoKα","","0.0342","0.0315","","","0.0788","0.0804","","","","","","1.029","","","","has coordinates","302736","2025-10-06","10:17:43",""
"7063958","10.305","0.0004","17.3919","0.0007","21.4516","0.0013","99.944","0.002","92.981","0.002","106.741","0.002","3605.2","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H47 Br N O3 P -","- C40 H47 Br N O3 P -","- C160 H188 Br4 N4 O12 P4 -","4","2","","Rizbayeva, Tanzilya; Smolobochkin, Andrey; Gazizov, Almir; Babaeva, Olga; Lyubina, Anna; Sapunova, Anastasiia; Voloshina, Alexandra; Gerasimova, Daria; Burilov, Alexander; Pudovik, Michail","Diastereospecific cyclization of 3-arylidene-1-pyrrolinium salts containing an alkyltriarylphosphonium fragment: a path to the synthesis of new pyrrolizidine derivatives","New Journal of Chemistry","2025","49","34","14718","14727","10.1039/D5NJ02552D","","x-ray","0.71073","MoKα","","0.0696","0.0466","","","0.1068","0.1168","","","","","","1.017","","","","has coordinates","302736","2025-10-06","10:17:43",""
"7063959","22.2881","0.0005","9.303","0.0002","25.0735","0.0005","90","","93.118","0.002","90","","5191.2","0.19","200","0.1","200","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C55 H35 Br4 Cl3 N2 O6 S2 -","- C55 H35 Br4 Cl3 N2 O6 S2 -","- C220 H140 Br16 Cl12 N8 O24 S8 -","4","0.5","","Youssef, Khaled; Allain, Magali; Cougnon, Charles; Levillain, Eric; Melville, Hayley; Sanguinet, Lionel; Gohier, Frédéric","Investigating the impact of substitution on the optoelectronic properties of benzothiophenone S,S-dioxide","New Journal of Chemistry","2025","49","35","15096","15104","10.1039/D5NJ02518D","","","1.54184","CuKα","","0.0523","0.0494","","","0.1359","0.1392","","","","","","1.034","","","","has coordinates,has disorder","302733","2025-10-06","10:16:49",""
"7063960","6.6893","0.0002","8.732","0.0003","21.3446","0.0007","84.892","0.003","87.066","0.003","87.26","0.003","1239.01","0.07","200","0.1","200","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C55 H31 Br4 Cl3 N2 O6 S2 -","- C54 H30 Br4 N2 O6 S2 -","- C54 H30 Br4 N2 O6 S2 -","1","0.5","","Youssef, Khaled; Allain, Magali; Cougnon, Charles; Levillain, Eric; Melville, Hayley; Sanguinet, Lionel; Gohier, Frédéric","Investigating the impact of substitution on the optoelectronic properties of benzothiophenone S,S-dioxide","New Journal of Chemistry","2025","49","35","15096","15104","10.1039/D5NJ02518D","","","1.54184","CuKα","","0.0429","0.04","","","0.1073","0.1112","","","","","","1.034","","","","has coordinates","302733","2025-10-06","10:16:50",""
"7063961","14.9567","0.0006","8.5775","0.0005","10.1447","0.0004","90","","95.546","0.004","90","","1295.38","0.11","293","2","293","","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N4 S -","- C13 H12 N4 S -","- C52 H48 N16 S4 -","4","1","","Singh, Gurjaspreet; Sushma,; Kaur, Harshbir; Dalal, Anurag; Sahoo, Subash Chandra; Singh, Jandeep; George, Nancy; Esteban, Maria Angeles; Espinosa-Ruíz, Cristóbal","‘Click’ generated indole appended thiosemicarbazone–triazole cojoined organosilane: a sensor for the recognition of Hg2+ ions, in silico docking and in vitro cytotoxic evaluation","New Journal of Chemistry","2025","49","37","16056","16069","10.1039/D5NJ02083B","","x-ray","0.71073","MoKα","","0.0789","0.0571","","","0.1606","0.1779","","","","","","1.0279","","","","has coordinates","302713","2025-10-06","10:09:38",""
"7063962","9.0461","0.0002","8.2689","0.0002","11.643","0.0003","90","","100.671","0.003","90","","855.85","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 N O5 Zn -","- C8 H7 N O5 Zn -","- C32 H28 N4 O20 Zn4 -","4","1","","Basree,; Ali, Arif; Sepay, Nayim; Nayak, Ganesh Chandra; Siddiqui, Kafeel Ahmad; Ahmad, Musheer","DFT-assisted investigation of a 2D Zn(ii)-based coordination polymer, and its composite for supercapacitor and sensor uses","New Journal of Chemistry","2025","49","35","15105","15118","10.1039/D5NJ01894C","","","0.71073","MoKα","","0.0364","0.0295","","","0.0715","0.0741","","","","","","1.0305","","","","has coordinates","302732","2025-10-06","10:16:39",""
"7063963","10.0508","0.0003","11.1737","0.0005","12.3818","0.0003","102.72","0.003","91.193","0.002","97.12","0.003","1344.28","0.08","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 Cl4 Cu4 N16 O7 -","- C52 H36 Cl4 Cu4 N16 O7 -","- C52 H36 Cl4 Cu4 N16 O7 -","1","0.5","","Kawano, Miku; Wu, Ying-Ying; Li, Zhao-Yang; Mishima, Akio; Kawata, Satoshi; Ishikawa, Ryuta","Magnetic superexchange couplings in doubly bis(2-pyridyl)pyrazolato-bridged dinuclear copper(ii) complexes","New Journal of Chemistry","2025","49","36","15691","15699","10.1039/D5NJ02006A","","","0.71075","MoKα","","0.0457","0.0356","","","0.0927","0.0959","","","","","","1.094","","","","has coordinates","302729","2025-10-06","10:15:29",""
"7063964","9.6034","0.0004","21.4059","0.001","18.5722","0.0008","90.011","0.002","99.672","0.002","89.998","0.002","3763.6","0.3","141","","141","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C200 H144 N16 O8 -","8","4","","Santra, Souvik; Guchhait, Nikhil","Substituent effect on the solvatochromic behaviour of benzoimidazole based donor–acceptor type fluorescent molecules","New Journal of Chemistry","2025","49","37","16256","16270","10.1039/D5NJ02580J","","x-ray","0.71073","MoKα","","0.0897","0.0619","","","0.1397","0.1594","","","","","","1.064","","","","has coordinates","302710","2025-10-06","10:08:52",""
"7063965","10.3689","0.0005","10.5578","0.0006","12.0948","0.0007","92.824","0.002","111.322","0.002","95.348","0.002","1223.11","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N3 O2 -","- C30 H27 N3 O2 -","- C60 H54 N6 O4 -","2","1","","Santra, Souvik; Guchhait, Nikhil","Substituent effect on the solvatochromic behaviour of benzoimidazole based donor–acceptor type fluorescent molecules","New Journal of Chemistry","2025","49","37","16256","16270","10.1039/D5NJ02580J","","","0.71073","MoKα","","0.1851","0.0771","","","0.1782","0.2525","","","","","","1.042","","","","has coordinates","302710","2025-10-06","10:08:53",""
"7063966","6.4775","0.0002","11.0809","0.0003","18.6254","0.0006","75.642","0.001","82.696","0.001","84.674","0.001","1281.98","0.07","199.99","","199.99","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H18 F3 N S2 -","- C34 H18 F3 N S2 -","- C68 H36 F6 N2 S4 -","2","1","","Liang, Shan; Li, Jialin; Lin, Jieyu; Liu, Wei; Na, Zhenkai; Chen, Junru; Zeng, Chongyang; Feng, Xing","Aromatic heterocyclic π-bridge engineering for broad-color tunable and stimuli-responsive pyrene-based AIEgens","New Journal of Chemistry","2025","49","38","16764","16772","10.1039/D5NJ02802G","","","0.71073","MoKα","","0.1141","0.0662","","","0.1238","0.1604","","","","","","1.028","","","","has coordinates,has disorder","302740","2025-10-06","10:18:43",""
"7063967","11.7995","0.0004","18.6988","0.0007","14.202","0.0005","90","","94.0741","0.0012","90","","3125.56","0.19","150","2","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H36 N2 O4 -","- C39 H36 N2 O4 -","- C156 H144 N8 O16 -","4","1","","Chen, Silu; Ma, Lan; Yue, Chao; Du, Biao; Lu, Cuifen; Long, Chunyan; Wu, Wanbing; Li, Sicheng; He, Qiao; Yue, Guizhou","Base-controlled diastereoselective [3+2]-cycloaddition and Michael addition of isatin ketonitrones and chalcones to construct spiropyrrolidine oxoindoles and γ-substituted isatin ketonitrones","New Journal of Chemistry","2025","49","39","16978","16988","10.1039/D5NJ02378E","","","0.71073","MoKα","","0.051","0.0442","","","0.1065","0.1122","","","","","","1.013","","","","has coordinates","303878","2025-11-29","21:45:09",""
"7063968","12.539","0.0015","14.6451","0.0017","19.265","0.002","70.206","0.004","89.215","0.004","73.626","0.004","3180.6","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H29 Br N2 O3 -","- C37 H29 Br N2 O3 -","- C148 H116 Br4 N8 O12 -","4","2","","Chen, Silu; Ma, Lan; Yue, Chao; Du, Biao; Lu, Cuifen; Long, Chunyan; Wu, Wanbing; Li, Sicheng; He, Qiao; Yue, Guizhou","Base-controlled diastereoselective [3+2]-cycloaddition and Michael addition of isatin ketonitrones and chalcones to construct spiropyrrolidine oxoindoles and γ-substituted isatin ketonitrones","New Journal of Chemistry","2025","49","39","16978","16988","10.1039/D5NJ02378E","","","0.71073","MoKα","","0.0484","0.0406","","","0.1133","0.1199","","","","","","1.073","","","","has coordinates","303878","2025-11-29","21:45:10",""
"7063969","9.839","0.0004","10.9281","0.0005","13.4307","0.0006","111.013","0.002","91.816","0.002","109.59","0.002","1250.93","0.1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","(2Z,2'Z)-2,2'-(1H,1'H-spiro[pyrrolo[1,2-c]thiazole-3,3'-thiazolo[3,4-a]indole]-1,1'-diylidene)bis(1-phenylethan-1-one)","","- C31 H20 N2 O2 S2 -","- C31 H20 N2 O2 S2 -","- C62 H40 N4 O4 S4 -","2","1","","Tomilin, Denis N.; Stepanova, Sophia A.; Borodina, Tatyana N.; Ushakov, Igor A.; Trofimov, Boris A.","Synthesis of functionalized thiazoloindole-3-thiones and their spirocongeners from 2-acylethynyl-4,5,6,7-tetrahydroindoles and carbon disulfide","New Journal of Chemistry","2025","49","38","16820","16827","10.1039/D5NJ02380G","","","1.54178","CuKα","","0.048","0.0378","","","0.0928","0.0991","","","","","","1.035","","","","has coordinates","302739","2025-10-06","10:18:34",""
"7063970","8.8295","0.0007","9.3887","0.0008","12.4254","0.0011","69.679","0.003","88.609","0.003","85.821","0.003","963.36","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","dimethyl 2-(1,3-dimethoxy-1,3-dioxopropan-2-yl)-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrole-2,4-dicarboxylate","","- C19 H19 N O9 -","- C19 H19 N O9 -","- C38 H38 N2 O18 -","2","1","","Pradhan, Priyankar; Shaikh Sumaiya, A.; Jagadeesh Babu, N.; Sudhakar, Gangarajula","Cascade reaction of 2-bromo-2H-azirine-2-carboxylate with malonic esters: facile access to highly substituted pyrrolinones","New Journal of Chemistry","2025","49","36","15573","15577","10.1039/D5NJ02356D","","","0.71073","MoKα","","0.1082","0.073","","","0.2087","0.2366","","","","","","1.068","","","","has coordinates,has disorder","302728","2025-10-06","10:15:21",""
"7063971","14.616","0.004","11.71","0.003","15.622","0.004","90","","115.853","0.008","90","","2406.2","1.1","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-benzyl 4-methyl 3-(benzyloxy)-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrole-3,4-dicarboxylate","","- C27 H23 N O6 -","- C27 H23 N O6 -","- C108 H92 N4 O24 -","4","1","","Pradhan, Priyankar; Shaikh Sumaiya, A.; Jagadeesh Babu, N.; Sudhakar, Gangarajula","Cascade reaction of 2-bromo-2H-azirine-2-carboxylate with malonic esters: facile access to highly substituted pyrrolinones","New Journal of Chemistry","2025","49","36","15573","15577","10.1039/D5NJ02356D","","","0.71073","MoKα","","0.0749","0.0502","","","0.1375","0.16","","","","","","1.029","","","","has coordinates,has disorder","302728","2025-10-06","10:15:22",""
"7063972","4.6357","0.0001","13.241","0.0002","19.5183","0.0003","90","","93.488","0.001","90","","1195.84","0.04","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-((Z)-(2-methyl-4-nitro-phenylimino)methyl)phenol","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Enamullah, Mohammed; Haque, Imdadul; Abdullah, Galib; Sourav, Fahad Hossain; Jhumur, Nisat Taslum; Islam, Mohammad Khairul; Haj Hassani Sohi, Takin; Ferber, Peter; Janiak, Christoph","Dinuclear vs. mononuclear copper(ii) complexes with nitrophenylimino-benzylal- vs. -naphthylal-based Schiff base ligands","New Journal of Chemistry","2025","49","39","17106","17123","10.1039/D5NJ02584B","","","1.54184","CuKα","","0.0405","0.0383","","","0.1075","0.1114","","","","","","1.068","","","","has coordinates","303875","2025-11-29","21:44:36",""
"7063973","6.9732","0.0002","12.8165","0.0003","15.7069","0.0004","90","","97.887","0.002","90","","1390.48","0.06","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-((Z)-(2-methyl-4-nitro-phenylimino)methyl)naphthalen-2-ol","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Enamullah, Mohammed; Haque, Imdadul; Abdullah, Galib; Sourav, Fahad Hossain; Jhumur, Nisat Taslum; Islam, Mohammad Khairul; Haj Hassani Sohi, Takin; Ferber, Peter; Janiak, Christoph","Dinuclear vs. mononuclear copper(ii) complexes with nitrophenylimino-benzylal- vs. -naphthylal-based Schiff base ligands","New Journal of Chemistry","2025","49","39","17106","17123","10.1039/D5NJ02584B","","x-ray","1.54184","CuKα","","0.0542","0.0496","","","0.1464","0.1486","","","","","","1.13","","","","has coordinates","303875","2025-11-29","21:44:37",""
"7063974","6.8594","0.0002","13.105","0.0004","16.0708","0.0005","90","","101.446","0.003","90","","1415.91","0.08","199.98","0.1","199.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-((Z)-(4-methyl-2-nitro-phenylimino)methyl)naphthalen-2-ol","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Enamullah, Mohammed; Haque, Imdadul; Abdullah, Galib; Sourav, Fahad Hossain; Jhumur, Nisat Taslum; Islam, Mohammad Khairul; Haj Hassani Sohi, Takin; Ferber, Peter; Janiak, Christoph","Dinuclear vs. mononuclear copper(ii) complexes with nitrophenylimino-benzylal- vs. -naphthylal-based Schiff base ligands","New Journal of Chemistry","2025","49","39","17106","17123","10.1039/D5NJ02584B","","x-ray","1.54184","CuKα","","0.0545","0.0426","","","0.1117","0.1182","","","","","","1.054","","","","has coordinates","303875","2025-11-29","21:44:37",""
"7063975","10.6103","0.0002","11.1734","0.0002","12.9695","0.0003","90","","108.211","0.003","90","","1460.56","0.06","299.17","0.1","299.17","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis{1-((Z)-(4-methyl-2-nitro-phenylimino)methyl))naphthalen-2-olato-κ^2^N,O}copper(II)","","- C36 H26 Cu N4 O6 -","- C36 H26 Cu N4 O6 -","- C72 H52 Cu2 N8 O12 -","2","0.5","","Enamullah, Mohammed; Haque, Imdadul; Abdullah, Galib; Sourav, Fahad Hossain; Jhumur, Nisat Taslum; Islam, Mohammad Khairul; Haj Hassani Sohi, Takin; Ferber, Peter; Janiak, Christoph","Dinuclear vs. mononuclear copper(ii) complexes with nitrophenylimino-benzylal- vs. -naphthylal-based Schiff base ligands","New Journal of Chemistry","2025","49","39","17106","17123","10.1039/D5NJ02584B","","x-ray","1.54184","CuKα","","0.0414","0.036","","","0.0982","0.1031","","","","","","1.064","","","","has coordinates","303875","2025-11-29","21:44:37",""
"7063976","13.8495","0.0002","19.678","0.0003","20.54938","0.00019","106.137","0.001","98.9681","0.0011","102.755","0.0012","5103.9","0.13","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","Bis{2-((Z)-(2-methyl-4-nitro-phenylimino)methyl)phenolato-κ^2^N,O}copper(II)","","- C56 H44 Cu2 N8 O12 -","- C56 H44 Cu2 N8 O12 -","- C224 H176 Cu8 N32 O48 -","4","2","","Enamullah, Mohammed; Haque, Imdadul; Abdullah, Galib; Sourav, Fahad Hossain; Jhumur, Nisat Taslum; Islam, Mohammad Khairul; Haj Hassani Sohi, Takin; Ferber, Peter; Janiak, Christoph","Dinuclear vs. mononuclear copper(ii) complexes with nitrophenylimino-benzylal- vs. -naphthylal-based Schiff base ligands","New Journal of Chemistry","2025","49","39","17106","17123","10.1039/D5NJ02584B","","x-ray","1.54184","CuKα","","0.0431","0.0387","","","0.1051","0.1079","","","","","","1.059","","","","has coordinates","303875","2025-11-29","21:44:37",""
"7063977","8.0589","0.0002","9.5041","0.0003","9.9284","0.0003","73.915","0.001","83.529","0.001","86.707","0.001","725.74","0.04","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Cl Cu N3 -","- C15 H15 Cl Cu N3 -","- C30 H30 Cl2 Cu2 N6 -","2","1","","Tao, Sheng; Du, Zhi-Hong; Bo, Chun-Bo; Li, Min; Chen, Fei; Liu, Ning","Base-free catalytic systems achieved via the design of copper complexes: synthesis of 2-oxazolidinones from propargylic amines and CO2","New Journal of Chemistry","2025","49","37","16122","16133","10.1039/D5NJ02766G","","","0.71073","MoKα","","0.0229","0.0218","","","0.0561","0.0568","","","","","","1.063","","","","has coordinates","302712","2025-10-06","10:09:29",""
"7063978","9.5552","0.0007","9.6313","0.0008","9.6771","0.0008","115.701","0.005","98.853","0.005","91.448","0.005","788.66","0.12","300","2","300","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl Cu N2 -","- C16 H16 Cl Cu N2 -","- C32 H32 Cl2 Cu2 N4 -","2","1","","Tao, Sheng; Du, Zhi-Hong; Bo, Chun-Bo; Li, Min; Chen, Fei; Liu, Ning","Base-free catalytic systems achieved via the design of copper complexes: synthesis of 2-oxazolidinones from propargylic amines and CO2","New Journal of Chemistry","2025","49","37","16122","16133","10.1039/D5NJ02766G","","","1.54178","CuKα","","0.0938","0.0605","","","0.1514","0.1803","","","","","","1.085","","","","has coordinates","302712","2025-10-06","10:09:29",""
"7063979","10.119","0.002","9.0203","0.0017","16.587","0.004","90","","95.181","0.007","90","","1507.8","0.5","273.15","","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br Cl Cu N2 O -","- C14 H12 Br Cl Cu N2 O -","- C56 H48 Br4 Cl4 Cu4 N8 O4 -","4","1","","Pattanayak, Satyajit; Sarkar, Tuhin; Maity, Ribhu; Das, Priyanka; Brandao, Paula; Maity, Tithi; Sarkar, Keka; Samanta, Bidhan Chandra","Biophysical characterization of centrosymmetric doubly bridged Cu(ii) complexes: comparative DNA/BSA binding and potential applications","New Journal of Chemistry","2025","49","38","16849","16862","10.1039/D5NJ01809A","","","0.71073","MoKα","","0.0292","0.0263","","","0.0675","0.0696","","","","","","1.06","","","","has coordinates","302742","2025-10-06","10:19:28",""
"7063980","9.9841","0.0006","9.0147","0.0005","16.5122","0.001","90","","95.9965","0.0018","90","","1478.03","0.15","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl4 Cu2 N4 O2 -","- C28 H24 Cl4 Cu2 N4 O2 -","- C56 H48 Cl8 Cu4 N8 O4 -","2","0.5","","Pattanayak, Satyajit; Sarkar, Tuhin; Maity, Ribhu; Das, Priyanka; Brandao, Paula; Maity, Tithi; Sarkar, Keka; Samanta, Bidhan Chandra","Biophysical characterization of centrosymmetric doubly bridged Cu(ii) complexes: comparative DNA/BSA binding and potential applications","New Journal of Chemistry","2025","49","38","16849","16862","10.1039/D5NJ01809A","","","0.71073","MoKα","","0.0266","0.0244","","","0.0679","0.0699","","","","","","1.032","","","","has coordinates","302742","2025-10-06","10:19:39",""
"7063981","7.611","0.0002","9.8752","0.0003","12.4976","0.0003","90","","90","","90","","939.32","0.04","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Cu N Na O7 -","- C6 H8 Cu N Na O7 -","- C24 H32 Cu4 N4 Na4 O28 -","4","1","","Sharma, Sahil; Rohilla, Jyoti; Thakur, Sahil; Singh, Raghubir; Kaur, Varinder","Silver anchored Cu–Na and Co–Na atrane MOFs as photocatalysts for the visible-light-driven degradation and decolourization of a hydroxyanthraquinone dye","New Journal of Chemistry","2025","49","37","16213","16225","10.1039/D5NJ02361K","","x-ray","0.71073","MoKα","","0.0325","0.0296","","","0.0711","0.0728","","","","","","1.036","","","","has coordinates","302714","2025-10-06","10:10:06",""
"7063982","7.9499","0.0004","9.7468","0.0004","12.2008","0.0005","90","","90","","90","","945.39","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Co N Na O7 -","- C6 H8 Co N Na O7 -","- C24 H32 Co4 N4 Na4 O28 -","4","1","","Sharma, Sahil; Rohilla, Jyoti; Thakur, Sahil; Singh, Raghubir; Kaur, Varinder","Silver anchored Cu–Na and Co–Na atrane MOFs as photocatalysts for the visible-light-driven degradation and decolourization of a hydroxyanthraquinone dye","New Journal of Chemistry","2025","49","37","16213","16225","10.1039/D5NJ02361K","","x-ray","0.71073","MoKα","","0.0615","0.0501","","","0.1211","0.1282","","","","","","1.049","","","","has coordinates","302714","2025-10-06","10:10:08",""
"7063983","24.1231","0.001","19.009","0.0008","10.625","0.0004","90","","90","","90","","4872.2","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C52 H64 Dy N4 O6 P -","- C52 H64 Dy N4 O6 P -","- C208 H256 Dy4 N16 O24 P4 -","4","1","","Kammereck, Stefanie; Bousrez, Guillaume; Renier, Olivier; Paterlini, Veronica; Smetana, Volodymyr; Mudring, Anja-Verena","Crystal chemistry and luminescence properties of tetrabutylphosphonium tetrakis(8-quinolinato)lanthanidate [P4444][Ln(Q)4]·2X (X = H2O and (CH3)2CO)","New Journal of Chemistry","2025","49","38","16493","16500","10.1039/D4NJ03697B","","","0.71073","MoKα","","0.0431","0.0344","","","0.0712","0.0748","","","","","","1.044","","","","has coordinates,has disorder","302741","2025-10-06","10:19:07",""
"7063984","24.0475","0.0007","18.9425","0.0006","10.6047","0.0003","90","","90","","90","","4830.7","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C52 H64 Ho N4 O6 P -","- C52 H64 Ho N4 O6 P -","- C208 H256 Ho4 N16 O24 P4 -","4","1","","Kammereck, Stefanie; Bousrez, Guillaume; Renier, Olivier; Paterlini, Veronica; Smetana, Volodymyr; Mudring, Anja-Verena","Crystal chemistry and luminescence properties of tetrabutylphosphonium tetrakis(8-quinolinato)lanthanidate [P4444][Ln(Q)4]·2X (X = H2O and (CH3)2CO)","New Journal of Chemistry","2025","49","38","16493","16500","10.1039/D4NJ03697B","","","0.71073","MoKα","","0.075","0.0488","","","0.0636","0.0689","","","","","","1.123","","","","has coordinates,has disorder","302741","2025-10-06","10:19:08",""
"7063985","24.0667","0.001","18.9289","0.0008","10.6019","0.0004","90","","90","","90","","4829.8","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C52 H64 N4 O6 P Y -","- C52 H64 N4 O6 P Y -","- C208 H256 N16 O24 P4 Y4 -","4","1","","Kammereck, Stefanie; Bousrez, Guillaume; Renier, Olivier; Paterlini, Veronica; Smetana, Volodymyr; Mudring, Anja-Verena","Crystal chemistry and luminescence properties of tetrabutylphosphonium tetrakis(8-quinolinato)lanthanidate [P4444][Ln(Q)4]·2X (X = H2O and (CH3)2CO)","New Journal of Chemistry","2025","49","38","16493","16500","10.1039/D4NJ03697B","","","0.71073","MoKα","","0.0368","0.0301","","","0.0716","0.0746","","","","","","1.04","","","","has coordinates,has disorder","302741","2025-10-06","10:19:08",""
"7063986","24.138","0.001","18.9614","0.0008","10.6117","0.0004","90","","90","","90","","4856.9","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C52 H64 N4 O6 P Tm -","- C52 H64 N4 O6 P Tm -","- C208 H256 N16 O24 P4 Tm4 -","4","1","","Kammereck, Stefanie; Bousrez, Guillaume; Renier, Olivier; Paterlini, Veronica; Smetana, Volodymyr; Mudring, Anja-Verena","Crystal chemistry and luminescence properties of tetrabutylphosphonium tetrakis(8-quinolinato)lanthanidate [P4444][Ln(Q)4]·2X (X = H2O and (CH3)2CO)","New Journal of Chemistry","2025","49","38","16493","16500","10.1039/D4NJ03697B","","","0.71073","MoKα","","0.0303","0.0254","","","0.055","0.0572","","","","","","1.063","","","","has coordinates,has disorder","302741","2025-10-06","10:19:08",""
"7063987","11.863","0.003","11.901","0.003","21.584","0.006","94.178","0.011","99.341","0.01","114.634","0.009","2699.5","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H72 N4 O6 P Yb -","- C58 H72 N4 O6 P Yb -","- C116 H144 N8 O12 P2 Yb2 -","2","1","","Kammereck, Stefanie; Bousrez, Guillaume; Renier, Olivier; Paterlini, Veronica; Smetana, Volodymyr; Mudring, Anja-Verena","Crystal chemistry and luminescence properties of tetrabutylphosphonium tetrakis(8-quinolinato)lanthanidate [P4444][Ln(Q)4]·2X (X = H2O and (CH3)2CO)","New Journal of Chemistry","2025","49","38","16493","16500","10.1039/D4NJ03697B","","","0.71073","MoKα","","0.0738","0.059","","","0.1525","0.1634","","","","","","1.055","","","","has coordinates","302741","2025-10-06","10:19:08",""
"7063988","24.1173","0.0015","18.9621","0.0013","10.6235","0.0006","90","","90","","90","","4858.3","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C52 H64 Er N4 O6 P -","- C52 H64 Er N4 O6 P -","- C208 H256 Er4 N16 O24 P4 -","4","1","","Kammereck, Stefanie; Bousrez, Guillaume; Renier, Olivier; Paterlini, Veronica; Smetana, Volodymyr; Mudring, Anja-Verena","Crystal chemistry and luminescence properties of tetrabutylphosphonium tetrakis(8-quinolinato)lanthanidate [P4444][Ln(Q)4]·2X (X = H2O and (CH3)2CO)","New Journal of Chemistry","2025","49","38","16493","16500","10.1039/D4NJ03697B","","","0.71073","MoKα","","0.1145","0.0634","","","0.0859","0.0982","","","","","","1.178","","","","has coordinates,has disorder","302741","2025-10-06","10:19:08",""
"7063989","24.1946","0.0019","18.9548","0.0012","10.6151","0.0006","90","","90","","90","","4868.1","0.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C52 H64 Lu N4 O6 P -","- C52 H64 Lu N4 O6 P -","- C208 H256 Lu4 N16 O24 P4 -","4","1","","Kammereck, Stefanie; Bousrez, Guillaume; Renier, Olivier; Paterlini, Veronica; Smetana, Volodymyr; Mudring, Anja-Verena","Crystal chemistry and luminescence properties of tetrabutylphosphonium tetrakis(8-quinolinato)lanthanidate [P4444][Ln(Q)4]·2X (X = H2O and (CH3)2CO)","New Journal of Chemistry","2025","49","38","16493","16500","10.1039/D4NJ03697B","","","0.71073","MoKα","","0.0557","0.0313","","","0.0613","0.0699","","","","","","1.004","","","","has coordinates,has disorder","302741","2025-10-06","10:19:08",""
"7063990","7.2","0.0001","10.2862","0.0002","24.1774","0.0004","90","","90","","90","","1790.59","0.05","219.99","0.1","219.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br N3 O3 -","- C17 H18 Br N3 O3 -","- C68 H72 Br4 N12 O12 -","4","1","","Lou, Jing; Zhu, Xian-Qiao; Pan, Di-Cheng; Liu, De-Wu; Jing, Hui-Xian; Liu, Xiong-Li; Zhang, Wen-Jing; Cen, Hong-Xing; Deng, Guo-Dong","Monodentate/bidentate chiral Ph/Py-NO ligands: an unexpected switch of enantioselectivity in Friedel–Crafts alkylation of indoles and 2,3-dioxopyrrolidines","New Journal of Chemistry","2025","49","39","17335","17349","10.1039/D5NJ02472B","","x-ray","1.54184","CuKα","","0.0443","0.0414","","","0.1078","0.1121","","","","","","1.038","","","","has coordinates","303877","2025-11-29","21:44:58",""
"7063991","18.321","0.013","5.648","0.004","14.128","0.01","90","","123.76","0.007","90","","1215.4","1.5","296","2","296.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ba Mo5 O16 -","- Ba Mo5 O16 -","- Ba4 Mo20 O64 -","4","0.5","","Du, Shiyu; Zhang, Paipai; Liu, Haozhen; An, Donghai; Chen, Yanna","A new ultraviolet-transparent molybdate featuring a layered structure and moderate birefringence","New Journal of Chemistry","2025","49","40","17561","17567","10.1039/D5NJ03191E","","","0.71073","MoKα","","0.0526","0.0388","","","0.0756","0.081","","","","","","1.085","","","","has coordinates","303886","2025-11-29","21:50:03",""
"7063992","14.7041","0.0005","7.4689","0.0002","35.5426","0.001","90","","90.348","0.003","90","","3903.3","0.2","294.7","0.8","294.7","0.8","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50.25 H35.25 N4 O -","- C50.25 H35.25 N4 O -","- C201 H141 N16 O4 -","4","1","","Kumar, Surendra; Srivastava, Ankit Kumar; Kushwaha, Ashish Kumar; Kumar, Anjani; Singh, Roop Shikha","Mechanochromism and aggregation-induced emission directed by donor strength in quinoxaline-based D–A molecules with application in latent fingerprinting and inkless writing","New Journal of Chemistry","2025","49","39","17300","17312","10.1039/D5NJ02578H","","x-ray","0.71073","MoKα","","0.12","0.0642","","","0.1913","0.2247","","","","","","1.064","","","","has coordinates","303876","2025-11-29","21:44:49",""
"7063993","19.7024","0.0007","20.9515","0.0006","30.4086","0.0011","82.99","0.001","88.863","0.001","76.849","0.001","12131.5","0.7","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C18 H198 Bi14 La6 N8 Na12 O356 Sb6 W76 -","- C18 Bi14 La6 N8 Na12 O356 Sb6 W76 -","- C18 Bi14 La6 N8 Na12 O356 Sb6 W76 -","1","0.5","","Lian, Chen; Chen, Ya-Meng; Fan, Yan-Meng; Xu, Zhuang; Li, Hai-Lou","A La-containing poly(polyoxometalate) simultaneously comprising tungstoantimonate and tungstobismuthate segments: synthesis, structure and catalysis","New Journal of Chemistry","2025","49","40","17470","17475","10.1039/D5NJ03326H","","","0.71073","MoKα","","0.0531","0.0456","","","0.1233","0.1278","","","","","","1.027","","","","has coordinates","303885","2025-11-29","21:49:54",""
"7063994","12.831","0.002","13.078","0.003","15.724","0.003","92.818","0.015","94.827","0.013","114.084","0.018","2390.2","0.9","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H46 N2 S2 -","- C62 H46 N2 S2 -","- C124 H92 N4 S4 -","2","1","","Ou, Tao; Kong, Lingxu; Song, Changsen; Shang, Bingyan; Yang, Jingjing; Zuo, Jinxin; Di, Feifan; Yan, Maocai; Ding, Lin; Li, Ruiji","Synthesis and photochromic modulation of aromaticity in dinaphthylethene derivatives","New Journal of Chemistry","2025","49","41","17841","17848","10.1039/D5NJ03137K","","x-ray","0.71073","MoKα","","0.5176","0.1748","","","0.3636","0.5661","","","","","","0.9155","","","","has coordinates","303859","2025-11-29","21:39:48",""
"7063995","9.5526","0.0008","30.64","0.002","11.7643","0.001","90","","105.132","0.009","90","","3323.9","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C90 H66 S3 -","- C90 H66 S3 -","- C180 H132 S6 -","2","1","","Ou, Tao; Kong, Lingxu; Song, Changsen; Shang, Bingyan; Yang, Jingjing; Zuo, Jinxin; Di, Feifan; Yan, Maocai; Ding, Lin; Li, Ruiji","Synthesis and photochromic modulation of aromaticity in dinaphthylethene derivatives","New Journal of Chemistry","2025","49","41","17841","17848","10.1039/D5NJ03137K","","x-ray","0.71073","MoKα","","0.278","0.0659","","","0.1318","0.2052","","","","","","0.894","","","","has coordinates","303859","2025-11-29","21:39:48",""
"7063996","13.023","0.003","16.781","0.003","10.7881","0.0017","90","","96.714","0.017","90","","2341.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N S -","- C31 H23 N S -","- C124 H92 N4 S4 -","4","1","","Ou, Tao; Kong, Lingxu; Song, Changsen; Shang, Bingyan; Yang, Jingjing; Zuo, Jinxin; Di, Feifan; Yan, Maocai; Ding, Lin; Li, Ruiji","Synthesis and photochromic modulation of aromaticity in dinaphthylethene derivatives","New Journal of Chemistry","2025","49","41","17841","17848","10.1039/D5NJ03137K","","x-ray","0.71073","MoKα","","0.6013","0.4705","","","0.7991","0.8406","","","","","","3.967","","","","has coordinates","303859","2025-11-29","21:39:48",""
"7063997","10.431","0.004","11.026","0.004","11.802","0.006","113.27","0.04","102.05","0.04","107.42","0.03","1103.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 Cl N3 S0.5 -","- C30 H21 S -","- C60 H42 S2 -","2","1","","Ou, Tao; Kong, Lingxu; Song, Changsen; Shang, Bingyan; Yang, Jingjing; Zuo, Jinxin; Di, Feifan; Yan, Maocai; Ding, Lin; Li, Ruiji","Synthesis and photochromic modulation of aromaticity in dinaphthylethene derivatives","New Journal of Chemistry","2025","49","41","17841","17848","10.1039/D5NJ03137K","","x-ray","0.71073","MoKα","","0.2744","0.1672","","","0.4112","0.4725","","","","","","1.349","","","","has coordinates","303859","2025-11-29","21:39:48",""
"7063998","6.6698","0.0001","6.9395","0.0002","10.3982","0.0002","86.102","0.002","89.671","0.002","65.634","0.002","437.267","0.018","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 Co O10 -","- C20 H14 Co O10 -","- C20 H14 Co O10 -","1","0.5","","Azam, Sahil; Dutta, Subhajit; Hui, Sayani; Jana, Narayan Ch.; Bagh, Bidraha; Mahata, Partha; Mondal, Sudip Kumar","Selective detection of an organophosphorus pesticide using a pH-sensitive metal–organic compound containing a cobalt(ii) ion","New Journal of Chemistry","2025","49","40","17730","17742","10.1039/D5NJ02157J","","","1.54184","CuKα","","0.0264","0.026","","","0.0708","0.0718","","","","","","1.09","","","","has coordinates","303889","2025-11-29","21:50:43",""
"7063999","8.2316","0.0005","10.0169","0.0006","10.2069","0.0007","75.671","0.003","88.906","0.003","87.669","0.003","814.72","0.09","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- Al2 Cs2 O16 P4 Ti -","- Al2 Cs2 O16 P4 Ti -","- Al4 Cs4 O32 P8 Ti2 -","2","1","","Baiheti, Tuohetijiang; Ababaike, Mairihaba; Wumaier, Salamaiti; Wang, Shutong","M2Al2Ti(PO4)4 (M = Rb, Cs): synthesis and optical property investigation of two titanium phosphates with a dissimilar structural configuration","New Journal of Chemistry","2025","49","40","17694","17700","10.1039/D5NJ03072B","","","0.71073","MoKα","","0.0464","0.0379","","","0.0892","0.0979","","","","","","1.055","","","","has coordinates","303890","2025-11-29","21:50:53",""
"7064000","18.1206","0.0017","5.231","0.0004","7.8105","0.0007","90","","95.684","0.004","90","","736.71","0.11","156","","156","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Al2 O16 P4 Rb2 Ti -","- Al2 O16 P4 Rb2 Ti -","- Al4 O32 P8 Rb4 Ti2 -","2","0.25","","Baiheti, Tuohetijiang; Ababaike, Mairihaba; Wumaier, Salamaiti; Wang, Shutong","M2Al2Ti(PO4)4 (M = Rb, Cs): synthesis and optical property investigation of two titanium phosphates with a dissimilar structural configuration","New Journal of Chemistry","2025","49","40","17694","17700","10.1039/D5NJ03072B","","","0.71073","MoKα","","0.0627","0.0396","","","0.0871","0.0952","","","","","","1.096","","","","has coordinates","303890","2025-11-29","21:50:54",""
"7064001","12.3359","0.0006","14.5696","0.0005","7.3867","0.0005","90","","98.76","0.03","90","","1312.12","0.16","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","Iron Ethyl-Isonicotinate nitroprusside","","- C21 Fe2 N8 O5 -","- C21 Fe2 N8 O5 -","- C42 Fe4 N16 O10 -","2","1","","Vázquez, M. C.; Avila, Y.; Mojica, R.; Cervera-Gabalda, L.; Galarreta-Rodríguez, I.; González, M.; Rodríguez-Hernández, J.; Rubio-Zuazo, J.; Reguera, E.","Spin crossover in Fe(4X-isonicotinate)2[Fe(CN)5NO] with X = methyl and ethyl: the effect of the 4X substituent size on the spin transition","New Journal of Chemistry","2025","49","40","17434","17446","10.1039/D5NJ02938D","powder diffraction","","","CuKa","","","","","","","","","26.2757","1.564","","","","","","","has coordinates","303888","2025-11-29","21:50:32",""
"7064002","11.5223","0.0004","15.0011","0.0006","7.24418","0.00005","90","","99.23","0.05","90","","1235.92","0.19","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","Iron (Methyl-Isonicotinate) nitroprussiate - 300K","","- C19 Fe2 N8 O5 -","- C19 Fe2 N8 O5 -","- C38 Fe4 N16 O10 -","2","1","","Vázquez, M. C.; Avila, Y.; Mojica, R.; Cervera-Gabalda, L.; Galarreta-Rodríguez, I.; González, M.; Rodríguez-Hernández, J.; Rubio-Zuazo, J.; Reguera, E.","Spin crossover in Fe(4X-isonicotinate)2[Fe(CN)5NO] with X = methyl and ethyl: the effect of the 4X substituent size on the spin transition","New Journal of Chemistry","2025","49","40","17434","17446","10.1039/D5NJ02938D","powder diffraction","","0.825878","synchrotron","","","","","","","","","33.3398","1.564","","","","","","","has coordinates","303888","2025-11-29","21:50:33",""
"7064003","11.4112","0.0004","14.7556","0.0006","7.0769","0.0005","90","","99.62","0.05","90","","1174.8","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","Iron (Methyl-Isonicotinate) nitroprussiate - 100K","","- C19 Fe2 N8 O5 -","- C19 Fe2 N8 O5 -","- C38 Fe4 N16 O10 -","2","1","","Vázquez, M. C.; Avila, Y.; Mojica, R.; Cervera-Gabalda, L.; Galarreta-Rodríguez, I.; González, M.; Rodríguez-Hernández, J.; Rubio-Zuazo, J.; Reguera, E.","Spin crossover in Fe(4X-isonicotinate)2[Fe(CN)5NO] with X = methyl and ethyl: the effect of the 4X substituent size on the spin transition","New Journal of Chemistry","2025","49","40","17434","17446","10.1039/D5NJ02938D","powder diffraction","","0.825787","synchrotron","","","","","","","","","28.0011","1.564","","","","","","","has coordinates","303888","2025-11-29","21:50:33",""
"7064004","12.2888","0.0006","14.5058","0.0005","7.3438","0.0005","90","","98.98","0.03","90","","1293.05","0.16","80","","80","","","","","","","","","4","P 1 21 1","P 2yb","4","","Iron Ethyl-Isonicotinate nitroprusside","","- C21 Fe2 N8 O5 -","- C21 Fe2 N8 O5 -","- C42 Fe4 N16 O10 -","2","1","","Vázquez, M. C.; Avila, Y.; Mojica, R.; Cervera-Gabalda, L.; Galarreta-Rodríguez, I.; González, M.; Rodríguez-Hernández, J.; Rubio-Zuazo, J.; Reguera, E.","Spin crossover in Fe(4X-isonicotinate)2[Fe(CN)5NO] with X = methyl and ethyl: the effect of the 4X substituent size on the spin transition","New Journal of Chemistry","2025","49","40","17434","17446","10.1039/D5NJ02938D","powder diffraction","","","CuKa","","","","","","","","","30.6551","1.564","","","","","","","has coordinates","303888","2025-11-29","21:50:33",""
"7064005","21.9114","0.0011","10.235","0.0005","20.2779","0.001","90","","95.608","0.002","90","","4525.8","0.4","120","2","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H26 Ag2 Fe N7 O3 -","- C47 H26 Ag2 Fe N7 O3 -","- C188 H104 Ag8 Fe4 N28 O12 -","4","1","","Yan, Fei-Fei; Zhou, Ren-He; Li, Xin-Feng; Zhao, Liang; Meng, Yin-Shan","A three-dimensional Hofmann-type metal–organic framework with switchable spin crossover and fluorescence properties","New Journal of Chemistry","2025","49","40","17753","17759","10.1039/D5NJ02941D","","","0.71073","MoKα","","0.0886","0.057","","","0.1325","0.149","","","","","","1.022","","","","has coordinates","303887","2025-11-29","21:50:13",""
"7064006","22.267","0.001","10.5295","0.0004","20.8347","0.0009","90","","94.834","0.002","90","","4867.5","0.4","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H26 Ag2 Fe N7 O3 -","- C47 H26 Ag2 Fe N7 O3 -","- C188 H104 Ag8 Fe4 N28 O12 -","4","1","","Yan, Fei-Fei; Zhou, Ren-He; Li, Xin-Feng; Zhao, Liang; Meng, Yin-Shan","A three-dimensional Hofmann-type metal–organic framework with switchable spin crossover and fluorescence properties","New Journal of Chemistry","2025","49","40","17753","17759","10.1039/D5NJ02941D","","","0.71073","MoKα","","0.1042","0.0619","","","0.1763","0.2072","","","","","","1.024","","","","has coordinates","303887","2025-11-29","21:50:15",""
"7064007","9.6288","0.0008","10.9399","0.001","11.7383","0.0009","87.939","0.003","80.976","0.003","67.318","0.003","1126.33","0.17","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N O2 P -","- C27 H24 N O2 P -","- C54 H48 N2 O4 P2 -","2","1","","Pandey, Ankit; Kaur, Bhupinder; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Copper nanoparticle-catalyzed synthesis of N-arylated indoles, carbazoles, and N-alkylated indoles","New Journal of Chemistry","2025","49","41","17936","17950","10.1039/D5NJ02820E","","","0.71073","MoKα","","0.0388","0.0353","","","0.0875","0.09","","","","","","1.027","","","","has coordinates","303858","2025-11-29","21:39:27",""
"7064008","14.9961","0.0016","16.8436","0.0016","9.6647","0.0009","90","","105.001","0.004","90","","2358","0.4","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N O2 P -","- C28 H26 N O2 P -","- C112 H104 N4 O8 P4 -","4","1","","Pandey, Ankit; Kaur, Bhupinder; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Copper nanoparticle-catalyzed synthesis of N-arylated indoles, carbazoles, and N-alkylated indoles","New Journal of Chemistry","2025","49","41","17936","17950","10.1039/D5NJ02820E","","","0.71073","MoKα","","0.0453","0.0374","","","0.0851","0.0941","","","","","","1.104","","","","has coordinates","303858","2025-11-29","21:39:27",""
"7064009","9.3433","0.0004","11.4881","0.0005","14.2465","0.0006","73.938","0.002","74.522","0.001","78.104","0.002","1401.66","0.11","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H58 Br2 Cu2 N4 O4 P2 -","- C60 H58 Br2 Cu2 N4 O4 P2 -","- C60 H58 Br2 Cu2 N4 O4 P2 -","1","0.5","","Pandey, Ankit; Kaur, Bhupinder; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Copper nanoparticle-catalyzed synthesis of N-arylated indoles, carbazoles, and N-alkylated indoles","New Journal of Chemistry","2025","49","41","17936","17950","10.1039/D5NJ02820E","","","0.71073","MoKα","","0.0301","0.025","","","0.0625","0.065","","","","","","1.011","","","","has coordinates","303858","2025-11-29","21:39:27",""
"7064010","9.9358","0.0013","11.7812","0.0015","11.8217","0.0015","85.957","0.004","69.575","0.004","72.871","0.004","1238.5","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H24 Cu I N O2 P -","- C27 H24 Cu I N O2 P -","- C54 H48 Cu2 I2 N2 O4 P2 -","2","1","","Pandey, Ankit; Kaur, Bhupinder; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Copper nanoparticle-catalyzed synthesis of N-arylated indoles, carbazoles, and N-alkylated indoles","New Journal of Chemistry","2025","49","41","17936","17950","10.1039/D5NJ02820E","","","0.71073","MoKα","","0.0206","0.0201","","","0.0515","0.0519","","","","","","1.087","","","","has coordinates","303858","2025-11-29","21:39:27",""
"7064011","11.1119","0.0019","11.501","0.002","11.673","0.002","110.624","0.006","109.704","0.009","92.648","0.007","1291.2","0.4","150.15","","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H48 Br2 Cu2 N2 O4 P2 -","- C54 H48 Br2 Cu2 N2 O4 P2 -","- C54 H48 Br2 Cu2 N2 O4 P2 -","1","0.5","","Pandey, Ankit; Kaur, Bhupinder; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Copper nanoparticle-catalyzed synthesis of N-arylated indoles, carbazoles, and N-alkylated indoles","New Journal of Chemistry","2025","49","41","17936","17950","10.1039/D5NJ02820E","","","0.71073","MoKα","","0.0315","0.0285","","","0.073","0.0751","","","","","","1.02","","","","has coordinates,has disorder","303858","2025-11-29","21:39:27",""
"7064012","12.3061","0.0009","12.7758","0.0008","17.5598","0.0012","82.501","0.002","77.156","0.002","76.439","0.002","2607.7","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H52 Cu2 I2 N2 O4 P2 -","- C56 H52 Cu2 I2 N2 O4 P2 -","- C112 H104 Cu4 I4 N4 O8 P4 -","2","1","","Pandey, Ankit; Kaur, Bhupinder; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Copper nanoparticle-catalyzed synthesis of N-arylated indoles, carbazoles, and N-alkylated indoles","New Journal of Chemistry","2025","49","41","17936","17950","10.1039/D5NJ02820E","","","0.71073","MoKα","","0.0422","0.0324","","","0.0768","0.0814","","","","","","1.02","","","","has coordinates","303858","2025-11-29","21:39:27",""
"7064013","9.9058","0.0014","11.72","0.0018","11.8011","0.0018","84.061","0.006","73.695","0.005","68.389","0.005","1222.5","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H44 Cu2 I2 N2 O4 P2 -","- C52 H44 Cu2 I2 N2 O4 P2 -","- C52 H44 Cu2 I2 N2 O4 P2 -","1","0.5","","Pandey, Ankit; Kaur, Bhupinder; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Copper nanoparticle-catalyzed synthesis of N-arylated indoles, carbazoles, and N-alkylated indoles","New Journal of Chemistry","2025","49","41","17936","17950","10.1039/D5NJ02820E","","","0.71073","MoKα","","0.0202","0.0188","","","0.0502","0.051","","","","","","1.0961","","","","has coordinates","303858","2025-11-29","21:39:27",""
"7064014","13.932","0.004","4.3987","0.0011","21.14","0.006","90","","90.211","0.011","90","","1295.5","0.6","299","","299","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C52 H40 N16 O20 -","4","1","","Sahu, Devanand; Roy, Rajat Kumar; Pandey, Abhilash; Dutta, Srishti; Kumar, Dishen; Sharma, Vanshika; Mahata, Kamakshya Prasad; Patra, Goutam Kumar","Fluorescent-colorimetric selective and sensitive detection of sulfide anions by salicylaldehyde-2,4-dinitrophenylhydrazone: biological, environmental and logic gate application","New Journal of Chemistry","2025","49","41","18086","18096","10.1039/D5NJ02931G","","","0.71073","MoKα","","0.1485","0.0529","","","0.1124","0.1564","","","","","","0.992","","","","has coordinates","303855","2025-11-29","21:38:49",""
"7064015","7.9286","0.0001","13.8785","0.0002","29.4112","0.0004","90","","90","","90","","3236.32","0.08","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 F6 I N8 O P Ru -","- C29 H26 F6 I N8 O P Ru -","- C116 H104 F24 I4 N32 O4 P4 Ru4 -","4","1","","Saha, Achena; Yadav, Ekta; Nath, Shambhu; Singh, Ashu; Singh, Amrendra K.","Ru(ii)–CNC pincer complexes with bis(protic-NHC): comparative analysis with bis(classical-NHC) and mixed protic- & classical-NHC analogues","New Journal of Chemistry","2025","49","41","18191","18201","10.1039/D5NJ03111G","","x-ray","0.71073","MoKα","","0.041","0.034","","","0.0846","0.0888","","","","","","1.027","","","","has coordinates","303862","2025-11-29","21:40:31",""
"7064016","11.4185","0.0012","13.3983","0.0014","14.4111","0.0015","91.529","0.004","108.508","0.004","113.373","0.004","1889.4","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Cl3 N O2 -","- C21 H14 Cl3 N O2 -","- C84 H56 Cl12 N4 O8 -","4","2","","Efimov, Ilya V.; Sokolov, Vladislav A.; Vasilyev, Aleksander V.; Kumar, Yogesh; Khushal,; D’Alterio, Massimo Christian; Talarico, Giovanni; Voskressensky, Leonid G.","Regio- and stereoselective synthesis of 5-(trichloromethyl)-isoxazolines","New Journal of Chemistry","2025","49","41","17987","17996","10.1039/D5NJ03070F","","","0.71073","MoKα","","0.0851","0.0764","","","0.2348","0.2381","","","","","","1.069","","","","has coordinates","303860","2025-11-29","21:39:59",""
"7064017","13.9252","0.0004","12.9976","0.0004","19.9392","0.0006","90","","104.472","0.001","90","","3494.37","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Co N10 O9 Tb -","- C26 H40 Co N10 O9 Tb -","- C104 H160 Co4 N40 O36 Tb4 -","4","1","","Petrosyants, Svetlana P.; Galkina, Alina S.; Babeshkin, Konstantin A.; Ilyukhin, Andrey B.; Efimov, Nikolay N.; Eremenko, Igor L.","Cyano-bridged LnIII/CoIII coordination polymers: synthesis, crystal structure and magnetic properties","New Journal of Chemistry","2025","49","41","18041","18047","10.1039/D5NJ02829A","","","0.71073","MoKα","","0.0623","0.045","","","0.0874","0.0921","","","","","","1.075","","","","has coordinates,has disorder","303863","2025-11-29","21:40:40",""
"7064018","11.2655","0.0011","13.4789","0.0013","18.0329","0.0018","90","","90.095","0.003","90","","2738.2","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Co Er N10 O3 -","- C24 H24 Co Er N10 O3 -","- C96 H96 Co4 Er4 N40 O12 -","4","1","","Petrosyants, Svetlana P.; Galkina, Alina S.; Babeshkin, Konstantin A.; Ilyukhin, Andrey B.; Efimov, Nikolay N.; Eremenko, Igor L.","Cyano-bridged LnIII/CoIII coordination polymers: synthesis, crystal structure and magnetic properties","New Journal of Chemistry","2025","49","41","18041","18047","10.1039/D5NJ02829A","","","0.71073","MoKα","","0.1251","0.0748","","","0.1442","0.1642","","","","","","1.05","","","","has coordinates","303863","2025-11-29","21:40:41",""
"7064019","5.4286","0.0006","5.6217","0.0007","11.0326","0.0012","97.348","0.004","99.037","0.004","90.679","0.004","329.61","0.07","296","","296","","","","","","","","","4","P -1","-P 1","2","","2,2,2-trifluoroethylamium pentazolate","","- C2 H5 F3 N6 -","- C2 H5 F3 N6 -","- C4 H10 F6 N12 -","2","1","","Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Hu, Bingcheng; Sun, Chengguo","Terminal fluorination of ethylamine cations modulates the packing pattern of high-density pentazolate salts","New Journal of Chemistry","2025","49","41","18121","18128","10.1039/D5NJ02770E","","","0.71073","MoKα","","0.0733","0.0518","","","0.1274","0.1387","","","","","","1.053","","","","has coordinates","303857","2025-11-29","21:39:10",""
"7064020","7.14","0.0015","9.2173","0.0018","9.5422","0.0019","90","","90","","90","","628","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 H7 F N6 -","- C2 H7 F N6 -","- C8 H28 F4 N24 -","4","1","","Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Hu, Bingcheng; Sun, Chengguo","Terminal fluorination of ethylamine cations modulates the packing pattern of high-density pentazolate salts","New Journal of Chemistry","2025","49","41","18121","18128","10.1039/D5NJ02770E","","","0.71073","MoKα","","0.0837","0.0518","","","0.1239","0.1393","","","","","","1.024","","","","has coordinates","303857","2025-11-29","21:39:11",""
"7064021","9.783","0.0008","8.3824","0.0007","7.8384","0.0013","90","","90","","90","","642.79","0.13","273.15","","273.15","","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C2 H6 F2 N6 -","- C2 H6 F2 N6 -","- C8 H24 F8 N24 -","4","0.5","","Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Hu, Bingcheng; Sun, Chengguo","Terminal fluorination of ethylamine cations modulates the packing pattern of high-density pentazolate salts","New Journal of Chemistry","2025","49","41","18121","18128","10.1039/D5NJ02770E","","","0.71073","MoKα","","0.0553","0.0521","","","0.1314","0.1344","","","","","","1.213","","","","has coordinates","303857","2025-11-29","21:39:11",""
"7064022","12.715","0.003","9.2257","0.0015","31.29","0.005","90","","95.436","0.009","90","","3654","1.2","281","2","281","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 N4 -","- C44 N4 -","- C176 N16 -","4","1","","Ou, Yi-Ting; Tseng, Tzu-Yun; Ke, Yuanzhen; Chen, Chih-Hsien","Strong red-emission tetraphenylethene-based AIE-active π-conjugated push-pull chromophores","New Journal of Chemistry","2025","","","","","10.1039/D5NJ02814K","","","0.71073","MoKα","","0.4484","0.2685","","","0.3379","0.4","","","","","","1.507","","","","has coordinates","302215","2025-09-23","00:45:04",""
"7064023","20.2485","0.0003","13.0365","0.0002","8.3746","0.0001","90","","90","","90","","2210.64","0.05","295.63","0.1","295.63","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","zhL","","- C23 H29 Cl N2 Pd -","- C23 H29 Cl N2 Pd -","- C92 H116 Cl4 N8 Pd4 -","4","1","","Zhang, Hongli; Dai, Shengyu","Controlling polar monomer incorporation ratio via steric attenuation: Pd-catalyzed synthesis of polar hyperbranched polyethylenes","New Journal of Chemistry","2025","49","42","18430","18435","10.1039/D5NJ03147H","","","1.54184","CuKα","","0.0396","0.0377","","","0.1035","0.1058","","","","","","1.137","","","","has coordinates,has disorder","303874","2025-11-29","21:44:13",""
"7064024","18.842","0.0012","6.2924","0.0003","16.2912","0.0011","90","","90","","90","","1931.5","0.2","297","","297","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","","Zeng, Yu; Chen, Jian-Yuan; Li, Yun; Guo, Ji-Lin; Pang, Chu-Ming; Li, Sheng-Yu; Wang, Zhao-Yang","The concise synthesis of tetrasubstituted furan-based Schiff base compounds via a one-pot method","New Journal of Chemistry","2025","49","42","18502","18509","10.1039/D5NJ03763H","","x-ray","0.71073","MoKα","","0.0923","0.0596","","","0.1065","0.1199","","","","","","1.068","","","","has coordinates","303873","2025-11-29","21:44:05",""
"7064025","12.417","","13.903","","7.153","","90","","111.541","0.005","90","","1148.6","0.04","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cu Na4 O12 W3 -","- Cu0.956 Na4.044 O12 W3 -","- Cu3.824 Na16.176 O48 W12 -","4","0.5","","Belkhettab, Ilyas; Mokhnache, Oualid; Chetoui, Abdelmounaim; Bencherifa, Ismail; Boughzala, Habib","Structural study and physico-chemical characterization of the novel triple tungstate Na4Cu(WO4)3 with alluaudite-like structure","New Journal of Chemistry","2025","49","41","17925","17935","10.1039/D5NJ03082J","","","0.71073","MoKα","","0.0478","0.0408","","","0.1027","0.106","","","","","","1.093","","","","has coordinates","303856","2025-11-29","21:38:59",""
"7064026","14.372","0.005","25.215","0.009","23.014","0.009","90","","92.748","0.007","90","","8330","5","100.02","","100.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C100 H102 Co2 O14 -","- C100 H102 Co2 O14 -","- C400 H408 Co8 O56 -","4","1","","Pankratz, Trey C.; Harris, Caleb F.; Hyland, Ethan E.; Sailer, Joshua K.; Wheaton, Amelia M.; Davies, Huw M. L.; Berry, John F.","Dicobalt tetracarboxylate complexes with labile axial ligands","New Journal of Chemistry","2025","49","42","18292","18302","10.1039/D5NJ02169C","","x-ray","1.54178","CuKα","K-L~3~","0.0639","0.0479","","","0.1137","0.1226","","","","","","1.03","","","","has coordinates,has disorder","303872","2025-11-29","21:43:53",""
"7064027","12.13","0.003","12.137","0.003","13.833","0.004","109.773","0.011","98.611","0.01","104.368","0.013","1794.5","0.8","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C86 H86 Co O14 -","- C86 H86 Co O14 -","- C86 H86 Co O14 -","1","0.5","","Pankratz, Trey C.; Harris, Caleb F.; Hyland, Ethan E.; Sailer, Joshua K.; Wheaton, Amelia M.; Davies, Huw M. L.; Berry, John F.","Dicobalt tetracarboxylate complexes with labile axial ligands","New Journal of Chemistry","2025","49","42","18292","18302","10.1039/D5NJ02169C","","x-ray","0.71073","MoKα","","0.0351","0.0323","","","0.0871","0.0889","","","","","","1.025","","","","has coordinates","303872","2025-11-29","21:43:54",""
"7064028","20.211","0.012","16.757","0.006","21.469","0.008","90","","90.78","0.03","90","","7270","6","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C88 H80 Co2 O10 -","- C88 H80 Co2 O10 -","- C352 H320 Co8 O40 -","4","0.5","","Pankratz, Trey C.; Harris, Caleb F.; Hyland, Ethan E.; Sailer, Joshua K.; Wheaton, Amelia M.; Davies, Huw M. L.; Berry, John F.","Dicobalt tetracarboxylate complexes with labile axial ligands","New Journal of Chemistry","2025","49","42","18292","18302","10.1039/D5NJ02169C","","","1.54178","CuKα","","0.0304","0.0281","","","0.0768","0.0782","","","","","","1.059","","","","has coordinates","303872","2025-11-29","21:43:54",""
"7064029","20.931","0.003","16.88","0.002","20.205","0.003","90","","90.332","0.006","90","","7138.6","1.7","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C88 H76 Co2 O10 -","- C88 H76 Co2 O10 -","- C352 H304 Co8 O40 -","4","0.5","","Pankratz, Trey C.; Harris, Caleb F.; Hyland, Ethan E.; Sailer, Joshua K.; Wheaton, Amelia M.; Davies, Huw M. L.; Berry, John F.","Dicobalt tetracarboxylate complexes with labile axial ligands","New Journal of Chemistry","2025","49","42","18292","18302","10.1039/D5NJ02169C","","","1.54184","CuKα","","0.0492","0.0418","","","0.1172","0.1231","","","","","","1.041","","","","has coordinates,has disorder","303872","2025-11-29","21:43:54",""
"7064030","14.008","0.003","12.09","0.002","14.575","0.003","90","","105.94","0.03","90","","2373.5","0.9","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N5 O11 Zn2 -","- C17 H13 N3 O9 Zn2 -","- C68 H52 N12 O36 Zn8 -","4","1","","Bakhshandeh, Monireh; Akhbari, Kamran; Soltani, Sajjad; Tylianakis, Emmanuel; Froudakis, George E.; White, Jonathan M.","Computational investigation of the potential of a zinc-based metal–organic framework as a quercetin and 5-fluorouracil anticancer drug carrier","New Journal of Chemistry","2025","49","44","19445","19453","10.1039/D5NJ01619C","","","0.710918","Synchrotron","","0.0427","0.0408","","","0.1329","0.1353","","","","","","1.13","","","","has coordinates","303853","2025-11-29","21:38:16",""
"7064031","5.9147","0.0004","9.7728","0.0007","11.5476","0.0007","97.578","0.002","94.638","0.002","90.006","0.002","659.45","0.08","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N3 O -","- C15 H17 N3 O -","- C30 H34 N6 O2 -","2","1","","Price, Lee; Li, Zonyuan; Zhang, Wei","Synthesis of a pyrroloquinoline-containing polycyclic scaffold via decarboxylative [3+2] cycloaddition and aza-Wittig reactions","New Journal of Chemistry","2025","49","43","18970","18973","10.1039/D5NJ03128A","","","0.71073","MoKα","","0.0462","0.0389","","","0.1014","0.1074","","","","","","1.053","","","","has coordinates","303867","2025-11-29","21:41:45",""
"7064032","13.4245","0.0009","10.2009","0.0009","13.9121","0.0011","90","","107.05","0.003","90","","1821.4","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N5 O2 -","- C18 H23 N5 O2 -","- C72 H92 N20 O8 -","4","1","","Price, Lee; Li, Zonyuan; Zhang, Wei","Synthesis of a pyrroloquinoline-containing polycyclic scaffold via decarboxylative [3+2] cycloaddition and aza-Wittig reactions","New Journal of Chemistry","2025","49","43","18970","18973","10.1039/D5NJ03128A","","","0.71073","MoKα","","0.0531","0.0422","","","0.109","0.1207","","","","","","0.972","","","","has coordinates,has disorder","303867","2025-11-29","21:41:45",""
"7064033","24.7774","0.0012","24.7774","0.0012","14.0219","0.0011","90","","90","","120","","7455","0.8","300","2","300","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C288 H342 N54 O18 -","18","1","","Price, Lee; Li, Zonyuan; Zhang, Wei","Synthesis of a pyrroloquinoline-containing polycyclic scaffold via decarboxylative [3+2] cycloaddition and aza-Wittig reactions","New Journal of Chemistry","2025","49","43","18970","18973","10.1039/D5NJ03128A","","","0.71073","MoKα","","0.0804","0.0595","","","0.2002","0.2328","","","","","","1.047","","","","has coordinates,has disorder","303867","2025-11-29","21:41:45",""
"7064034","14.0582","0.0013","8.7981","0.0007","13.452","0.0012","90","","111.489","0.003","90","","1548.2","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N5 O2 -","- C15 H17 N5 O2 -","- C60 H68 N20 O8 -","4","1","","Price, Lee; Li, Zonyuan; Zhang, Wei","Synthesis of a pyrroloquinoline-containing polycyclic scaffold via decarboxylative [3+2] cycloaddition and aza-Wittig reactions","New Journal of Chemistry","2025","49","43","18970","18973","10.1039/D5NJ03128A","","","0.71073","MoKα","","0.0536","0.0432","","","0.1103","0.1198","","","","","","1.002","","","","has coordinates,has disorder","303867","2025-11-29","21:41:45",""
"7064035","10.1162","0.0007","11.1065","0.0009","10.7813","0.0008","90","","100.768","0.003","90","","1190.01","0.15","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C56 H60 N12 O4 -","4","1","","Price, Lee; Li, Zonyuan; Zhang, Wei","Synthesis of a pyrroloquinoline-containing polycyclic scaffold via decarboxylative [3+2] cycloaddition and aza-Wittig reactions","New Journal of Chemistry","2025","49","43","18970","18973","10.1039/D5NJ03128A","","","0.71073","MoKα","","0.0414","0.0358","","","0.0925","0.0984","","","","","","1.022","","","","has coordinates","303867","2025-11-29","21:41:45",""
"7064036","8.596","0.0014","11.0118","0.0014","9.5399","0.0015","90","","92.78","0.005","90","","902","0.2","294","2","294.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","2,3a-dimethyl-1-(phenylsulfonyl)-6-(prop-1-en-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzo[d]imidazole","","- C18 H24 N2 O2 S -","- C18 H24 N2 O2 S -","- C36 H48 N4 O4 S2 -","2","1","","Moskalik, Mikhail Yu.; Myasnikova, Valentina S.; Astakhova, Vera V.; Borodina, Tatyana N.; Zinchenko, Sergey V.; Shainyan, Bagrat A.","Chemo-, regio-, and stereoselective heterocyclization of sulfonamides and d-limonene with solvent interception","New Journal of Chemistry","2025","49","41","18097","18102","10.1039/D5NJ02510A","","","0.71073","MoKα","","0.0974","0.0507","","","0.1056","0.1211","","","","","","1.065","","","","has coordinates","303861","2025-11-29","21:40:18",""
"7064037","9.3342","0.0007","10.5853","0.0008","19.8933","0.0014","90","","90","","90","","1965.6","0.3","294","2","294","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1-((4-bromophenyl)sulfonyl)-2,3a-dimethyl-6-(prop-1-en-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzo[d]imidazole","","- C18 H23 Br N2 O2 S -","- C18 H23 Br N2 O2 S -","- C72 H92 Br4 N8 O8 S4 -","4","1","","Moskalik, Mikhail Yu.; Myasnikova, Valentina S.; Astakhova, Vera V.; Borodina, Tatyana N.; Zinchenko, Sergey V.; Shainyan, Bagrat A.","Chemo-, regio-, and stereoselective heterocyclization of sulfonamides and d-limonene with solvent interception","New Journal of Chemistry","2025","49","41","18097","18102","10.1039/D5NJ02510A","","","1.54178","CuKα","","0.0466","0.0448","","","0.119","0.1204","","","","","","1.071","","","","has coordinates","303861","2025-11-29","21:40:19",""
"7064038","10.8486","0.0008","10.8486","0.0008","12.6716","0.0012","90","","90","","120","","1291.54","0.18","293.15","","293.15","","","","","","","","","6","P 32","P 32","145","","N-((1S,2R,4R)-1-methyl-4-(prop-1-en-2-yl)-2-((trifluoromethyl)sulfonamido)cyclohexyl)acetamide","","- C13 H21 F3 N2 O3 S -","- C13 H21 F3 N2 O3 S -","- C39 H63 F9 N6 O9 S3 -","3","1","","Moskalik, Mikhail Yu.; Myasnikova, Valentina S.; Astakhova, Vera V.; Borodina, Tatyana N.; Zinchenko, Sergey V.; Shainyan, Bagrat A.","Chemo-, regio-, and stereoselective heterocyclization of sulfonamides and d-limonene with solvent interception","New Journal of Chemistry","2025","49","41","18097","18102","10.1039/D5NJ02510A","","","0.71073","MoKα","","0.0568","0.0433","","","0.1036","0.1113","","","","","","1.067","","","","has coordinates","303861","2025-11-29","21:40:19",""
"7064039","9.5856","0.0004","10.5654","0.0004","20.1903","0.0008","90","","90","","90","","2044.79","0.14","294","2","294","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2,3a-dimethyl-6-(prop-1-en-2-yl)-1-((4-(trifluoromethyl)phenyl)sulfonyl)-3a,4,5,6,7,7a-hexahydro-1H-benzo[d]imidazole","","- C19 H23 F3 N2 O2 S -","- C19 H23 F3 N2 O2 S -","- C76 H92 F12 N8 O8 S4 -","4","1","","Moskalik, Mikhail Yu.; Myasnikova, Valentina S.; Astakhova, Vera V.; Borodina, Tatyana N.; Zinchenko, Sergey V.; Shainyan, Bagrat A.","Chemo-, regio-, and stereoselective heterocyclization of sulfonamides and d-limonene with solvent interception","New Journal of Chemistry","2025","49","41","18097","18102","10.1039/D5NJ02510A","","","1.54178","CuKα","","0.0493","0.0395","","","0.0903","0.0955","","","","","","1.053","","","","has coordinates,has disorder","303861","2025-11-29","21:40:19",""
"7064040","9.3126","0.0006","10.5891","0.0008","19.6462","0.0015","90","","90","","90","","1937.4","0.2","294","2","294","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1-((4-chlorophenyl)sulfonyl)-2,3a-dimethyl-6-(prop-1-en-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzo[d]imidazole","","- C18 H23 Cl N2 O2 S -","- C18 H23 Cl N2 O2 S -","- C72 H92 Cl4 N8 O8 S4 -","4","1","","Moskalik, Mikhail Yu.; Myasnikova, Valentina S.; Astakhova, Vera V.; Borodina, Tatyana N.; Zinchenko, Sergey V.; Shainyan, Bagrat A.","Chemo-, regio-, and stereoselective heterocyclization of sulfonamides and d-limonene with solvent interception","New Journal of Chemistry","2025","49","41","18097","18102","10.1039/D5NJ02510A","","","0.71073","MoKα","","0.1073","0.0553","","","0.1135","0.1323","","","","","","1.0268","","","","has coordinates","303861","2025-11-29","21:40:19",""
"7064041","14.066","0.003","13.295","0.003","16.107","0.004","90","","102.059","0.009","90","","2945.7","1.2","140","","140","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu N8 O11 -","- C26 H15 Cu N7 O10 -","- C104 H60 Cu4 N28 O40 -","4","1","","Rajak, Richa; Sinha, Kushagra; Gupta, Sweety; Paul, Amit","Cu-based coordination polymer@GO for supercapacitor and solid-state proton conduction applications","New Journal of Chemistry","2025","49","42","18623","18634","10.1039/D5NJ03093E","","","0.71073","MoKα","","0.2122","0.0862","","","0.2089","0.2937","","","","","","0.9945","","","","has coordinates","303871","2025-11-29","21:43:31",""
"7064042","8.2372","0.0003","16.2835","0.0006","15.2267","0.0006","90","","103.815","0.001","90","","1983.28","0.13","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","C26H24N2O","","- C26 H23 N2 O -","- C26 H23 N2 O -","- C104 H92 N8 O4 -","4","1","","Kumar, Parveen; Kumar, Gourav; Tomar, Vijesh; Nemiwal, Meena","Sustainable synthesis of bis(indolyl)methane scaffolds catalyzed by CuO nanoparticles immobilized with triethylammonium bistriflimide ionic liquid","New Journal of Chemistry","2025","49","43","18817","18829","10.1039/D5NJ03257A","","","0.71073","MoKα","","0.0597","0.0474","","","0.1194","0.1308","","","","","","1.0679","","","","has coordinates","303866","2025-11-29","21:41:29",""
"7064043","10.835","0.0006","33.789","0.0019","10.7694","0.0006","90","","90","","90","","3942.7","0.4","150","2","150","2","","","","","","","","4","F m m 2","F 2 -2","42","","","","- H18 N9 O9 Rh -","- N9 O9 Rh -","- N108 O108 Rh12 -","12","0.75","","Bautina, Sofia; Vorobyeva, Sofia; Rudzis, Zakhar; Rudneva, Yuliya; Nadolinny, Vladimir; Plusnin, Pavel; Sukhikh, Taisiya; Zhurenok, Angelina; Kozlova, Ekaterina; Korenev, Sergey","Double complex salts based on [Rh(NH3)6]3+ as precursors for Rh–Nb and Rh–V alloy systems: synthesis, structure, and thermal properties","New Journal of Chemistry","2025","49","43","18753","18766","10.1039/D5NJ03210E","","","1.54178","CuKα","","0.0445","0.0443","","","0.129","0.1294","","","","","","1.067","","","","has coordinates,has disorder","303870","2025-11-29","21:43:02",""
"7064044","9.215","0.0003","13.8259","0.0005","16.4926","0.0006","90","","101.161","0.001","90","","2061.51","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H26 N6 Nb O17 Rh -","- C6 H26 N6 Nb O17 Rh -","- C24 H104 N24 Nb4 O68 Rh4 -","4","1","","Bautina, Sofia; Vorobyeva, Sofia; Rudzis, Zakhar; Rudneva, Yuliya; Nadolinny, Vladimir; Plusnin, Pavel; Sukhikh, Taisiya; Zhurenok, Angelina; Kozlova, Ekaterina; Korenev, Sergey","Double complex salts based on [Rh(NH3)6]3+ as precursors for Rh–Nb and Rh–V alloy systems: synthesis, structure, and thermal properties","New Journal of Chemistry","2025","49","43","18753","18766","10.1039/D5NJ03210E","","","1.54178","CuKα","","0.025","0.0229","","","0.0644","0.066","","","","","","1.059","","","","has coordinates","303870","2025-11-29","21:43:04",""
"7064045","11.6686","0.0007","9.69","0.0006","15.6308","0.0009","90","","91.646","0.002","90","","1766.63","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H48 N12 O28 Rh2 V2 -","- C10 H48 N12 O28 Rh2 V2 -","- C20 H96 N24 O56 Rh4 V4 -","2","0.5","","Bautina, Sofia; Vorobyeva, Sofia; Rudzis, Zakhar; Rudneva, Yuliya; Nadolinny, Vladimir; Plusnin, Pavel; Sukhikh, Taisiya; Zhurenok, Angelina; Kozlova, Ekaterina; Korenev, Sergey","Double complex salts based on [Rh(NH3)6]3+ as precursors for Rh–Nb and Rh–V alloy systems: synthesis, structure, and thermal properties","New Journal of Chemistry","2025","49","43","18753","18766","10.1039/D5NJ03210E","","","1.54178","CuKα","","0.0377","0.0366","","","0.0941","0.0952","","","","","","1.065","","","","has coordinates","303870","2025-11-29","21:43:04",""
"7064046","17.385","0.004","9.632","0.0019","21.886","0.004","90","","90","","90","","3664.9","1.3","220","2","220","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C176 H152 N8 O24 -","8","1","","Sivadas, Deepanjaly K.; Ravi, Sasikala; Padmanaban, Ramanathan; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi","Reversible fluorescence redox switching in activated carbonyl-functionalized fluorophores through the conversion of α-keto esters and α-hydroxy esters","New Journal of Chemistry","2025","49","37","16075","16085","10.1039/D5NJ01251A","","","0.63","synchrotron","","0.0498","0.0474","","","0.1382","0.1406","","","","","","1.076","","","","has coordinates","302385","2025-10-05","12:01:35",""
"7064047","13.865","0.003","11.371","0.002","11.072","0.002","90","","107","0.03","90","","1669.3","0.6","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 O3 -","- C24 H16 O3 -","- C96 H64 O12 -","4","1","","Sivadas, Deepanjaly K.; Ravi, Sasikala; Padmanaban, Ramanathan; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi","Reversible fluorescence redox switching in activated carbonyl-functionalized fluorophores through the conversion of α-keto esters and α-hydroxy esters","New Journal of Chemistry","2025","49","37","16075","16085","10.1039/D5NJ01251A","","","0.7","synchrotron","","0.0828","0.0588","","","0.1867","0.2024","","","","","","1.078","","","","has coordinates","302385","2025-10-05","12:01:38",""
"7064048","8.9055","0.0003","10.1484","0.0003","16.3042","0.0004","72.495","0.002","77.85","0.003","70.513","0.002","1314.81","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 Cl5 Fe N5 P3 -","- C21 H23 Cl5 Fe N5 P3 -","- C42 H46 Cl10 Fe2 N10 P6 -","2","1","","Cemaloğlu, Reşit; Uzunalioğlu, Neşe; Akbaş, Hüseyin; Asmafiliz, Nuran; Kılıç, Zeynel; Sabah, Büşra Nur; Açık, Leyla; Hökelek, Tuncer","Phosphorus–nitrogen compounds. Part 80. Design and synthesis of hybrid multiheterocyclic cyclotriphosphazene conjugates bearing unsymmetrical pendant arms: spectral and crystallographic characterization, bioactivity and structure–activity relationship (SAR) studies","New Journal of Chemistry","2025","49","36","15866","15884","10.1039/D5NJ02457A","","","0.71073","MoKα","","0.0238","0.022","","","0.0567","0.0577","","","","","","1.04","","","","has coordinates","302386","2025-10-05","12:04:09",""
"7064049","13.2055","0.0004","9.5292","0.0003","22.4175","0.0006","90","","96.788","0.003","90","","2801.2","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl5 Fe N5 P3 -","- C22 H25 Cl5 Fe N5 P3 -","- C88 H100 Cl20 Fe4 N20 P12 -","4","1","","Cemaloğlu, Reşit; Uzunalioğlu, Neşe; Akbaş, Hüseyin; Asmafiliz, Nuran; Kılıç, Zeynel; Sabah, Büşra Nur; Açık, Leyla; Hökelek, Tuncer","Phosphorus–nitrogen compounds. Part 80. Design and synthesis of hybrid multiheterocyclic cyclotriphosphazene conjugates bearing unsymmetrical pendant arms: spectral and crystallographic characterization, bioactivity and structure–activity relationship (SAR) studies","New Journal of Chemistry","2025","49","36","15866","15884","10.1039/D5NJ02457A","","","0.71073","MoKα","","0.0705","0.0406","","","0.0899","0.1029","","","","","","1.021","","","","has coordinates","302386","2025-10-05","12:04:11",""
"7064050","10.5699","0.0003","13.1131","0.0005","15.5271","0.0006","85.093","0.002","89.8","0.003","66.747","0.002","1968.98","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H55 Cl Fe N9 P3 -","- C37 H55 Cl Fe N9 P3 -","- C74 H110 Cl2 Fe2 N18 P6 -","2","1","","Cemaloğlu, Reşit; Uzunalioğlu, Neşe; Akbaş, Hüseyin; Asmafiliz, Nuran; Kılıç, Zeynel; Sabah, Büşra Nur; Açık, Leyla; Hökelek, Tuncer","Phosphorus–nitrogen compounds. Part 80. Design and synthesis of hybrid multiheterocyclic cyclotriphosphazene conjugates bearing unsymmetrical pendant arms: spectral and crystallographic characterization, bioactivity and structure–activity relationship (SAR) studies","New Journal of Chemistry","2025","49","36","15866","15884","10.1039/D5NJ02457A","","","0.71073","MoKα","","0.0974","0.0565","","","0.1442","0.1625","","","","","","1.075","","","","has coordinates","302386","2025-10-05","12:04:12",""
"7064051","8.1193","0.0003","17.2395","0.0007","15.7214","0.0005","90","","102.828","0.003","90","","2145.64","0.14","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","OH-SOpAD","","- C27 H23 N O3 S -","- C27 H23 N O3 S -","- C108 H92 N4 O12 S4 -","4","1","","Han, Yuanping; Liu, Hanrong; Xia, Yan; Li, Jie; Jia, Junhui","Intermolecular H-bond promoting diphenylsulfone derivatives for aggregation-induced blue-shifted thermally activated delayed fluorescence","New Journal of Chemistry","2025","49","43","18848","18854","10.1039/D5NJ03447G","","","0.71073","MoKα","","0.0537","0.0431","","","0.1027","0.1129","","","","","","1.092","","","","has coordinates","303865","2025-11-29","21:41:10",""
"7064052","8.17384","0.00017","17.3356","0.0004","15.9288","0.0004","90","","103.372","0.002","90","","2195.89","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 F N O2 S -","- C27 H22 F N O2 S -","- C108 H88 F4 N4 O8 S4 -","4","1","","Han, Yuanping; Liu, Hanrong; Xia, Yan; Li, Jie; Jia, Junhui","Intermolecular H-bond promoting diphenylsulfone derivatives for aggregation-induced blue-shifted thermally activated delayed fluorescence","New Journal of Chemistry","2025","49","43","18848","18854","10.1039/D5NJ03447G","","","1.54184","CuKα","","0.0569","0.05","","","0.1426","0.1515","","","","","","1.036","","","","has coordinates,has disorder","303865","2025-11-29","21:41:10",""
"7064053","14.9766","0.0005","26.9872","0.0009","17.1339","0.0006","90","","91.745","0.001","90","","6921.9","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H70 Au2 Cl2 O2 P2 -","- C88 H70 Au2 Cl2 O2 P2 -","- C352 H280 Au8 Cl8 O8 P8 -","4","1","","Atencio, Anyie P.; Sevillano, Alba; Lázaro, Ariadna; Freixa, Zoraida; Aguilà, David; Angurell, Inmaculada; Rodríguez, Laura","Structural and photophysical features of triphenylene–gold(i) phosphane complexes","New Journal of Chemistry","2025","49","43","18716","18724","10.1039/D5NJ03389F","","","0.72932","Synchrotron","","0.0639","0.0545","","","0.1619","0.1753","","","","","","1.025","","","","has coordinates","303864","2025-11-29","21:40:57",""
"7064054","9.6281","0.0007","17.4341","0.0016","18.5119","0.0019","106.545","0.003","96.139","0.002","91.231","0.002","2957.2","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38.5 H27 Au Cl P -","- C38.5 H27 Au Cl P -","- C154 H108 Au4 Cl4 P4 -","4","2","","Atencio, Anyie P.; Sevillano, Alba; Lázaro, Ariadna; Freixa, Zoraida; Aguilà, David; Angurell, Inmaculada; Rodríguez, Laura","Structural and photophysical features of triphenylene–gold(i) phosphane complexes","New Journal of Chemistry","2025","49","43","18716","18724","10.1039/D5NJ03389F","","","0.72932","Synchrotron","","0.0626","0.0439","","","0.102","0.1076","","","","","","1.056","","","","has coordinates","303864","2025-11-29","21:40:58",""
"7064055","10.007","0.0005","10.6634","0.0005","18.3089","0.0008","82.359","0.004","84.624","0.004","72.703","0.004","1845.77","0.16","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 F12 Mg N4 O2 -","- C38 H34 F12 Mg N4 O2 -","- C76 H68 F24 Mg2 N8 O4 -","2","1","","Werner, Daniel; Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","New examples of –C–F–Ae (Ae = alkaline earth) and –C–F–K bonding","New Journal of Chemistry","2025","49","43","18725","18734","10.1039/D5NJ03383G","","","0.71073","MoKα","","0.0675","0.0469","","","0.1094","0.1233","","","","","","1.028","","","","has coordinates,has disorder","303869","2025-11-29","21:42:43",""
"7064056","17.054","0.003","30.209","0.006","18.21","0.004","90","","92.92","0.03","90","","9369","3","100.15","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C332 H307 F96 N32 O29 Sr8 -","- C332 H307 F96 N32 O29 Sr8 -","- C332 H307 F96 N32 O29 Sr8 -","1","0.25","","Werner, Daniel; Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","New examples of –C–F–Ae (Ae = alkaline earth) and –C–F–K bonding","New Journal of Chemistry","2025","49","43","18725","18734","10.1039/D5NJ03383G","","","0.71073","Synchrotron","","0.0746","0.0631","","","0.174","0.1824","","","","","","1.086","","","","has coordinates,has disorder","303869","2025-11-29","21:42:44",""
"7064057","12.7354","0.0011","10.448","0.001","6.356","0.0006","90","","98.099","0.009","90","","837.29","0.14","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(N-(2,6-difluorophenyl)N-(acteyl)analide)potassium","","- C8 H6 F2 K N O -","- C8 H6 F2 K N O -","- C32 H24 F8 K4 N4 O4 -","4","1","","Werner, Daniel; Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","New examples of –C–F–Ae (Ae = alkaline earth) and –C–F–K bonding","New Journal of Chemistry","2025","49","43","18725","18734","10.1039/D5NJ03383G","","","0.71073","MoKα","","0.0539","0.0347","","","0.0732","0.081","","","","","","1.03","","","","has coordinates","303869","2025-11-29","21:42:44",""
"7064058","15.5521","0.0007","14.9796","0.0007","15.7547","0.0008","90","","96.394","0.001","90","","3647.5","0.3","100.15","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 F12 K2 N4 O2 -","- C34 H28 F12 K2 N4 O2 -","- C136 H112 F48 K8 N16 O8 -","4","1","","Werner, Daniel; Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","New examples of –C–F–Ae (Ae = alkaline earth) and –C–F–K bonding","New Journal of Chemistry","2025","49","43","18725","18734","10.1039/D5NJ03383G","","","0.71073","MoKα","","0.054","0.0351","","","0.0821","0.0903","","","","","","1.017","","","","has coordinates,has disorder","303869","2025-11-29","21:42:44",""
"7064059","9.956","0.002","15.433","0.003","20.121","0.004","68.56","0.03","82.93","0.03","89.89","0.03","2852.7","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 F12 N4 Sr -","- C30 H18 F12 N4 Sr -","- C120 H72 F48 N16 Sr4 -","4","2","","Werner, Daniel; Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","New examples of –C–F–Ae (Ae = alkaline earth) and –C–F–K bonding","New Journal of Chemistry","2025","49","43","18725","18734","10.1039/D5NJ03383G","","","0.71073","Synchrotron","","0.1436","0.0871","","","0.2246","0.2568","","","","","","1.03","","","","has coordinates","303869","2025-11-29","21:42:44",""
"7064060","11.9642","0.0009","19.7079","0.0014","16.3585","0.0012","90","","93.949","0.007","90","","3848","0.5","123","0.16","123","0.16","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(N,N'-bis(2-trifluoromethylphenyl)formamidinato)bis(tetrahydrofuran)calcium(II)","","- C38 H34 Ca F12 N4 O2 -","- C38 H34 Ca F12 N4 O2 -","- C152 H136 Ca4 F48 N16 O8 -","4","1","","Werner, Daniel; Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","New examples of –C–F–Ae (Ae = alkaline earth) and –C–F–K bonding","New Journal of Chemistry","2025","49","43","18725","18734","10.1039/D5NJ03383G","","","0.7107","MoKα","","0.0941","0.05","","","0.0931","0.1158","","","","","","1.024","","","","has coordinates","303869","2025-11-29","21:42:44",""
"7064061","11.451","0.002","13.177","0.003","16.255","0.003","95.34","0.03","109.99","0.03","92.97","0.03","2285.8","0.9","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H27 F18 K3 N6 -","- C45 H27 F18 K3 N6 -","- C90 H54 F36 K6 N12 -","2","1","","Werner, Daniel; Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","New examples of –C–F–Ae (Ae = alkaline earth) and –C–F–K bonding","New Journal of Chemistry","2025","49","43","18725","18734","10.1039/D5NJ03383G","","","0.7107","MoKα","","0.1327","0.0933","","","0.259","0.2949","","","","","","1.057","","","","has coordinates","303869","2025-11-29","21:42:44",""
"7064062","35.146","0.005","35.146","0.005","21.634","0.004","90","","90","","120","","23143","6","100.15","","100.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C174 H168 Ba19 F80 N18 O24 -","- C174 H168 Ba19 F80 N18 O24 -","- C522 H504 Ba57 F240 N54 O72 -","3","0.166667","","Werner, Daniel; Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","New examples of –C–F–Ae (Ae = alkaline earth) and –C–F–K bonding","New Journal of Chemistry","2025","49","43","18725","18734","10.1039/D5NJ03383G","","","0.71073","Synchrotron","","0.0722","0.046","","","0.1254","0.137","","","","","","1.048","","","","has coordinates","303869","2025-11-29","21:42:44",""
"7064063","10.2195","0.0007","13.0429","0.0009","13.6207","0.0009","90","","90","","90","","1815.5","0.2","150","2","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 Al N2 O -","- C19 H29 Al N2 O -","- C76 H116 Al4 N8 O4 -","4","1","","Chao, Yu-Chieh; Hung, Yu-Hsuan; Su, Yu-Chia; Ko, Bao-Tsan; Cheng, Ban-Jing; Hu, Ching-Han; Ting, Chien-Ling; Liu, Guan-Lin; Dehury, Budheswar; Huang, Jui-Hsien; Datta, Amitabha","Synthesis, structure and DFT calculation of bi- and tridentate ketiminate ligand-assisted aluminum complexes: potential catalyst for styrene oxide–CO2 cycloaddition reaction","New Journal of Chemistry","2025","49","44","19269","19280","10.1039/D5NJ03282B","","","0.71073","MoKα","","0.0365","0.0309","","","0.0744","0.0779","","","","","","1.052","","","","has coordinates","303854","2025-11-29","21:38:33",""
"7064064","13.078","0.0011","8.5882","0.0006","17.1374","0.0015","90","","107.316","0.003","90","","1837.6","0.3","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Al N O2 -","- C20 H24 Al N O2 -","- C80 H96 Al4 N4 O8 -","4","1","","Chao, Yu-Chieh; Hung, Yu-Hsuan; Su, Yu-Chia; Ko, Bao-Tsan; Cheng, Ban-Jing; Hu, Ching-Han; Ting, Chien-Ling; Liu, Guan-Lin; Dehury, Budheswar; Huang, Jui-Hsien; Datta, Amitabha","Synthesis, structure and DFT calculation of bi- and tridentate ketiminate ligand-assisted aluminum complexes: potential catalyst for styrene oxide–CO2 cycloaddition reaction","New Journal of Chemistry","2025","49","44","19269","19280","10.1039/D5NJ03282B","","","0.71073","MoKα","","0.0578","0.0471","","","0.1342","0.1516","","","","","","1.01","","","","has coordinates","303854","2025-11-29","21:38:34",""
"7064065","11.4459","0.0006","12.9358","0.0007","13.0353","0.0007","118.024","0.002","92.605","0.002","108.159","0.002","1575.96","0.15","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H72 Al2 N2 O8 -","- C60 H72 Al2 N2 O8 -","- C60 H72 Al2 N2 O8 -","1","0.5","","Chao, Yu-Chieh; Hung, Yu-Hsuan; Su, Yu-Chia; Ko, Bao-Tsan; Cheng, Ban-Jing; Hu, Ching-Han; Ting, Chien-Ling; Liu, Guan-Lin; Dehury, Budheswar; Huang, Jui-Hsien; Datta, Amitabha","Synthesis, structure and DFT calculation of bi- and tridentate ketiminate ligand-assisted aluminum complexes: potential catalyst for styrene oxide–CO2 cycloaddition reaction","New Journal of Chemistry","2025","49","44","19269","19280","10.1039/D5NJ03282B","","","0.71073","MoKα","","0.0801","0.0692","","","0.2036","0.2166","","","","","","1.105","","","","has coordinates","303854","2025-11-29","21:38:34",""
"7064066","10.0565","0.0003","17.3648","0.0005","16.3601","0.0006","90","","103.934","0.001","90","","2772.88","0.15","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 Al N O3 -","- C31 H38 Al N O3 -","- C124 H152 Al4 N4 O12 -","4","1","","Chao, Yu-Chieh; Hung, Yu-Hsuan; Su, Yu-Chia; Ko, Bao-Tsan; Cheng, Ban-Jing; Hu, Ching-Han; Ting, Chien-Ling; Liu, Guan-Lin; Dehury, Budheswar; Huang, Jui-Hsien; Datta, Amitabha","Synthesis, structure and DFT calculation of bi- and tridentate ketiminate ligand-assisted aluminum complexes: potential catalyst for styrene oxide–CO2 cycloaddition reaction","New Journal of Chemistry","2025","49","44","19269","19280","10.1039/D5NJ03282B","","","0.71073","MoKα","","0.0394","0.0346","","","0.0913","0.0951","","","","","","1.047","","","","has coordinates","303854","2025-11-29","21:38:34",""
"7064067","18.434","0.003","18.434","0.003","9.03","0.0013","90","","90","","90","","3068.5","0.8","150","2","150.15","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C144 H152 N8 O16 -","8","1","","Chao, Yu-Chieh; Hung, Yu-Hsuan; Su, Yu-Chia; Ko, Bao-Tsan; Cheng, Ban-Jing; Hu, Ching-Han; Ting, Chien-Ling; Liu, Guan-Lin; Dehury, Budheswar; Huang, Jui-Hsien; Datta, Amitabha","Synthesis, structure and DFT calculation of bi- and tridentate ketiminate ligand-assisted aluminum complexes: potential catalyst for styrene oxide–CO2 cycloaddition reaction","New Journal of Chemistry","2025","49","44","19269","19280","10.1039/D5NJ03282B","","","0.71073","MoKα","","0.1711","0.1236","","","0.2932","0.3372","","","","","","1.092","","","","has coordinates,has disorder","303854","2025-11-29","21:38:34",""
"7064068","7.6637","0.0003","12.4519","0.0004","32.1835","0.0011","90","","90","","90","","3071.2","0.19","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C136 H192 N16 O8 -","8","1","","Chao, Yu-Chieh; Hung, Yu-Hsuan; Su, Yu-Chia; Ko, Bao-Tsan; Cheng, Ban-Jing; Hu, Ching-Han; Ting, Chien-Ling; Liu, Guan-Lin; Dehury, Budheswar; Huang, Jui-Hsien; Datta, Amitabha","Synthesis, structure and DFT calculation of bi- and tridentate ketiminate ligand-assisted aluminum complexes: potential catalyst for styrene oxide–CO2 cycloaddition reaction","New Journal of Chemistry","2025","49","44","19269","19280","10.1039/D5NJ03282B","","","0.71073","MoKα","","0.0842","0.0465","","","0.1139","0.1362","","","","","","1.02","","","","has coordinates","303854","2025-11-29","21:38:34",""
"7064069","11.5405","0.0007","9.9104","0.0006","25.9429","0.0016","90","","90","","90","","2967.1","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18.67 H18.67 B2.67 F5.33 N5.33 O1.33 -","- C18.6667 H18.6667 B2.66667 F5.33333 N5.33333 O1.33333 -","- C112 H112 B16 F32 N32 O8 -","6","0.75","","Prasannan, Dijo; Nemykin, Victor N.","Unexpected formation of α-formylated BOPHY in the reaction with copper salts","New Journal of Chemistry","2025","49","45","19649","19655","10.1039/D5NJ02748A","","","0.71073","MoKα","","0.0658","0.0559","","","0.1418","0.1477","","","","","","1.128","","","","has coordinates","303894","2025-11-29","21:52:16",""
"7064070","7.5311","0.0004","20.679","0.0012","9.2357","0.0004","90","","99.939","0.002","90","","1416.74","0.13","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 B F2 N4 O -","- C14 H15 B F2 N4 O -","- C56 H60 B4 F8 N16 O4 -","4","1","","Prasannan, Dijo; Nemykin, Victor N.","Unexpected formation of α-formylated BOPHY in the reaction with copper salts","New Journal of Chemistry","2025","49","45","19649","19655","10.1039/D5NJ02748A","","","0.71073","MoKα","","0.0676","0.0453","","","0.105","0.1171","","","","","","1.042","","","","has coordinates","303894","2025-11-29","21:52:17",""
"7064071","9.2694","0.0007","32.322","0.002","7.3866","0.0004","90","","112.807","0.002","90","","2040","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 B2 F4 N5 O -","- C21 H21 B2 F4 N5 O -","- C84 H84 B8 F16 N20 O4 -","4","1","","Prasannan, Dijo; Nemykin, Victor N.","Unexpected formation of α-formylated BOPHY in the reaction with copper salts","New Journal of Chemistry","2025","49","45","19649","19655","10.1039/D5NJ02748A","","","0.71073","MoKα","","0.1457","0.1121","","","0.1849","0.197","","","","","","1.226","","","","has coordinates","303894","2025-11-29","21:52:17",""
"7064072","13.1933","0.0014","13.386","0.0013","13.764","0.0014","98.094","0.006","93.49","0.006","118.563","0.005","2090.6","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 B2 Br2 F4 N10 -","- C42 H38 B2 Br2 F4 N10 -","- C84 H76 B4 Br4 F8 N20 -","2","1","","Prasannan, Dijo; Nemykin, Victor N.","Unexpected formation of α-formylated BOPHY in the reaction with copper salts","New Journal of Chemistry","2025","49","45","19649","19655","10.1039/D5NJ02748A","","x-ray","1.54178","CuKα","","0.133","0.0957","","","0.2081","0.2286","","","","","","1.092","","","","has coordinates,has disorder","303894","2025-11-29","21:52:17",""
"7064073","16.4025","0.0019","6.7909","0.0008","12.6068","0.0015","90","","90","","90","","1404.2","0.3","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H15 B F2 N4 O -","- C14 H15 B F2 N4 O -","- C56 H60 B4 F8 N16 O4 -","4","0.5","","Prasannan, Dijo; Nemykin, Victor N.","Unexpected formation of α-formylated BOPHY in the reaction with copper salts","New Journal of Chemistry","2025","49","45","19649","19655","10.1039/D5NJ02748A","","","0.71073","MoKα","","0.0936","0.0676","","","0.1291","0.1383","","","","","","1.13","","","","has coordinates,has disorder","303894","2025-11-29","21:52:17",""
"7064074","5.6125","0.0002","8.593","0.0003","12.7335","0.0004","90","","94.852","0.004","90","","611.91","0.04","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C14 H11 I -","- C14 H11 I -","- C28 H22 I2 -","2","0.5","","Behera, Papita; Dora, A. Smitarani; Rout, Laxmidhar","CuMoO4: a heterogeneous bimetallic nanocatalyst for the C–H activation of alkenes with iodoarenes","New Journal of Chemistry","2025","49","43","18692","18697","10.1039/D5NJ03598H","","x-ray","0.71073","MoKα","","0.0986","0.0845","","","0.1504","0.1653","","","","","","1.164","","","","has coordinates,has disorder","303868","2025-11-29","21:42:09",""
"7064075","7.6825","0.0003","17.1255","0.0004","12.8014","0.0004","90","","107.101","0.004","90","","1609.77","0.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 F3 -","- C21 H15 F3 -","- C84 H60 F12 -","4","1","","Behera, Papita; Dora, A. Smitarani; Rout, Laxmidhar","CuMoO4: a heterogeneous bimetallic nanocatalyst for the C–H activation of alkenes with iodoarenes","New Journal of Chemistry","2025","49","43","18692","18697","10.1039/D5NJ03598H","","x-ray","0.71073","MoKα","","0.0505","0.0387","","","0.1001","0.1069","","","","","","1.042","","","","has coordinates","303868","2025-11-29","21:42:13",""
"7064076","8.889","0.0004","16.3118","0.0006","30.9535","0.0011","90","","90.224","0.002","90","","4488.1","0.3","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21.5 H27 Au Cl2 N2 O -","- C21.5 H27 Au Cl2 N2 O -","- C172 H216 Au8 Cl16 N16 O8 -","8","2","","Isaeva, Dilshodakhon K.; Topchiy, Maxim A.; Drokin, Egor A.; Rasskazova, Mariya A.; Minaeva, Lidiya I.; Smol’yakov, Alexander F.; Asachenko, Andrey F.","Expanded ring 1,3,5-oxadiazinan-4-ylidene complexes: synthesis and catalysis","New Journal of Chemistry","2025","49","46","20073","20080","10.1039/D5NJ03879K","","","0.71073","MoKα","","0.0311","0.0225","","","0.0452","0.0463","","","","","","1.041","","","","has coordinates","303881","2025-11-29","21:46:08",""
"7064077","9.1103","0.0011","13.9656","0.0017","15.3213","0.0018","90","","100.211","0.005","90","","1918.5","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 Cl N2 O -","- C21 H27 Cl N2 O -","- C84 H108 Cl4 N8 O4 -","4","1","","Isaeva, Dilshodakhon K.; Topchiy, Maxim A.; Drokin, Egor A.; Rasskazova, Mariya A.; Minaeva, Lidiya I.; Smol’yakov, Alexander F.; Asachenko, Andrey F.","Expanded ring 1,3,5-oxadiazinan-4-ylidene complexes: synthesis and catalysis","New Journal of Chemistry","2025","49","46","20073","20080","10.1039/D5NJ03879K","","","0.71073","MoKα","","0.0629","0.0421","","","0.102","0.1107","","","","","","1.021","","","","has coordinates","303881","2025-11-29","21:46:09",""
"7064078","8.2856","0.0003","15.7171","0.0005","23.3139","0.0009","90","","90","","90","","3036.07","0.19","296.15","","296.15","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C28 H40 Au Cl3 N2 O -","- C28 H40 Au Cl3 N2 O -","- C112 H160 Au4 Cl12 N8 O4 -","4","0.5","","Isaeva, Dilshodakhon K.; Topchiy, Maxim A.; Drokin, Egor A.; Rasskazova, Mariya A.; Minaeva, Lidiya I.; Smol’yakov, Alexander F.; Asachenko, Andrey F.","Expanded ring 1,3,5-oxadiazinan-4-ylidene complexes: synthesis and catalysis","New Journal of Chemistry","2025","49","46","20073","20080","10.1039/D5NJ03879K","","","0.71073","MoKα","","0.0258","0.0219","","","0.047","0.048","","","","","","1.15","","","","has coordinates,has disorder","303881","2025-11-29","21:46:09",""
"7064079","8.2386","0.0005","15.6144","0.0009","22.9959","0.0014","90","","90","","90","","2958.2","0.3","120","","120","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C28 H40 Ag Cl3 N2 O -","- C28 H40 Ag Cl3 N2 O -","- C112 H160 Ag4 Cl12 N8 O4 -","4","0.5","","Isaeva, Dilshodakhon K.; Topchiy, Maxim A.; Drokin, Egor A.; Rasskazova, Mariya A.; Minaeva, Lidiya I.; Smol’yakov, Alexander F.; Asachenko, Andrey F.","Expanded ring 1,3,5-oxadiazinan-4-ylidene complexes: synthesis and catalysis","New Journal of Chemistry","2025","49","46","20073","20080","10.1039/D5NJ03879K","","","0.71073","MoKα","","0.032","0.0221","","","0.0528","0.0539","","","","","","1.055","","","","has coordinates,has disorder","303881","2025-11-29","21:46:09",""
"7064080","20.1968","0.0019","11.8241","0.0009","12.3109","0.0009","90","","90","","90","","2940","0.4","120","","120","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H43 Cl N2 O Pd -","- C30 H43 Cl N2 O Pd -","- C120 H172 Cl4 N8 O4 Pd4 -","4","1","","Isaeva, Dilshodakhon K.; Topchiy, Maxim A.; Drokin, Egor A.; Rasskazova, Mariya A.; Minaeva, Lidiya I.; Smol’yakov, Alexander F.; Asachenko, Andrey F.","Expanded ring 1,3,5-oxadiazinan-4-ylidene complexes: synthesis and catalysis","New Journal of Chemistry","2025","49","46","20073","20080","10.1039/D5NJ03879K","","","0.71073","MoKα","","0.091","0.0739","","","0.1865","0.1984","","","","","","1.043","","","","has coordinates","303881","2025-11-29","21:46:09",""
"7064081","10.818","0.005","17.701","0.008","15.614","0.008","90","","105.149","0.015","90","","2886","2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 Cl3 N2 O -","- C28 H41 Cl3 N2 O -","- C112 H164 Cl12 N8 O4 -","4","1","","Isaeva, Dilshodakhon K.; Topchiy, Maxim A.; Drokin, Egor A.; Rasskazova, Mariya A.; Minaeva, Lidiya I.; Smol’yakov, Alexander F.; Asachenko, Andrey F.","Expanded ring 1,3,5-oxadiazinan-4-ylidene complexes: synthesis and catalysis","New Journal of Chemistry","2025","49","46","20073","20080","10.1039/D5NJ03879K","","","0.71073","MoKα","","0.214","0.0846","","","0.1783","0.2241","","","","","","0.894","","","","has coordinates","303881","2025-11-29","21:46:09",""
"7064082","15.1124","0.001","14.6094","0.001","17.3407","0.0012","90","","95.704","0.002","90","","3809.6","0.4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H57 Cl N2 O2 Pd -","- C40 H57 Cl N2 O2 Pd -","- C160 H228 Cl4 N8 O8 Pd4 -","4","1","","Isaeva, Dilshodakhon K.; Topchiy, Maxim A.; Drokin, Egor A.; Rasskazova, Mariya A.; Minaeva, Lidiya I.; Smol’yakov, Alexander F.; Asachenko, Andrey F.","Expanded ring 1,3,5-oxadiazinan-4-ylidene complexes: synthesis and catalysis","New Journal of Chemistry","2025","49","46","20073","20080","10.1039/D5NJ03879K","","","0.71073","MoKα","","0.0285","0.0247","","","0.0643","0.0658","","","","","","1.042","","","","has coordinates,has disorder","303881","2025-11-29","21:46:09",""
"7064083","4.5417","0.0018","15.119","0.003","24.849","0.004","90","","90","","90","","1706.3","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Cl N3 O -","- C20 H12 Cl N3 O -","- C80 H48 Cl4 N12 O4 -","4","1","","Salamanca-Perdigón, Kevin; Lozano, Johan D.; Hurtado-Rodríguez, Diana; Becerra, Diana; Rojas, Hugo; Macías, Mario A.; Castillo, Juan-Carlos","Cs2CO3-mediated synthesis of 2-alkoxy-3-cyanopyridines: integrated crystallographic, photophysical, and DFT analyses","New Journal of Chemistry","2025","49","42","18369","18383","10.1039/D5NJ03110A","","","1.54184","CuKα","","0.1026","0.0842","","","0.2085","0.2457","","","","","","1.016","","","","has coordinates","303050","2025-10-28","12:40:28",""
"7064084","8.7831","0.0007","17.0587","0.0012","25.4352","0.0019","90","","90","","90","","3810.9","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H17 Cl N2 O3 -","- C22 H17 Cl N2 O3 -","- C176 H136 Cl8 N16 O24 -","8","1","","Salamanca-Perdigón, Kevin; Lozano, Johan D.; Hurtado-Rodríguez, Diana; Becerra, Diana; Rojas, Hugo; Macías, Mario A.; Castillo, Juan-Carlos","Cs2CO3-mediated synthesis of 2-alkoxy-3-cyanopyridines: integrated crystallographic, photophysical, and DFT analyses","New Journal of Chemistry","2025","49","42","18369","18383","10.1039/D5NJ03110A","","","1.54184","CuKα","","0.0454","0.041","","","0.1116","0.1186","","","","","","1.084","","","","has coordinates","303050","2025-10-28","12:40:41",""
"7064085","14.3224","0.0012","7.5836","0.0007","18.3159","0.0015","90","","99.351","0.008","90","","1963","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Cl N2 O -","- C25 H17 Cl N2 O -","- C100 H68 Cl4 N8 O4 -","4","1","","Salamanca-Perdigón, Kevin; Lozano, Johan D.; Hurtado-Rodríguez, Diana; Becerra, Diana; Rojas, Hugo; Macías, Mario A.; Castillo, Juan-Carlos","Cs2CO3-mediated synthesis of 2-alkoxy-3-cyanopyridines: integrated crystallographic, photophysical, and DFT analyses","New Journal of Chemistry","2025","49","42","18369","18383","10.1039/D5NJ03110A","","","1.54184","CuKα","","0.0456","0.042","","","0.1188","0.1247","","","","","","1.052","","","","has coordinates","303050","2025-10-28","12:40:42",""
"7064086","6.5726","0.0003","16.3198","0.0009","24.6147","0.0013","90","","90","","90","","2640.3","0.2","100","0.1","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Cl N O2 -","- C15 H14 Cl N O2 -","- C120 H112 Cl8 N8 O16 -","8","1","","Panja, Anangamohan; Jagličić, Zvonko; Jana, Narayan Ch.; Contesso, Scarlette; Brandão, Paula; Aravena, Daniel","Exploring magnetic anisotropy and exchange coupling in FeIII2DyIII heterotrimetallic assemblies displaying slow relaxation of magnetization","New Journal of Chemistry","2025","49","45","19605","19615","10.1039/D5NJ03857J","","","0.71073","MoKα","","0.049","0.0354","","","0.0837","0.0899","","","","","","1.04","","","","has coordinates","303893","2025-11-29","21:52:00",""
"7064087","16.6187","0.0005","27.2829","0.0008","18.613","0.0005","90","","105.229","0.003","90","","8142.9","0.4","149.98","0.1","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H104 Dy Fe2 N5 O25 -","- C76 H86 Dy Fe2 N5 O16 -","- C304 H344 Dy4 Fe8 N20 O64 -","4","1","","Panja, Anangamohan; Jagličić, Zvonko; Jana, Narayan Ch.; Contesso, Scarlette; Brandão, Paula; Aravena, Daniel","Exploring magnetic anisotropy and exchange coupling in FeIII2DyIII heterotrimetallic assemblies displaying slow relaxation of magnetization","New Journal of Chemistry","2025","49","45","19605","19615","10.1039/D5NJ03857J","","","0.71073","MoKα","","0.066","0.0431","","","0.0987","0.1096","","","","","","1.033","","","","has coordinates,has disorder","303893","2025-11-29","21:52:01",""
"7064088","17.9305","0.0006","12.5854","0.0003","25.864","0.0007","90","","104.547","0.003","90","","5649.4","0.3","149.99","0.1","150.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C60 H60 Dy Fe2 N5 O19 -","- C60 H60 Dy Fe2 N5 O19 -","- C240 H240 Dy4 Fe8 N20 O76 -","4","0.5","","Panja, Anangamohan; Jagličić, Zvonko; Jana, Narayan Ch.; Contesso, Scarlette; Brandão, Paula; Aravena, Daniel","Exploring magnetic anisotropy and exchange coupling in FeIII2DyIII heterotrimetallic assemblies displaying slow relaxation of magnetization","New Journal of Chemistry","2025","49","45","19605","19615","10.1039/D5NJ03857J","","","1.54184","CuKα","","0.041","0.0338","","","0.0784","0.0821","","","","","","1.012","","","","has coordinates,has disorder","303893","2025-11-29","21:52:01",""
"7064089","15.5272","0.0016","18.8507","0.0019","25.889","0.003","99.325","0.004","91.237","0.004","106.046","0.004","7168.6","1.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H65 Cl5 Dy Fe2 N4 O18.5 -","- C66 H65 Cl5 Dy Fe2 N4 O18.5 -","- C264 H260 Cl20 Dy4 Fe8 N16 O74 -","4","2","","Panja, Anangamohan; Jagličić, Zvonko; Jana, Narayan Ch.; Contesso, Scarlette; Brandão, Paula; Aravena, Daniel","Exploring magnetic anisotropy and exchange coupling in FeIII2DyIII heterotrimetallic assemblies displaying slow relaxation of magnetization","New Journal of Chemistry","2025","49","45","19605","19615","10.1039/D5NJ03857J","","","0.71073","MoKα","","0.0617","0.0434","","","0.1002","0.115","","","","","","1.101","","","","has coordinates,has disorder","303893","2025-11-29","21:52:01",""
"7064090","15.7938","0.0006","9.9184","0.0004","27.8711","0.0009","90","","91.812","0.003","90","","4363.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H50 Cl2 N6 Pd2 -","- C45 H50 Cl2 N6 Pd2 -","- C180 H200 Cl8 N24 Pd8 -","4","1","","Campos-Dominguez, Emmanuel; Ruiz-Mendoza, Francisco J.; Rendón-Nava, David; Flores-Jarillo, Mariana; Álvarez-Hernández, Alejandro; Mendoza-Espinosa, Daniel","Preparation and applications of metal complexes supported by fluorene- and anthrone-functionalized (bis)mesoionic 1,2,3-triazol-5-ylidenes","New Journal of Chemistry","2025","49","46","19963","19972","10.1039/D5NJ03832D","","","0.71073","MoKα","","0.0672","0.0395","","","0.0868","0.0993","","","","","","1.068","","","","has coordinates,has disorder","303883","2025-11-29","21:49:25",""
"7064091","11.994","0.0007","12.5245","0.001","17.384","0.0011","110.939","0.007","105.077","0.005","96.116","0.005","2296.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H49.5 I2 N8.5 -","- C39 H42 I2 N6 -","- C78 H84 I4 N12 -","2","1","","Campos-Dominguez, Emmanuel; Ruiz-Mendoza, Francisco J.; Rendón-Nava, David; Flores-Jarillo, Mariana; Álvarez-Hernández, Alejandro; Mendoza-Espinosa, Daniel","Preparation and applications of metal complexes supported by fluorene- and anthrone-functionalized (bis)mesoionic 1,2,3-triazol-5-ylidenes","New Journal of Chemistry","2025","49","46","19963","19972","10.1039/D5NJ03832D","","x-ray","0.71073","MoKα","","0.1062","0.0615","","","0.1415","0.1757","","","","","","1.063","","","","has coordinates","303883","2025-11-29","21:49:26",""
"7064092","8.053","0.0003","12.4053","0.0005","15.743","0.0006","85.589","0.003","89.725","0.003","88.001","0.003","1567.11","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H36 N6 O -","- C38 H36 N6 O -","- C76 H72 N12 O2 -","2","1","","Campos-Dominguez, Emmanuel; Ruiz-Mendoza, Francisco J.; Rendón-Nava, David; Flores-Jarillo, Mariana; Álvarez-Hernández, Alejandro; Mendoza-Espinosa, Daniel","Preparation and applications of metal complexes supported by fluorene- and anthrone-functionalized (bis)mesoionic 1,2,3-triazol-5-ylidenes","New Journal of Chemistry","2025","49","46","19963","19972","10.1039/D5NJ03832D","","x-ray","0.71073","MoKα","","0.0977","0.0573","","","0.1374","0.1571","","","","","","1.028","","","","has coordinates","303883","2025-11-29","21:49:27",""
"7064093","15.6174","0.0013","8.161","0.0006","24.7494","0.0019","90","","101.275","0.008","90","","3093.5","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C37 H36 N6 -","- C37 H36 N6 -","- C148 H144 N24 -","4","0.5","","Campos-Dominguez, Emmanuel; Ruiz-Mendoza, Francisco J.; Rendón-Nava, David; Flores-Jarillo, Mariana; Álvarez-Hernández, Alejandro; Mendoza-Espinosa, Daniel","Preparation and applications of metal complexes supported by fluorene- and anthrone-functionalized (bis)mesoionic 1,2,3-triazol-5-ylidenes","New Journal of Chemistry","2025","49","46","19963","19972","10.1039/D5NJ03832D","","x-ray","0.71073","MoKα","","0.0647","0.0459","","","0.121","0.1348","","","","","","1.029","","","","has coordinates","303883","2025-11-29","21:49:27",""
"7064094","18.7032","0.0005","11.9742","0.0003","20.567","0.0006","90","","109.161","0.003","90","","4350.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H47 I2 N7 O2 -","- C42 H47 I2 N7 O2 -","- C168 H188 I8 N28 O8 -","4","1","","Campos-Dominguez, Emmanuel; Ruiz-Mendoza, Francisco J.; Rendón-Nava, David; Flores-Jarillo, Mariana; Álvarez-Hernández, Alejandro; Mendoza-Espinosa, Daniel","Preparation and applications of metal complexes supported by fluorene- and anthrone-functionalized (bis)mesoionic 1,2,3-triazol-5-ylidenes","New Journal of Chemistry","2025","49","46","19963","19972","10.1039/D5NJ03832D","","x-ray","0.71073","","","0.0457","0.036","","","0.0909","0.1016","","","","","","1.1","","","","has coordinates","303883","2025-11-29","21:49:27",""
"7064095","6.6646","0.0003","11.2132","0.0004","12.7701","0.0005","73.514","0.003","80.003","0.003","83.314","0.003","898.92","0.06","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C42 H42 N2 O6 S2 -","2","1","","Mizuno, Shota; Suzuki, Haruka; Kato, Kunihiko; Kubota, Yasuhiro; Inuzuka, Toshiyasu; Ban, Takayuki; Funabiki, Kazumasa","Counteranion-controlled aggregation-induced emission in 10H-pyrido[1,2-a]-5-indolium salts: structure–property relationships and anion–π+ interactions","New Journal of Chemistry","2025","49","45","19479","19488","10.1039/D5NJ03620H","","x-ray","1.54184","CuKα","","0.0642","0.0531","","","0.1341","0.1429","","","","","","1.033","","","","has coordinates","303892","2025-11-29","21:51:37",""
"7064096","6.8058","0.0003","10.8808","0.0004","11.4591","0.0003","101.963","0.003","99.904","0.003","101.556","0.003","792.88","0.05","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H14 F3 N O3 S -","- C15 H14 F3 N O3 S -","- C30 H28 F6 N2 O6 S2 -","2","2","","Mizuno, Shota; Suzuki, Haruka; Kato, Kunihiko; Kubota, Yasuhiro; Inuzuka, Toshiyasu; Ban, Takayuki; Funabiki, Kazumasa","Counteranion-controlled aggregation-induced emission in 10H-pyrido[1,2-a]-5-indolium salts: structure–property relationships and anion–π+ interactions","New Journal of Chemistry","2025","49","45","19479","19488","10.1039/D5NJ03620H","","","1.54184","CuKα","","0.0798","0.0645","","","0.1879","0.2156","","","","","","1.091","","","","has coordinates","303892","2025-11-29","21:51:38",""
"7064097","17.5691","0.0005","17.3369","0.0005","20.5092","0.0006","90","","90","","90","","6247","0.3","99.9","0.4","99.9","0.4","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H36 B Cl2 N -","- C39 H36 B Cl2 N -","- C312 H288 B8 Cl16 N8 -","8","1","","Mizuno, Shota; Suzuki, Haruka; Kato, Kunihiko; Kubota, Yasuhiro; Inuzuka, Toshiyasu; Ban, Takayuki; Funabiki, Kazumasa","Counteranion-controlled aggregation-induced emission in 10H-pyrido[1,2-a]-5-indolium salts: structure–property relationships and anion–π+ interactions","New Journal of Chemistry","2025","49","45","19479","19488","10.1039/D5NJ03620H","","x-ray","1.54184","CuKα","","0.0588","0.0493","","","0.1307","0.1415","","","","","","1.066","","","","has coordinates","303892","2025-11-29","21:51:38",""
"7064098","10.1711","0.0002","12.3512","0.0003","16.3633","0.0003","98.57","0.002","101.164","0.002","112.216","0.002","1810.28","0.08","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","","","- C77 H29 B2 Cl3 F40 N2 -","- C77 H29 B2 Cl3 F40 N2 -","- C77 H29 B2 Cl3 F40 N2 -","1","1","","Mizuno, Shota; Suzuki, Haruka; Kato, Kunihiko; Kubota, Yasuhiro; Inuzuka, Toshiyasu; Ban, Takayuki; Funabiki, Kazumasa","Counteranion-controlled aggregation-induced emission in 10H-pyrido[1,2-a]-5-indolium salts: structure–property relationships and anion–π+ interactions","New Journal of Chemistry","2025","49","45","19479","19488","10.1039/D5NJ03620H","","x-ray","1.54184","CuKα","","0.0544","0.0479","","","0.1118","0.1171","","","","","","1.061","","","","has coordinates,has disorder","303892","2025-11-29","21:51:38",""
"7064099","6.3465","0.0001","12.6838","0.0001","16.3499","0.0001","90","","90","","90","","1316.13","0.02","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 B F4 N -","- C14 H14 B F4 N -","- C56 H56 B4 F16 N4 -","4","1","","Mizuno, Shota; Suzuki, Haruka; Kato, Kunihiko; Kubota, Yasuhiro; Inuzuka, Toshiyasu; Ban, Takayuki; Funabiki, Kazumasa","Counteranion-controlled aggregation-induced emission in 10H-pyrido[1,2-a]-5-indolium salts: structure–property relationships and anion–π+ interactions","New Journal of Chemistry","2025","49","45","19479","19488","10.1039/D5NJ03620H","","x-ray","1.54184","CuKα","","0.0258","0.0252","","","0.0624","0.0627","","","","","","1.048","","","","has coordinates","303892","2025-11-29","21:51:38",""
"7064100","17.8202","0.0002","7.3218","0.0001","57.3725","0.0009","90","","97.864","0.001","90","","7415.33","0.18","299","2","299.39","0.17","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N7 Se -","- C24 H23 N7 Se -","- C288 H276 N84 Se12 -","12","3","","Yanbaeva, Margarita; Steinke, Tim; Engelage, Elric; Weiss, Robert; Huber, Stefan M.","“Anti-electrostatic” (inter-anion) chalcogen bonding interactions","New Journal of Chemistry","2025","49","44","19086","19090","10.1039/D5NJ03660G","","x-ray","1.54184","CuKα","","0.0759","0.0491","","","0.1249","0.1426","","","","","","1.024","","","","has coordinates","303852","2025-11-29","21:38:01",""
"7064101","37.3563","0.0003","7.401","","36.7268","0.0003","90","","111.001","0.001","90","","9479.52","0.13","170","2","170","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24 H23 N7 Se -","- C24 H23 N7 Se -","- C384 H368 N112 Se16 -","16","2","","Yanbaeva, Margarita; Steinke, Tim; Engelage, Elric; Weiss, Robert; Huber, Stefan M.","“Anti-electrostatic” (inter-anion) chalcogen bonding interactions","New Journal of Chemistry","2025","49","44","19086","19090","10.1039/D5NJ03660G","","x-ray","1.54184","CuKα","","0.0281","0.0271","","","0.0754","0.0761","","","","","","1.041","","","","has coordinates","303852","2025-11-29","21:38:02",""
"7064102","11.43579","0.00019","17.96728","0.00019","24.3438","0.0003","90","","95.5324","0.0013","90","","4978.62","0.12","299","2","299.22","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N7 Se -","- C24 H23 N7 Se -","- C192 H184 N56 Se8 -","8","2","","Yanbaeva, Margarita; Steinke, Tim; Engelage, Elric; Weiss, Robert; Huber, Stefan M.","“Anti-electrostatic” (inter-anion) chalcogen bonding interactions","New Journal of Chemistry","2025","49","44","19086","19090","10.1039/D5NJ03660G","","x-ray","1.54184","CuKα","","0.0578","0.0449","","","0.1275","0.1372","","","","","","1.064","","","","has coordinates,has disorder","303852","2025-11-29","21:38:02",""
"7064103","23.3178","0.0011","7.8643","0.0003","22.1414","0.0009","90","","113.716","0.003","90","","3717.4","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 Br2 -","- C26 H14 Br2 -","- C208 H112 Br16 -","8","2","","Maliha, Sunjida Reza; Datta, Saptarshi; Badiganti, Jahnavi; Rajamoni, Jagan; Szatkowski, Lukasz; Xu, Jinjia","Study of halogen substitution effects on the structural and electronic properties of overcrowded alkene rotors","New Journal of Chemistry","2025","49","47","20558","20566","10.1039/D5NJ03468J","","","1.54178","CuKα","","0.2157","0.1656","","","0.425","0.4544","","","","","","1.51","","","","has coordinates,has disorder","304115","2025-12-07","08:06:08",""
"7064104","13.9215","0.0005","19.7974","0.0008","7.626","0.0003","90","","90","","90","","2101.8","0.14","301","","301","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H12 Br4 -","- C26 H12 Br4 -","- C104 H48 Br16 -","4","0.5","","Maliha, Sunjida Reza; Datta, Saptarshi; Badiganti, Jahnavi; Rajamoni, Jagan; Szatkowski, Lukasz; Xu, Jinjia","Study of halogen substitution effects on the structural and electronic properties of overcrowded alkene rotors","New Journal of Chemistry","2025","49","47","20558","20566","10.1039/D5NJ03468J","","","0.71073","MoKα","","0.0515","0.0306","","","0.0575","0.0663","","","","","","1.032","","","","has coordinates","304115","2025-12-07","08:06:11",""
"7064105","7.6176","0.0007","11.1985","0.0009","18.9787","0.0018","90","","95.657","0.01","90","","1611.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F3 N2 O6 -","- C15 H11 F3 N2 O6 -","- C60 H44 F12 N8 O24 -","4","1","","Kochnev, Ivan A.; Barkov, Alexey Yu.","Silver or copper-catalyzed ring opening [3+2] annulation of 2-polyfluoroalkyl chromones/6-polyfluoroalkyl pyran-4H-ones with methylene isocyanides: regioselective synthesis of 3-polyfluoroalkyl pyrroles","New Journal of Chemistry","2025","49","46","20254","20263","10.1039/D5NJ03333K","","","0.71073","MoKα","","0.1495","0.0643","","","0.169","0.237","","","","","","1.01","","","","has coordinates,has disorder","303882","2025-11-29","21:46:44",""
"7064106","7.7224","0.0007","14.8067","0.0013","15.0191","0.0011","107.418","0.007","97.252","0.007","95.632","0.007","1608.6","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 F3 N O4 -","- C17 H14 F3 N O4 -","- C68 H56 F12 N4 O16 -","4","2","","Kochnev, Ivan A.; Barkov, Alexey Yu.","Silver or copper-catalyzed ring opening [3+2] annulation of 2-polyfluoroalkyl chromones/6-polyfluoroalkyl pyran-4H-ones with methylene isocyanides: regioselective synthesis of 3-polyfluoroalkyl pyrroles","New Journal of Chemistry","2025","49","46","20254","20263","10.1039/D5NJ03333K","","","0.71073","MoKα","","0.2098","0.0743","","","0.1746","0.2658","","","","","","0.959","","","","has coordinates","303882","2025-11-29","21:46:45",""
"7064107","5.2062","0.0006","13.1121","0.0008","24.064","0.002","90","","90","","90","","1642.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 F3 N O2 -","- C20 H14 F3 N O2 -","- C80 H56 F12 N4 O8 -","4","1","","Kochnev, Ivan A.; Barkov, Alexey Yu.","Silver or copper-catalyzed ring opening [3+2] annulation of 2-polyfluoroalkyl chromones/6-polyfluoroalkyl pyran-4H-ones with methylene isocyanides: regioselective synthesis of 3-polyfluoroalkyl pyrroles","New Journal of Chemistry","2025","49","46","20254","20263","10.1039/D5NJ03333K","","x-ray","0.71073","MoKα","","0.1292","0.0639","","","0.1336","0.1895","","","","","","0.999","","","","has coordinates","303882","2025-11-29","21:46:45",""
"7064108","13.0298","0.0007","7.5259","0.0007","31.6005","0.0019","90","","90","","90","","3098.8","0.4","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F3 N2 O3 -","- C17 H13 F3 N2 O3 -","- C136 H104 F24 N16 O24 -","8","1","","Kochnev, Ivan A.; Barkov, Alexey Yu.","Silver or copper-catalyzed ring opening [3+2] annulation of 2-polyfluoroalkyl chromones/6-polyfluoroalkyl pyran-4H-ones with methylene isocyanides: regioselective synthesis of 3-polyfluoroalkyl pyrroles","New Journal of Chemistry","2025","49","46","20254","20263","10.1039/D5NJ03333K","","","0.71073","MoKα","","0.1781","0.0631","","","0.099","0.1361","","","","","","0.976","","","","has coordinates","303882","2025-11-29","21:46:45",""
"7064109","5.3102","0.0004","9.1761","0.0006","10.1904","0.0006","90","","99.852","0.006","90","","489.22","0.06","293","2","293","2","","","","","","","no","6","C 1 2 1","C 2y","5","silicate-germanate","potassium lithium niobium silicate-germanate","","- Ge1.6 K Li1.8 Nb1.04 O12 Si2.4 -","- Ge1.6 K Li1.8 Nb1.04 O12 Si2.4 -","- Ge3.2 K2 Li3.6 Nb2.08 O24 Si4.8 -","2","0.5","","Belokoneva, Elena L.; van Dinteren-Tovstopyat, Sofiya V.; Volkov, Anatoly S.; Dimitrova, Olga V.; Vigasina, Marina F.; Stefanovich, Sergey Yu.; Simonov, Sergey V.; Ksenofontov, Dmitry A.","First hydrothermally synthesized polar lithium niobium 1M mica germanate–silicate KNb (Li0.9Nb0.02□ 0.08)2[(Ge0.4Si0.6)4O10]O2 with disorder and isomorphism, and topology symmetry analysis of the polytype family","New Journal of Chemistry","2025","49","46","19955","19962","10.1039/D5NJ02691A","","","0.71073","MoKα","","0.061","0.0519","","","0.1026","0.1069","","","","","","1.031","","","","has coordinates","303879","2025-11-29","21:45:29",""
"7064110","8.4069","0.0003","9.1212","0.0003","20.3453","0.0008","91.437","0.001","100.122","0.002","97.326","0.001","1521.48","0.1","205.3","","205.3","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H72 O15 P2 -","- C66 H72 O15 P2 -","- C66 H72 O15 P2 -","1","0.5","","Wei, Jian-Sheng; Du, Xiu-Ru; Du, Zhi-Qiang; Zhong, Ling-Yi; Ma, Ao-Qiang; Wang, Jian; Xia, Ai-Bao; Xu, Dan-Qian","Cs2CO3-mediated ring-opening reactions of nitrocyclopropanes via in situ generated allenes with phosphite triesters: stereoselective construction of (E)-vinylphosphonates","New Journal of Chemistry","2025","49","46","19945","19949","10.1039/D5NJ02982A","","x-ray","0.71073","MoKα","","0.1169","0.0602","","","0.1214","0.1496","","","","","","1.022","","","","has coordinates,has disorder","303884","2025-11-29","21:49:41",""
"7064111","8.3413","0.0003","8.5591","0.0003","12.6987","0.0004","107.43","0.02","104.455","0.002","93.15","0.002","829.3","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cu4 N24 O8 -","- C20 H28 Cu4 N24 O8 -","- C20 H28 Cu4 N24 O8 -","1","0.5","","Das, Nishan; Nandi, Nishithendu Bikash; Kłak, Julia; Sieroń, Lesław; Novikov, Alexander S.; Maniukiewicz, Waldemar; Misra, Tarun Kumar","Antiferromagnetic cyclic tetrameric copper(ii) complex and 8-azaxanthine derived from 1,3-dimethyl-5-(5′-methyl-3′-isoxazolyl-azo)-6-aminouracil: structures, non-covalent interactions and magnetism","New Journal of Chemistry","2025","49","46","20024","20038","10.1039/D5NJ03321G","","x-ray","0.71073","MoKα","","0.0311","0.0306","","","0.0798","0.0801","","","","","","1.072","","","","has coordinates","303880","2025-11-29","21:45:41",""
"7064112","20.8768","0.0005","5.8611","0.0001","19.6178","0.0004","90","","94.741","0.002","90","","2392.24","0.09","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 N12 O7 -","- C20 H26 N12 O7 -","- C80 H104 N48 O28 -","4","0.5","","Das, Nishan; Nandi, Nishithendu Bikash; Kłak, Julia; Sieroń, Lesław; Novikov, Alexander S.; Maniukiewicz, Waldemar; Misra, Tarun Kumar","Antiferromagnetic cyclic tetrameric copper(ii) complex and 8-azaxanthine derived from 1,3-dimethyl-5-(5′-methyl-3′-isoxazolyl-azo)-6-aminouracil: structures, non-covalent interactions and magnetism","New Journal of Chemistry","2025","49","46","20024","20038","10.1039/D5NJ03321G","","x-ray","1.54184","CuKα","","0.0282","0.0276","","","0.0676","0.068","","","","","","1.052","","","","has coordinates","303880","2025-11-29","21:45:42",""
"7064113","13.5715","0.0001","12.1653","0.0001","6.7738","0.0001","90","","99.392","0.001","90","","1103.37","0.02","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N6 O3 -","- C10 H10 N6 O3 -","- C40 H40 N24 O12 -","4","1","","Das, Nishan; Nandi, Nishithendu Bikash; Kłak, Julia; Sieroń, Lesław; Novikov, Alexander S.; Maniukiewicz, Waldemar; Misra, Tarun Kumar","Antiferromagnetic cyclic tetrameric copper(ii) complex and 8-azaxanthine derived from 1,3-dimethyl-5-(5′-methyl-3′-isoxazolyl-azo)-6-aminouracil: structures, non-covalent interactions and magnetism","New Journal of Chemistry","2025","49","46","20024","20038","10.1039/D5NJ03321G","","x-ray","1.54184","CuKα","","0.0327","0.0325","","","0.0891","0.0893","","","","","","1.05","","","","has coordinates","303880","2025-11-29","21:45:42",""
"7064114","7.4075","0.0005","13.1203","0.0011","21.0062","0.0015","90","","92.715","0.006","90","","2039.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-6,6-dimethyl-2-((E)-2-(4-nitrophenyl)ethenyl)-3,5,6,7-tetrahydro-4H-benzimidazol-4-one","","- C20 H24 N4 O5 -","- C20 H24 N4 O5 -","- C80 H96 N16 O20 -","4","1","","Golfarb-Abramov, Vladislav O.; Kazennova, Anastasia V.; Basanova, Elizaveta I.; Serova, Olga A.; Bormotov, Nikolai I.; Shishkina, Larisa N.; Krasnov, Vyacheslav I.; Polovyanenko, Dmitriy N.; Moskalev, Ivan A.; Fedorov, Alexey Yu.; Arkhipov, Sergey G.; Ilyina, Margarita G.; Borisevich, Sophia S.; Yarovaya, Olga I.; Nikitina, Polina A.","Synthesis, structure investigation and evaluation of anti-orthopoxvirus activities of 2-(2-arylethenyl)imidazoles","New Journal of Chemistry","2025","49","45","19699","19717","10.1039/D5NJ03203B","","x-ray","0.71073","MoKα","","0.0888","0.0592","","","0.1604","0.1871","","","","","","1.039","","","","has coordinates","303891","2025-11-29","21:51:20",""
"7064115","13.398","0.002","9.5481","0.0013","20.887","0.004","90","","97.339","0.017","90","","2650.1","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4,5-Trimethyl-2-((E)-2-phenylethenyl)-1H-imidazole","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C112 H144 N16 O16 -","8","1","","Golfarb-Abramov, Vladislav O.; Kazennova, Anastasia V.; Basanova, Elizaveta I.; Serova, Olga A.; Bormotov, Nikolai I.; Shishkina, Larisa N.; Krasnov, Vyacheslav I.; Polovyanenko, Dmitriy N.; Moskalev, Ivan A.; Fedorov, Alexey Yu.; Arkhipov, Sergey G.; Ilyina, Margarita G.; Borisevich, Sophia S.; Yarovaya, Olga I.; Nikitina, Polina A.","Synthesis, structure investigation and evaluation of anti-orthopoxvirus activities of 2-(2-arylethenyl)imidazoles","New Journal of Chemistry","2025","49","45","19699","19717","10.1039/D5NJ03203B","","x-ray","0.71073","MoKα","","0.1272","0.0934","","","0.2657","0.2942","","","","","","1.101","","","","has coordinates","303891","2025-11-29","21:51:21",""
"7064116","12.9411","0.0008","8.0804","0.0006","14.275","0.0011","90","","105.129","0.008","90","","1440.99","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Acetyl-1,5-dimethyl-2-((E)-2-(4-nitrophenyl)ethenyl)-1H-imidazole","","- C14 H17 N3 O4 -","- C14 H17 N3 O4 -","- C56 H68 N12 O16 -","4","1","","Golfarb-Abramov, Vladislav O.; Kazennova, Anastasia V.; Basanova, Elizaveta I.; Serova, Olga A.; Bormotov, Nikolai I.; Shishkina, Larisa N.; Krasnov, Vyacheslav I.; Polovyanenko, Dmitriy N.; Moskalev, Ivan A.; Fedorov, Alexey Yu.; Arkhipov, Sergey G.; Ilyina, Margarita G.; Borisevich, Sophia S.; Yarovaya, Olga I.; Nikitina, Polina A.","Synthesis, structure investigation and evaluation of anti-orthopoxvirus activities of 2-(2-arylethenyl)imidazoles","New Journal of Chemistry","2025","49","45","19699","19717","10.1039/D5NJ03203B","","x-ray","0.71073","MoKα","","0.0613","0.0504","","","0.1396","0.1486","","","","","","1.072","","","","has coordinates","303891","2025-11-29","21:51:21",""
"7064117","4.7308","0.0009","38.246","0.003","9.089","0.002","90","","96.796","0.017","90","","1633","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl","","- C16 H18 N3 O5 -","- C16 H18 N3 O5 -","- C64 H72 N12 O20 -","4","1","","Golfarb-Abramov, Vladislav O.; Kazennova, Anastasia V.; Basanova, Elizaveta I.; Serova, Olga A.; Bormotov, Nikolai I.; Shishkina, Larisa N.; Krasnov, Vyacheslav I.; Polovyanenko, Dmitriy N.; Moskalev, Ivan A.; Fedorov, Alexey Yu.; Arkhipov, Sergey G.; Ilyina, Margarita G.; Borisevich, Sophia S.; Yarovaya, Olga I.; Nikitina, Polina A.","Synthesis, structure investigation and evaluation of anti-orthopoxvirus activities of 2-(2-arylethenyl)imidazoles","New Journal of Chemistry","2025","49","45","19699","19717","10.1039/D5NJ03203B","","x-ray","0.71073","MoKα","","0.1321","0.0799","","","0.2336","0.2738","","","","","","1.008","","","","has coordinates","303891","2025-11-29","21:51:21",""
"7064118","7.3738","0.0005","14.1463","0.001","15.4463","0.001","66.399","0.006","88.379","0.005","86.836","0.005","1474.18","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 1-hydroxy-4-methyl-2-((E)-2-(4-nitrophenyl)ethenyl)-1H-imidazole-5-carboxylate","","- C30 H29 N6 O10 -","- C30 H29 N6 O10 -","- C60 H58 N12 O20 -","2","1","","Golfarb-Abramov, Vladislav O.; Kazennova, Anastasia V.; Basanova, Elizaveta I.; Serova, Olga A.; Bormotov, Nikolai I.; Shishkina, Larisa N.; Krasnov, Vyacheslav I.; Polovyanenko, Dmitriy N.; Moskalev, Ivan A.; Fedorov, Alexey Yu.; Arkhipov, Sergey G.; Ilyina, Margarita G.; Borisevich, Sophia S.; Yarovaya, Olga I.; Nikitina, Polina A.","Synthesis, structure investigation and evaluation of anti-orthopoxvirus activities of 2-(2-arylethenyl)imidazoles","New Journal of Chemistry","2025","49","45","19699","19717","10.1039/D5NJ03203B","","x-ray","0.71073","MoKα","","0.1585","0.088","","","0.2362","0.2942","","","","","","0.98","","","","has coordinates","303891","2025-11-29","21:51:21",""
"7064119","7.5492","0.0008","7.7057","0.0009","13.4133","0.0014","96.792","0.009","99.738","0.009","114.016","0.011","687.12","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(1-Methoxy-4-methyl-2-((E)-2-phenylethenyl)-1H-imidazol-5-yl)ethanone","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C30 H32 N4 O4 -","2","1","","Golfarb-Abramov, Vladislav O.; Kazennova, Anastasia V.; Basanova, Elizaveta I.; Serova, Olga A.; Bormotov, Nikolai I.; Shishkina, Larisa N.; Krasnov, Vyacheslav I.; Polovyanenko, Dmitriy N.; Moskalev, Ivan A.; Fedorov, Alexey Yu.; Arkhipov, Sergey G.; Ilyina, Margarita G.; Borisevich, Sophia S.; Yarovaya, Olga I.; Nikitina, Polina A.","Synthesis, structure investigation and evaluation of anti-orthopoxvirus activities of 2-(2-arylethenyl)imidazoles","New Journal of Chemistry","2025","49","45","19699","19717","10.1039/D5NJ03203B","","x-ray","0.71073","MoKα","","0.0909","0.0773","","","0.2081","0.2239","","","","","","1.03","","","","has coordinates","303891","2025-11-29","21:51:21",""
"7064120","13.5659","0.0002","24.4752","0.0003","27.3535","0.0003","86.662","0.001","83.523","0.001","87.284","0.001","9001.2","0.2","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C160 H236 Cl4 N24 Ni4 Si8 -","- C160 H236 Cl4 N24 Ni4 Si8 -","- C320 H472 Cl8 N48 Ni8 Si16 -","2","1","","Yang, Ziyan; Fan, Qingqing; Zhang, Xiangxu; Li, Xiaoyan; Sun, Hongjian","Additive-Controlled Selective Hydrosilylation Of Aryl Alkenes Catalyzed By Bis(silylene) Pincer Nickel(II) Chloride","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03998C","","x-ray","1.54184","CuKα","","0.0536","0.041","","","0.104","0.1113","","","","","","1.036","","","","has coordinates,has disorder","303394","2025-11-25","15:16:14",""
"7064121","14.706","0.003","18.755","0.003","17.934","0.003","90","","103.111","0.005","90","","4817.5","1.5","305","2","305","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H90 Cl8 N16 Ni4 O43 -","- C72 H90 Cl8 N16 Ni4 O43 -","- C144 H180 Cl16 N32 Ni8 O86 -","2","0.5","","Dong, Jinfeng; Qi, Zhichao; Zhang, Lianghui; Li, Qianqian; Lin, Junqi; Qu, Yanbo","Synthesis, characterization and electrocatalytic activity of a novel binuclear polypyridine nickel complex","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03685B","","x-ray","0.71073","MoKα","","0.1686","0.1169","","","0.2799","0.3259","","","","","","1.029","","","","has coordinates,has disorder","303395","2025-11-25","15:16:50",""
"7064122","12.7945","0.0004","8.7209","0.0003","12.6951","0.0003","90","","108.981","0.001","90","","1339.49","0.07","295","2","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 N7 O10 -","- C9 H5 N7 O10 -","- C36 H20 N28 O40 -","4","1","","Panda, Pradeepta; Shanmugapriya, V.","Single-step nitration of N,N′-Bispyrrolylmethane: Polynitro Derivatives as Insensitive Energetic Materials","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03844H","","","0.71073","MoKα","","0.0457","0.0384","","","0.0936","0.0997","","","","","","1.034","","","","has coordinates","303396","2025-11-25","15:18:01",""
"7064123","12.3802","0.0006","8.4707","0.0004","10.1162","0.0005","90","","105.237","0.002","90","","1023.58","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N4 O4 -","- C9 H8 N4 O4 -","- C36 H32 N16 O16 -","4","1","","Panda, Pradeepta; Shanmugapriya, V.","Single-step nitration of N,N′-Bispyrrolylmethane: Polynitro Derivatives as Insensitive Energetic Materials","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03844H","","","0.71073","MoKα","","0.0921","0.0633","","","0.1683","0.1992","","","","","","1.055","","","","has coordinates","303396","2025-11-25","15:18:02",""
"7064124","10.2722","0.0005","8.8323","0.0004","11.4857","0.0005","90","","90","","90","","1042.06","0.08","298","","298","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H8 N4 O4 -","- C9 H8 N4 O4 -","- C36 H32 N16 O16 -","4","1","","Panda, Pradeepta; Shanmugapriya, V.","Single-step nitration of N,N′-Bispyrrolylmethane: Polynitro Derivatives as Insensitive Energetic Materials","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03844H","","","0.71073","MoKα","","0.0515","0.0498","","","0.1041","0.1053","","","","","","1.256","","","","has coordinates","303396","2025-11-25","15:18:02",""
"7064125","18.5849","0.0017","10.4912","0.0008","6.2223","0.0004","90","","90","","90","","1213.21","0.16","296","2","296.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H6 N6 O8 -","- C9 H6 N6 O8 -","- C36 H24 N24 O32 -","4","1","","Panda, Pradeepta; Shanmugapriya, V.","Single-step nitration of N,N′-Bispyrrolylmethane: Polynitro Derivatives as Insensitive Energetic Materials","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03844H","","","0.71073","MoKα","","0.0352","0.0306","","","0.0687","0.0721","","","","","","1.033","","","","has coordinates","303396","2025-11-25","15:18:02",""
"7064126","6.952","0.005","17.512","0.01","7.541","0.004","90","","96.98","0.03","90","","911.3","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 -","- C9 H9 N3 O2 -","- C36 H36 N12 O8 -","4","1","","Panda, Pradeepta; Shanmugapriya, V.","Single-step nitration of N,N′-Bispyrrolylmethane: Polynitro Derivatives as Insensitive Energetic Materials","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03844H","","","0.71073","MoKα","","0.4566","0.1849","","","0.3717","0.5216","","","","","","0.892","","","","has coordinates,has disorder","303396","2025-11-25","15:18:03",""
"7064127","10.5972","0.001","8.9758","0.0008","13.1358","0.0011","90","","93.377","0.003","90","","1247.29","0.19","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 N6 O8 -","- C9 H6 N6 O8 -","- C36 H24 N24 O32 -","4","1","","Panda, Pradeepta; Shanmugapriya, V.","Single-step nitration of N,N′-Bispyrrolylmethane: Polynitro Derivatives as Insensitive Energetic Materials","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03844H","","","0.71073","MoKα","","0.048","0.0448","","","0.117","0.1198","","","","","","1.051","","","","has coordinates","303396","2025-11-25","15:18:03",""
"7064128","20.76","0.003","10.777","0.0015","8.491","0.0011","90","","101.119","0.005","90","","1864","0.4","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 -","- C9 H9 N3 O2 -","- C72 H72 N24 O16 -","8","2","","Panda, Pradeepta; Shanmugapriya, V.","Single-step nitration of N,N′-Bispyrrolylmethane: Polynitro Derivatives as Insensitive Energetic Materials","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03844H","","","0.71073","MoKα","","0.1439","0.0897","","","0.232","0.2502","","","","","","1.087","","","","has coordinates","303396","2025-11-25","15:18:03",""
"7064129","7.4622","0.0008","10.6054","0.0012","13.7873","0.0016","71.77","0.004","76.216","0.004","79.495","0.003","999.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 N4 O4 -","- C9 H8 N4 O4 -","- C36 H32 N16 O16 -","4","2","","Panda, Pradeepta; Shanmugapriya, V.","Single-step nitration of N,N′-Bispyrrolylmethane: Polynitro Derivatives as Insensitive Energetic Materials","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03844H","","","0.71073","MoKα","","0.0688","0.0566","","","0.1374","0.1456","","","","","","1.087","","","","has coordinates","303396","2025-11-25","15:18:03",""
"7064130","8.6057","0.0004","23.527","0.0009","12.9863","0.0006","90","","107.695","0.001","90","","2504.89","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 N6 O8 -","- C9 H6 N6 O8 -","- C72 H48 N48 O64 -","8","2","","Panda, Pradeepta; Shanmugapriya, V.","Single-step nitration of N,N′-Bispyrrolylmethane: Polynitro Derivatives as Insensitive Energetic Materials","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03844H","","","0.71073","MoKα","","0.0527","0.0413","","","0.1037","0.113","","","","","","1.024","","","","has coordinates","303396","2025-11-25","15:18:03",""
"7064131","15.8568","0.0008","21.4138","0.0011","15.4243","0.001","90","","90","","90","","5237.4","0.5","296.15","","296.15","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C36 H74 Gd N O29 V2 -","- C36 H73.3332 Gd N O28.6666 V2 -","- C144 H293.333 Gd4 N4 O114.666 V8 -","4","0.5","","Bazhina, Evgeniya S.; Shmelev, Maxim A.; Gogoleva, Natalia V.; Matiukhina, Anna K.; Vasilev, Pavel N.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Novel bimetallic LnIII/VIV (Ln = Gd, Tb, Dy, Er, Yb, Lu) compounds with cyclopropane-1,1-dicarboxylate anions and bulky tetrabutylammonium cations: synthesis, structure, magnetic properties, and thermal decomposition","New Journal of Chemistry","2025","49","47","20754","20767","10.1039/D5NJ03452C","","","0.71073","MoKα","","0.0617","0.0484","","","0.1063","0.1137","","","","","","1.121","","","","has coordinates,has disorder","304116","2025-12-07","08:07:43",""
"7064132","15.7781","0.0012","21.2907","0.0015","15.4105","0.001","90","","90","","90","","5176.8","0.6","296.15","","296.15","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C36 H73.33 Dy N O28.67 V2 -","- C36 H73.3332 Dy N O28.6666 V2 -","- C144 H293.333 Dy4 N4 O114.666 V8 -","4","0.5","","Bazhina, Evgeniya S.; Shmelev, Maxim A.; Gogoleva, Natalia V.; Matiukhina, Anna K.; Vasilev, Pavel N.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Novel bimetallic LnIII/VIV (Ln = Gd, Tb, Dy, Er, Yb, Lu) compounds with cyclopropane-1,1-dicarboxylate anions and bulky tetrabutylammonium cations: synthesis, structure, magnetic properties, and thermal decomposition","New Journal of Chemistry","2025","49","47","20754","20767","10.1039/D5NJ03452C","","","0.71073","MoKα","","0.0816","0.0537","","","0.1124","0.1275","","","","","","1.085","","","","has coordinates,has disorder","304116","2025-12-07","08:07:44",""
"7064133","15.7396","0.0009","21.332","0.001","15.4082","0.0007","90","","90","","90","","5173.4","0.4","296.15","","296.15","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C36 H73.33 N O28.67 Tb V2 -","- C36 H73.3332 N O28.6666 Tb V2 -","- C144 H293.333 N4 O114.666 Tb4 V8 -","4","0.5","","Bazhina, Evgeniya S.; Shmelev, Maxim A.; Gogoleva, Natalia V.; Matiukhina, Anna K.; Vasilev, Pavel N.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Novel bimetallic LnIII/VIV (Ln = Gd, Tb, Dy, Er, Yb, Lu) compounds with cyclopropane-1,1-dicarboxylate anions and bulky tetrabutylammonium cations: synthesis, structure, magnetic properties, and thermal decomposition","New Journal of Chemistry","2025","49","47","20754","20767","10.1039/D5NJ03452C","","","0.71073","MoKα","","0.0573","0.0506","","","0.099","0.1018","","","","","","1.192","","","","has coordinates,has disorder","304116","2025-12-07","08:07:44",""
"7064134","9.6627","0.0001","9.7006","0.0001","14.0506","0.0002","80.794","0.001","77.605","0.001","85.91","0.001","1268.82","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H25 Fe N S -","- C34 H25 Fe N S -","- C68 H50 Fe2 N2 S2 -","2","1","","Misra, Rajneesh; Gupta, Deeksha; Tewari, Nikhil; Kandpal, Vivak; Singh, Prabal Pratap","Ferrocenyl-Functionalized Phenothiazine Conjugates: Structure-Property Relationship and Electrochemical Energy Storage Studies","New Journal of Chemistry","2025","","","","","10.1039/D5NJ04004C","","x-ray","0.71073","MoKα","","0.0596","0.044","","","0.1174","0.1267","","","","","","1.081","","","","has coordinates","303398","2025-11-25","15:20:09",""
"7064135","12.7679","0.0014","23.61","0.003","20.903","0.002","90","","106.836","0.002","90","","6031.1","1.2","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66.8 H61.2 B2 Co F8 N6 O2.8 -","- C66.8 H61.2 B2 Co F8 N6 O2.8 -","- C267.2 H244.8 B8 Co4 F32 N24 O11.2 -","4","1","","Zhao, Yi-Ming; Chen, Duyong; Yi, Cheng; Zhou, Ren-He; Fu, Ming-Yang; Li, Jing; Zhang, Liyan; Cai, Rui; Meng, Yin-Shan; Liu, Tao","Construction of SCO-fluorescence bifunctional cobalt(II) complexes with anthracene-decorated terpy ligands","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03386A","","","0.71073","MoKα","","0.1227","0.0676","","","0.1781","0.2101","","","","","","1.036","","","","has coordinates,has disorder","303399","2025-11-25","15:21:01",""
"7064136","13.7103","0.0006","25.5836","0.0009","18.0956","0.0007","90","","93.786","0.001","90","","6333.3","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H67 Br2 Co N9 O3 -","- C71 H67 Br2 Co N9 O3 -","- C284 H268 Br8 Co4 N36 O12 -","4","1","","Zhao, Yi-Ming; Chen, Duyong; Yi, Cheng; Zhou, Ren-He; Fu, Ming-Yang; Li, Jing; Zhang, Liyan; Cai, Rui; Meng, Yin-Shan; Liu, Tao","Construction of SCO-fluorescence bifunctional cobalt(II) complexes with anthracene-decorated terpy ligands","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03386A","","","0.71073","MoKα","","0.0674","0.0437","","","0.1054","0.1187","","","","","","1.021","","","","has coordinates,has disorder","303399","2025-11-25","15:21:02",""
"7064137","13.022","0.007","24.317","0.013","20.685","0.011","90","","107.302","0.012","90","","6254","6","270","","270","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66.8 H61.2 B2 Co F8 N6 O2.8 -","- C66.8 H61.2 B2 Co F8 N6 O2.8 -","- C267.2 H244.8 B8 Co4 F32 N24 O11.2 -","4","1","","Zhao, Yi-Ming; Chen, Duyong; Yi, Cheng; Zhou, Ren-He; Fu, Ming-Yang; Li, Jing; Zhang, Liyan; Cai, Rui; Meng, Yin-Shan; Liu, Tao","Construction of SCO-fluorescence bifunctional cobalt(II) complexes with anthracene-decorated terpy ligands","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03386A","","","0.71073","MoKα","","0.1004","0.053","","","0.1237","0.1489","","","","","","1.037","","","","has coordinates,has disorder","303399","2025-11-25","15:21:02",""
"7064138","10.3703","0.0007","13.2314","0.0008","21.1114","0.0013","105.278","0.002","92.025","0.002","103.936","0.002","2697","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H47 Cl2 Co N6 O8.5 -","- C62 H47 Cl2 Co N6 O8.5 -","- C124 H94 Cl4 Co2 N12 O17 -","2","1","","Zhao, Yi-Ming; Chen, Duyong; Yi, Cheng; Zhou, Ren-He; Fu, Ming-Yang; Li, Jing; Zhang, Liyan; Cai, Rui; Meng, Yin-Shan; Liu, Tao","Construction of SCO-fluorescence bifunctional cobalt(II) complexes with anthracene-decorated terpy ligands","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03386A","","","0.71073","MoKα","","0.045","0.0359","","","0.0871","0.0922","","","","","","1.037","","","","has coordinates","303399","2025-11-25","15:21:02",""
"7064139","13.6794","0.0013","25.824","0.002","18.3028","0.0018","90","","93.221","0.003","90","","6455.4","1","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H67 Br2 Co N9 O3 -","- C71 H67 Br2 Co N9 O3 -","- C284 H268 Br8 Co4 N36 O12 -","4","1","","Zhao, Yi-Ming; Chen, Duyong; Yi, Cheng; Zhou, Ren-He; Fu, Ming-Yang; Li, Jing; Zhang, Liyan; Cai, Rui; Meng, Yin-Shan; Liu, Tao","Construction of SCO-fluorescence bifunctional cobalt(II) complexes with anthracene-decorated terpy ligands","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03386A","","","0.71073","MoKα","","0.0737","0.0461","","","0.1209","0.1384","","","","","","1.035","","","","has coordinates,has disorder","303399","2025-11-25","15:21:03",""
"7064140","10.4506","0.0013","13.3583","0.0016","21.424","0.003","105.657","0.003","91.317","0.004","104.218","0.003","2778.9","0.6","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H47 Cl2 Co N6 O8.5 -","- C62 H47 Cl2 Co N6 O8.5 -","- C124 H94 Cl4 Co2 N12 O17 -","2","1","","Zhao, Yi-Ming; Chen, Duyong; Yi, Cheng; Zhou, Ren-He; Fu, Ming-Yang; Li, Jing; Zhang, Liyan; Cai, Rui; Meng, Yin-Shan; Liu, Tao","Construction of SCO-fluorescence bifunctional cobalt(II) complexes with anthracene-decorated terpy ligands","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03386A","","","0.71073","MoKα","","0.0843","0.0576","","","0.1497","0.1665","","","","","","1.03","","","","has coordinates","303399","2025-11-25","15:21:03",""
"7064141","25.223","0.002","10.8041","0.0009","14.592","0.0012","90","","122.365","0.002","90","","3358.8","0.5","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cl N O3 Pd S -","- C18 H14 Cl N O3 Pd S -","- C144 H112 Cl8 N8 O24 Pd8 S8 -","8","1","","Halder, Arpan; Das, Akash; Mondal, Tapan Kumar; Guha, Subhabrata; Das, Gaurav; Naskar, Rahul","Newly developed palladium complexes featuring ONS donor ligands: Synthetic method, characterization, CT-DNA, BSA protein binding study and in-vitro cytotoxicity","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03343H","","","0.71073","MoKα","","0.0372","0.0344","","","0.0795","0.0815","","","","","","1.05","","","","has coordinates","303467","2025-11-28","01:46:06",""
"7064142","8.532","0.0008","15.0214","0.0014","15.0214","0.0014","83.277","0.002","76.249","0.002","76.249","0.002","1812.7","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H15 Cl N2 O3 Pd S -","- C18 H15 Cl N2 O3 Pd S -","- C72 H60 Cl4 N8 O12 Pd4 S4 -","4","2","","Halder, Arpan; Das, Akash; Mondal, Tapan Kumar; Guha, Subhabrata; Das, Gaurav; Naskar, Rahul","Newly developed palladium complexes featuring ONS donor ligands: Synthetic method, characterization, CT-DNA, BSA protein binding study and in-vitro cytotoxicity","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03343H","","","0.71073","MoKα","","0.0634","0.0403","","","0.0794","0.0902","","","","","","1.069","","","","has coordinates","303467","2025-11-28","01:46:07",""
"7064143","9.1643","0.0004","12.6992","0.0007","11.5642","0.0006","90","","105.336","0.002","90","","1297.91","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 Cl4 In N4 O -","- C7 H7 Cl4 In N4 O -","- C28 H28 Cl16 In4 N16 O4 -","4","1","","Sedykh, Evgeniya Sergeevna; Fomenko, Iakov Sergeevich; Komlyagina, Veronika I.; Vinogradova, Katerina A.; Rakhmanova, Marianna I.; Gushchin, Artem","Synthesis and luminescence of indium(III) complexes with (1H-pyrazol-1-yl)pyridazines","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03873A","","","0.71073","MoKα","","0.0312","0.0245","","","0.0499","0.052","","","","","","1.049","","","","has coordinates","303468","2025-11-28","01:46:31",""
"7064144","17.0936","0.0004","12.9476","0.0003","13.3085","0.0003","90","","90.045","0.001","90","","2945.45","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl8 In2 N8 -","- C18 H18 Cl8 In2 N8 -","- C72 H72 Cl32 In8 N32 -","4","1","","Sedykh, Evgeniya Sergeevna; Fomenko, Iakov Sergeevich; Komlyagina, Veronika I.; Vinogradova, Katerina A.; Rakhmanova, Marianna I.; Gushchin, Artem","Synthesis and luminescence of indium(III) complexes with (1H-pyrazol-1-yl)pyridazines","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03873A","","","0.71073","MoKα","","0.0465","0.0338","","","0.0679","0.0716","","","","","","1.05","","","","has coordinates,has disorder","303468","2025-11-28","01:46:32",""
"7064145","9.1024","0.0003","19.3688","0.0006","12.6664","0.0004","90","","107.71","0.003","90","","2127.29","0.12","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N3 O3 S -","- C22 H29 N3 O3 S -","- C88 H116 N12 O12 S4 -","4","1","","Ilkin, Vladimir; Silaichev, Pavel; Filimonov, Valeriy; Nikulin, Alexey; Beliaev, Nikolai; Beryozkina, Tetyana; Slepukhin, Pavel A.; Dehaen, Wim; Bakulev, Vasiliy Alekseevich","Blue-Light Assisted Transformation of C=S and P=S Bonds of Thioamides and Thiophosphonyl Diamides into C=N and P=N bonds of N-Sulfonyl Amidines via Interaction with Iminoiodinanes","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03889H","","","0.71073","MoKα","","0.1069","0.0597","","","0.1558","0.1954","","","","","","1.021","","","","has coordinates,has disorder","303978","2025-11-30","01:21:05",""
"7133845","15.3152","0.0008","40.9418","0.0019","20.7779","0.001","90","","98.274","0.002","90","","12892.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H139 Cu2 N8 S8 -","- C108 H139 Cu2 N8 S8 -","- C432 H556 Cu8 N32 S32 -","4","1","","Das, Sujit; Suthar, Sonam; Francis, Maria; Ghosh, Saurav; Mondal, Sangita; Kumar, Sunil; Mondal, Kartik Chandra","Isolation and characterization of a blue coloured three coordinate Cu(I)-radical complex with an S<sub>3</sub> donor set.","Chemical communications (Cambridge, England)","2025","61","13","2746","2749","10.1039/d4cc03777d","","","0.71073","MoKα","","0.1065","0.0552","","","0.1767","0.235","","","","","","0.829","","","","has coordinates,has disorder","298034","2025-03-04","18:32:05",""
"7133977","5.3067","0.0004","9.1631","0.0007","12.2106","0.0009","90","","99.671","0.007","90","","585.31","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","chlorobartaphilone A","'(R)-9-chloro-3,6a-dimethyl-6H-furo[2,3-h]isochromene-6,8(6aH)-dione'","","- C13 H9 Cl O4 -","- C13 H9 Cl O4 -","- C26 H18 Cl2 O8 -","2","1","","Flon, Victor; Pavesi, Coralie; Oger, Samuel; Leleu, Stéphane; Retailleau, Pascal; Jennings, Laurence K.; Prado, Soizic; Franck, Xavier","Mass-tagged aminated probes for rapid discovery of azaphilic natural products in fungal crude extracts.","Chemical communications (Cambridge, England)","2025","61","4","677","680","10.1039/d4cc05122j","","","1.54187","CuKα","","0.0759","0.037","","","0.0709","0.1016","","","","","","1.0521","","","","has coordinates","298012","2025-03-04","18:19:36",""
"7133983","4.6371","0.001","33.771","0.007","5.6015","0.0012","90","","96.286","0.006","90","","871.9","0.3","180","","180","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","bis(4-(4-bromophenyl)-1H-1,2,3-triazol-1-yl)difluoromethane","","- C17 H10 Br2 F2 N6 -","- C17 H10 Br2 F2 N6 -","- C34 H20 Br4 F4 N12 -","2","0.5","","Ziabko, Mykyta; Suikov, Sergeii; Filgas, Josef; Slavíček, Petr; Gazdurová, Michaela; Bednárová, Lucie; Matyáš, Robert; Klepetářová, Blanka; David, Tomáš; Beier, Petr","From boom to bloom: synthesis of diazidodifluoromethane, its stability and applicability in the 'click' reaction.","Chemical communications (Cambridge, England)","2025","61","5","885","888","10.1039/d4cc05128a","","x-ray","1.54178","CuKα","","0.0656","0.061","","0.16","0.1571","0.16","","","","","","1.0839","","","","has coordinates","298006","2025-03-04","18:15:59",""
"7133984","13.756","0.0003","6.4533","0.0002","16.5581","0.0004","90","","113.581","0.0007","90","","1347.15","0.06","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-fluoro-3-(4-phenyl-2H-1,2,3-triazol-2-yl)isoquinoline","","- C17 H11 F N4 -","- C17 H11 F N4 -","- C68 H44 F4 N16 -","4","1","","Ziabko, Mykyta; Suikov, Sergeii; Filgas, Josef; Slavíček, Petr; Gazdurová, Michaela; Bednárová, Lucie; Matyáš, Robert; Klepetářová, Blanka; David, Tomáš; Beier, Petr","From boom to bloom: synthesis of diazidodifluoromethane, its stability and applicability in the 'click' reaction.","Chemical communications (Cambridge, England)","2025","61","5","885","888","10.1039/d4cc05128a","","x-ray","0.71073","MoKα","","0.0702","0.0457","","0.1439","0.1123","0.1429","","","","","","1.0381","","","","has coordinates","298006","2025-03-04","18:16:00",""
"7133990","6.8635","0.0003","22.7679","0.0009","8.8158","0.0003","90","","94.763","0.002","90","","1372.87","0.09","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 Ni O -","- C17 H14 N2 Ni O -","- C68 H56 N8 Ni4 O4 -","4","1","","Durin, Gabriel; Lee, Mijung; Pogany, Martina A.; Kahl, Christian; Weyhermüller, Thomas; Leitner, Walter; Kaeffer, Nicolas","Electrochemical aldehyde hydrogenation: probing the inner-sphere strategy with nickel-bipyridine complexes.","Chemical communications (Cambridge, England)","2025","61","3","520","523","10.1039/d4cc04050c","","","0.71073","MoKα","","0.0352","0.0293","","","0.0717","0.0743","","","","","","1.066","","","","has coordinates","298083","2025-03-04","18:51:55",""
"7134001","10.1914","0.0019","31.77","0.006","32.931","0.006","90","","90","","90","","10662","3","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C148 H172 F12 N16 O34 S4 Y4 -","- C148 H144 F12 N16 O34 S4 Y4 -","- C296 H288 F24 N32 O68 S8 Y8 -","2","0.5","","Liu, Yi-Fu; Gil-Ramírez, Guzmán; Nakamura, Takashi","Synthesis of macrocyclic salen rare-earth complexes and their framework conversion regulated by coordination sphere engineering.","Chemical communications (Cambridge, England)","2025","61","5","921","924","10.1039/d4cc03851g","","","0.71073","MoKα","","0.1401","0.1053","","","0.2676","0.2968","","","","","","1.049","","","","has coordinates","298007","2025-03-04","18:17:14",""
"7134002","10.4748","0.0006","31.686","0.0015","32.6723","0.0016","90","","90","","90","","10844.1","1","100","2","100","2","","","","","","","","7","I 2 2 2","I 2 2","23","","","","- C148 H176 F12 Lu4 N16 O36 S4 -","- C148 H144 F12 Lu4 N16 O36 S4 -","- C296 H288 F24 Lu8 N32 O72 S8 -","2","0.25","","Liu, Yi-Fu; Gil-Ramírez, Guzmán; Nakamura, Takashi","Synthesis of macrocyclic salen rare-earth complexes and their framework conversion regulated by coordination sphere engineering.","Chemical communications (Cambridge, England)","2025","61","5","921","924","10.1039/d4cc03851g","","","0.71073","MoKα","","0.1014","0.0679","","","0.1747","0.2024","","","","","","1.033","","","","has coordinates,has disorder","298007","2025-03-04","18:17:16",""
"7134003","35.451","0.003","35.451","0.003","35.451","0.003","90","","90","","90","","44554","7","100","2","100","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C141 H183 Co3 Lu3 N12 O36 P9 -","- C141 H177 Co3 Lu3 N12 O36 P9 -","- C1128 H1416 Co24 Lu24 N96 O288 P72 -","8","0.333333","","Liu, Yi-Fu; Gil-Ramírez, Guzmán; Nakamura, Takashi","Synthesis of macrocyclic salen rare-earth complexes and their framework conversion regulated by coordination sphere engineering.","Chemical communications (Cambridge, England)","2025","61","5","921","924","10.1039/d4cc03851g","","","0.71073","MoKα","","0.0722","0.0519","","","0.122","0.1429","","","","","","1.075","","","","has coordinates","298007","2025-03-04","18:17:17",""
"7134011","13.8769","0.0002","13.8769","0.0002","35.5657","0.0012","90","","90","","90","","6848.8","0.3","120","","120","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C65.5 H11 B N2 S -","- C65.5 H11 B N2 S -","- C524 H88 B8 N16 S8 -","8","1","","Yuan, Sheng-Hu; Ma, Shu-Chao; Wu, Jian; Zheng, Xiu-Ying; Xuan, Jun; Li, Fei","NHC-BH<sub>2</sub>-C<sub>60</sub>H: synthesis, characterization and electrochemical properties of the N-heterocyclic-carbene-stabilized fullerene-borane complex.","Chemical communications (Cambridge, England)","2025","61","3","528","531","10.1039/d4cc04866k","","x-ray","1.54184","CuKα","","0.197","0.1632","","","0.4182","0.4511","","","","","","1.126","","","","has coordinates","298087","2025-03-04","18:52:59",""
"7134027","16.2399","0.0012","47.8","0.004","8.1006","0.0007","90","","90","","90","","6288.2","0.9","294","","294","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H13 F3 N2 O -","- C18 H13 F3 N2 O -","- C288 H208 F48 N32 O16 -","16","1","","Cui, Jia-Huan; Chen, Qian-Yu; Zhang, Jun; He, Yan; Li, Xingguang; Liu, Pei-Nian","Visible light-induced cascade annulation of sulfoxonium ylides with azides for the synthesis of 2-trifluoromethyl indoles.","Chemical communications (Cambridge, England)","2025","61","3","488","491","10.1039/d4cc05513f","","","1.54178","CuKα","","0.0454","0.0435","","","0.1019","0.1033","","","","","","1.167","","","","has coordinates","298086","2025-03-04","18:52:46",""
"7134028","16.5134","0.0007","8.0265","0.0004","16.5356","0.0007","90","","117.207","0.002","90","","1949.22","0.16","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br F3 N2 O2 S -","- C18 H16 Br F3 N2 O2 S -","- C72 H64 Br4 F12 N8 O8 S4 -","4","1","","Cui, Jia-Huan; Chen, Qian-Yu; Zhang, Jun; He, Yan; Li, Xingguang; Liu, Pei-Nian","Visible light-induced cascade annulation of sulfoxonium ylides with azides for the synthesis of 2-trifluoromethyl indoles.","Chemical communications (Cambridge, England)","2025","61","3","488","491","10.1039/d4cc05513f","","","1.54178","CuKα","","0.0518","0.0493","","","0.1274","0.1292","","","","","","1.13","","","","has coordinates,has disorder","298086","2025-03-04","18:52:47",""
"7134029","33.896","0.003","12.289","0.001","16.7731","0.0015","90","","90","","90","","6986.8","1","298","","298","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C46 H34 O4 -","- C46 H34 O4 -","- C368 H272 O32 -","8","1","","Goel, Komal; Satyanarayana, Gedu","A rapid pathway to molecular complexity: a palladium-catalyzed six-fold domino process to access polycyclic frameworks.","Chemical communications (Cambridge, England)","2025","61","3","536","539","10.1039/d4cc05380j","","","0.71073","MoKα","","0.1293","0.0692","","","0.1566","0.1864","","","","","","1.039","","","","has coordinates,has disorder","298085","2025-03-04","18:52:27",""
"7134030","10.8616","0.0007","17.3612","0.0011","8.0514","0.0004","90","","90","","90","","1518.26","0.16","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H15 Cl O3 -","- C17 H15 Cl O3 -","- C68 H60 Cl4 O12 -","4","1","","Cariello, Guilherme; Gallo, Rafael D. C.; Deflon, Victor M.; Cormanich, Rodrigo A.; Jurberg, Igor D.","Visible light-mediated formal alkylation and [4+1]-cycloaddition strategies of silyl enol ethers with aryldiazoacetates.","Chemical communications (Cambridge, England)","2025","61","10","2044","2047","10.1039/d4cc05451b","","","0.71073","MoKα","","0.077","0.049","","","0.1051","0.122","","","","","","1.068","","","","has coordinates","297988","2025-03-04","18:08:28",""
"7134031","15.18","0.004","14.833","0.003","10.438","0.003","90","","123.148","0.016","90","","1967.8","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 B3 N3 -","- C21 H24 B3 N3 -","- C84 H96 B12 N12 -","4","0.5","","Wakchaure, Vivek Chandrakant; Dosso, Jacopo; Crosta, Martina; Kählig, Hanspeter; Ward, Benjamin D.; Bonifazi, Davide","Expression of hyperconjugative stereoelectronic interactions in borazines.","Chemical communications (Cambridge, England)","2025","61","6","1200","1203","10.1039/d4cc05188b","","","0.71073","MoKα","","0.0812","0.0423","","","0.0922","0.1016","","","","","","0.911","","","","has coordinates,has disorder","298021","2025-03-04","18:25:00",""
"7134032","11.8518","0.0008","12.9244","0.001","21.2118","0.0019","90","","90","","90","","3249.2","0.4","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H48 B3 N3 -","- C36 H48 B3 N3 -","- C144 H192 B12 N12 -","4","1","","Wakchaure, Vivek Chandrakant; Dosso, Jacopo; Crosta, Martina; Kählig, Hanspeter; Ward, Benjamin D.; Bonifazi, Davide","Expression of hyperconjugative stereoelectronic interactions in borazines.","Chemical communications (Cambridge, England)","2025","61","6","1200","1203","10.1039/d4cc05188b","","","0.71073","MoKα","","0.0987","0.0532","","","0.1214","0.137","","","","","","0.893","","","","has coordinates,has disorder","298021","2025-03-04","18:25:01",""
"7134033","23.3352","0.0006","11.91","0.0003","16.391","0.0007","90","","126.03","0.0006","90","","3684","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cl2 Co N6 O8 -","- C36 H34 Cl2 Co N6 O8 -","- C144 H136 Cl8 Co4 N24 O32 -","4","0.5","","Hoq, Jahidul; Dworzak, Michael R.; Dissanayake, Duleeka; Skalla, Rebecca X.; Yamamoto, Nobuyuki; Yap, Glenn P. A.; Bloch, Eric D.","Post-synthetic modification of amine-functionalized permanently porous coordination cages.","Chemical communications (Cambridge, England)","2025","61","8","1641","1644","10.1039/d4cc04370g","","","0.71073","MoKα","","0.0338","0.0308","","","0.0825","0.0861","","","","","","1.075","","","","has coordinates","298002","2025-03-04","18:14:48",""
"7134034","13.1543","0.0012","8.5115","0.0008","16.4253","0.0015","90","","110.597","0.005","90","","1721.5","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 N2 O4 Pd -","- C16 H14 Cl2 N2 O4 Pd -","- C64 H56 Cl8 N8 O16 Pd4 -","4","1","","Hoq, Jahidul; Dworzak, Michael R.; Dissanayake, Duleeka; Skalla, Rebecca X.; Yamamoto, Nobuyuki; Yap, Glenn P. A.; Bloch, Eric D.","Post-synthetic modification of amine-functionalized permanently porous coordination cages.","Chemical communications (Cambridge, England)","2025","61","8","1641","1644","10.1039/d4cc04370g","","","1.54178","CuKα","","0.0455","0.0407","","","0.0819","0.0838","","","","","","1.083","","","","has coordinates","298002","2025-03-04","18:14:49",""
"7134035","12.7127","0.0001","22.9597","0.0002","21.0072","0.0002","90","","98.502","0.001","90","","6064.2","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(IDipp)AuGa(CP)(NacNac)*tol","","- C64 H85 Au Ga N4 P -","- C64 H85 Au Ga N4 P -","- C256 H340 Au4 Ga4 N16 P4 -","4","1","","Yang, Eric S.; Goicoechea, Jose M.","Cyaphide group transfer from covalent metal complexes: contrasting pathways to transmetallation.","Chemical communications (Cambridge, England)","2025","61","4","725","727","10.1039/d4cc06131d","","","1.54184","CuKα","","0.0243","0.0211","","","0.0505","0.0523","","","","","","1.059","","","","has coordinates,has disorder","298011","2025-03-04","18:19:23",""
"7134036","9.8473","0.0002","13.0366","0.0003","13.6086","0.0004","81.05","0.002","74.529","0.002","76.115","0.002","1626.66","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[AuFe(dppe)2(CP)]2*2C6H6","","- C54 H108 Au2 Fe2 P10 -","- C54 H108 Au2 Fe2 P10 -","- C54 H108 Au2 Fe2 P10 -","1","0.5","","Yang, Eric S.; Goicoechea, Jose M.","Cyaphide group transfer from covalent metal complexes: contrasting pathways to transmetallation.","Chemical communications (Cambridge, England)","2025","61","4","725","727","10.1039/d4cc06131d","","","1.54184","CuKα","","0.0285","0.0272","","","0.0676","0.0687","","","","","","1.019","","","","has coordinates","298011","2025-03-04","18:19:23",""
"7134037","11.2219","0.0016","13.1963","0.0019","15.947","0.002","72.8","0.005","70.92","0.004","65.017","0.005","1988.4","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 B N4 O -","- C22 H23 B N4 O -","- C88 H92 B4 N16 O4 -","4","2","","Bayer Kömüşdoğan, Ezgi; Batool, Sania; Şahin, Ertan; Yildirim, Erol; Işık, Murat; Tanyeli, Cihangir","Multicomponent synthesis of stereogenic-at-boron fluorophores (BOSPYR) from boronic acids, salicylaldehydes, and 2-formylpyrrole hydrazones.","Chemical communications (Cambridge, England)","2025","61","3","576","579","10.1039/d4cc03956d","","","0.71073","MoKα","","0.2569","0.0891","","","0.1729","0.1839","","","","","","1.015","","","","has coordinates","298084","2025-03-04","18:52:06",""
"7134038","7.7811","0.0004","9.7347","0.0004","13.6565","0.0007","100.211","0.004","100.569","0.004","109.946","0.004","923.13","0.09","302.34","0.1","302.34","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C25 H19 N -","- C25 H19 N -","- C50 H38 N2 -","2","1","","Hou, Yanchun; Liu, Jianwei; Tian, Yi; Wang, Guangshen; Zhang, Xingcan; Han, Jingpeng; Li, Baosheng","Pyridine-oriented transannular C-H functionalization of arenes.","Chemical communications (Cambridge, England)","2025","61","6","1132","1135","10.1039/d4cc05717a","","x-ray","1.54184","CuKα","","0.0418","0.0392","","","0.1045","0.1067","","","","","","1.06","","","","has coordinates","298024","2025-03-04","18:25:58",""
"7134039","9.7021","0.0001","7.2233","0.0001","23.9872","0.0003","90","","94.761","0.001","90","","1675.25","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N -","- C23 H17 N -","- C92 H68 N4 -","4","1","","Hou, Yanchun; Liu, Jianwei; Tian, Yi; Wang, Guangshen; Zhang, Xingcan; Han, Jingpeng; Li, Baosheng","Pyridine-oriented transannular C-H functionalization of arenes.","Chemical communications (Cambridge, England)","2025","61","6","1132","1135","10.1039/d4cc05717a","","x-ray","1.54184","CuKα","","0.0387","0.0354","","","0.0945","0.0984","","","","","","1.042","","","","has coordinates","298024","2025-03-04","18:25:59",""
"7134040","6.5622","0.0006","11.6742","0.0008","15.1234","0.0011","90","","92.555","0.003","90","","1157.43","0.16","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","1","","Antonkin, Nikita S.; Vlasenko, Yulia A.; Puylaert, Pim; Nachtsheim, Boris J.; Postnikov, Pavel S.","N-Heterocycle-coordinated <i>λ</i><sup>5</sup>-iodanes as IBX alternatives for alcohol oxidations.","Chemical communications (Cambridge, England)","2025","61","4","756","759","10.1039/d4cc05058d","","x-ray","0.71073","MoKα","","0.0216","0.0185","","","0.0411","0.0424","","","","","","1.049","","","","has coordinates","298010","2025-03-04","18:19:04",""
"7134041","26.9537","0.0008","26.9537","0.0008","9.8807","0.0005","90","","90","","120","","6216.6","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C14 H10 I N3 O2 -","- C14 H10 I N3 O2 -","- C252 H180 I18 N54 O36 -","18","1","","Antonkin, Nikita S.; Vlasenko, Yulia A.; Puylaert, Pim; Nachtsheim, Boris J.; Postnikov, Pavel S.","N-Heterocycle-coordinated <i>λ</i><sup>5</sup>-iodanes as IBX alternatives for alcohol oxidations.","Chemical communications (Cambridge, England)","2025","61","4","756","759","10.1039/d4cc05058d","","x-ray","0.71073","MoKα","","0.029","0.0273","","","0.0523","0.0528","","","","","","1.086","","","","has coordinates","298010","2025-03-04","18:19:06",""
"7134042","15.2341","0.0004","14.6267","0.0004","17.4417","0.0005","90","","90","","90","","3886.44","0.18","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Cl2 I N2 O5 -","- C18 H17 Cl2 I N2 O5 -","- C144 H136 Cl16 I8 N16 O40 -","8","1","","Antonkin, Nikita S.; Vlasenko, Yulia A.; Puylaert, Pim; Nachtsheim, Boris J.; Postnikov, Pavel S.","N-Heterocycle-coordinated <i>λ</i><sup>5</sup>-iodanes as IBX alternatives for alcohol oxidations.","Chemical communications (Cambridge, England)","2025","61","4","756","759","10.1039/d4cc05058d","","x-ray","0.71073","MoKα","","0.0239","0.0211","","","0.046","0.0469","","","","","","1.119","","","","has coordinates","298010","2025-03-04","18:19:06",""
"7134043","16.2565","0.0005","18.2879","0.0005","22.232","0.0006","90","","90","","90","","6609.5","0.3","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Cs10 H3 O53 Sb W14 -","- Cs10 H O53 Sb W14 -","- Cs40 H4 O212 Sb4 W56 -","4","1","","Colliard, Ian; Deblonde, Gauthier J.-P.","Isolation and characterization of a new polyoxometalate ligand, H<sub>3</sub>SbW<sub>14</sub>O<sub>50</sub><sup>10-</sup>, and its interactions with f-elements.","Chemical communications (Cambridge, England)","2025","61","5","941","944","10.1039/d4cc05558f","","","0.71073","MoKα","","0.0604","0.0489","","","0.1286","0.1346","","","","","","1.042","","","","has coordinates","298004","2025-03-04","18:15:24",""
"7134044","14.0903","0.0008","10.8057","0.0006","11.6002","0.0006","90","","103.06","0.002","90","","1720.51","0.16","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2.71 H2.12 N0.24 O0.12 -","- C2.70588 H2.11765 N0.235294 O0.117647 -","- C92 H72 N8 O4 -","34","8.5","","Chakrabortty, Gopal; Pratim Sen, Partha; Raha Roy, Sudipta","Cobalt catalysed cross-dehydrogenative coupling of indoles: a photoinduced ligand to metal charge transfer process.","Chemical communications (Cambridge, England)","2025","61","9","1898","1901","10.1039/d4cc05192k","","","0.71073","MoKα","","0.0509","0.0394","","","0.0962","0.1037","","","","","","1.035","","","","has coordinates","298054","2025-03-04","18:40:27",""
"7134045","16.5594","0.0001","22.41","0.0002","23.2623","0.0002","90","","129.271","0.001","90","","6682.98","0.13","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H99 Fe9 N10 O60 Sn6 -","- C94 H99 Fe9 N10 O60 Sn6 -","- C188 H198 Fe18 N20 O120 Sn12 -","2","0.5","","Tian, Xiu-Juan; Lu, Qian; Li, Shi-Li; Zhang, Xian-Ming","A sandwich-like heterometallic Fe<sub>7</sub>Sn<sub>6</sub> oxo cluster constructed by tessellation of an Anderson-like {Fe<sub>7</sub>} wheel for near-infrared photothermal conversion.","Chemical communications (Cambridge, England)","2025","61","6","1140","1143","10.1039/d4cc05796a","","x-ray","1.54178","CuKα","","0.08","0.0769","","","0.2373","0.2405","","","","","","1.057","","","","has coordinates,has disorder","298023","2025-03-04","18:25:41",""
"7134046","8.7312","0.0011","16.422","0.002","11.2564","0.0015","90","","90","","90","","1614","0.4","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Vinodkumar, Ramavath; Nakate, Ashwini K.; Krishna, Gamidi Rama; Kontham, Ravindar","AgOTf-catalyzed cascade annulation of 5-hexyn-1-ols and aldehydes: enabling the diastereoselective synthesis of [6,6,6]-trioxa-fused ketals and hexahydro-2<i>H</i>-chromenes.","Chemical communications (Cambridge, England)","2025","61","5","973","976","10.1039/d4cc05546b","","","0.71073","MoKα","","0.0484","0.045","","","0.1224","0.126","","","","","","1.111","","","","has coordinates","298008","2025-03-04","18:18:10",""
"7134047","14.719","0.003","12.729","0.002","8.8925","0.0017","90","","90","","90","","1666.1","0.5","100","2","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H25 Cl O3 -","- C19 H25 Cl O3 -","- C76 H100 Cl4 O12 -","4","0.5","","Vinodkumar, Ramavath; Nakate, Ashwini K.; Krishna, Gamidi Rama; Kontham, Ravindar","AgOTf-catalyzed cascade annulation of 5-hexyn-1-ols and aldehydes: enabling the diastereoselective synthesis of [6,6,6]-trioxa-fused ketals and hexahydro-2<i>H</i>-chromenes.","Chemical communications (Cambridge, England)","2025","61","5","973","976","10.1039/d4cc05546b","","","0.71073","MoKα","","0.1049","0.0903","","","0.2061","0.2138","","","","","","1.152","","","","has coordinates","298008","2025-03-04","18:18:14",""
"7134048","10.1704","0.001","12.2125","0.0013","12.2391","0.0013","66.671","0.004","78.351","0.004","87.561","0.004","1366","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H36 Cl2 O3 -","- C30 H36 Cl2 O3 -","- C60 H72 Cl4 O6 -","2","1","","Vinodkumar, Ramavath; Nakate, Ashwini K.; Krishna, Gamidi Rama; Kontham, Ravindar","AgOTf-catalyzed cascade annulation of 5-hexyn-1-ols and aldehydes: enabling the diastereoselective synthesis of [6,6,6]-trioxa-fused ketals and hexahydro-2<i>H</i>-chromenes.","Chemical communications (Cambridge, England)","2025","61","5","973","976","10.1039/d4cc05546b","","","0.71073","MoKα","","0.065","0.0453","","","0.1075","0.1177","","","","","","1.075","","","","has coordinates","298008","2025-03-04","18:18:14",""
"7134049","8.7057","0.001","18.724","0.002","12.0239","0.0012","90","","90","","90","","1960","0.4","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C25 H26 O5 -","- C25 H26 O5 -","- C100 H104 O20 -","4","1","","Vinodkumar, Ramavath; Nakate, Ashwini K.; Krishna, Gamidi Rama; Kontham, Ravindar","AgOTf-catalyzed cascade annulation of 5-hexyn-1-ols and aldehydes: enabling the diastereoselective synthesis of [6,6,6]-trioxa-fused ketals and hexahydro-2<i>H</i>-chromenes.","Chemical communications (Cambridge, England)","2025","61","5","973","976","10.1039/d4cc05546b","","","0.71073","MoKα","","0.0316","0.0308","","","0.0845","0.0851","","","","","","1.124","","","","has coordinates","298008","2025-03-04","18:18:14",""
"7134050","19.3188","0.0003","19.1158","0.0003","10.6274","0.0001","90","","90","","90","","3924.64","0.09","150","","150","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C82 H62 Cl12 N8 O2 Pt2 -","- C82 H62 Cl12 N8 O2 Pt2 -","- C164 H124 Cl24 N16 O4 Pt4 -","2","0.5","","Inoue, Ryo; Kobayashi, Mayu; Morisaki, Yasuhiro","Optically active cofacial ABCD-Pt(II)-porphyrin dimer exhibits bright circularly polarized phosphorescence.","Chemical communications (Cambridge, England)","2025","61","5","957","960","10.1039/d4cc05684a","","x-ray","0.71073","MoKα","","0.0328","0.0307","","","0.0772","0.0784","","","","","","1.03","","","","has coordinates,has disorder","298005","2025-03-04","18:15:48",""
"7134051","10.1467","0.0005","17.0883","0.0008","21.2534","0.0007","111.17","0.004","93.759","0.003","106.032","0.004","3246.1","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 N4 O Pt -","- C42 H32 N4 O Pt -","- C168 H128 N16 O4 Pt4 -","4","2","","Inoue, Ryo; Kobayashi, Mayu; Morisaki, Yasuhiro","Optically active cofacial ABCD-Pt(II)-porphyrin dimer exhibits bright circularly polarized phosphorescence.","Chemical communications (Cambridge, England)","2025","61","5","957","960","10.1039/d4cc05684a","","x-ray","0.71073","MoKα","","0.0883","0.0517","","","0.1076","0.1212","","","","","","1.063","","","","has coordinates","298005","2025-03-04","18:15:48",""
"7134052","11.327","0.0002","16.6957","0.0002","17.5885","0.0003","94.991","0.001","93.243","0.001","90.997","0.001","3307.45","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C164 H132 Cl6 N16 O4 Pt4 -","- C164 H132 Cl6 N16 O4 Pt4 -","- C164 H132 Cl6 N16 O4 Pt4 -","1","0.5","","Inoue, Ryo; Kobayashi, Mayu; Morisaki, Yasuhiro","Optically active cofacial ABCD-Pt(II)-porphyrin dimer exhibits bright circularly polarized phosphorescence.","Chemical communications (Cambridge, England)","2025","61","5","957","960","10.1039/d4cc05684a","","x-ray","1.54184","CuKα","","0.0712","0.0627","","","0.1733","0.1788","","","","","","1.098","","","","has coordinates,has disorder","298005","2025-03-04","18:15:48",""
"7134053","11.5446","0.0003","17.1268","0.0005","17.3718","0.0005","71.885","0.002","72.12","0.002","77.57","0.002","3079.51","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H58 N8 O2 Pt2 -","- C78 H58 N8 O2 Pt2 -","- C156 H116 N16 O4 Pt4 -","2","1","","Inoue, Ryo; Kobayashi, Mayu; Morisaki, Yasuhiro","Optically active cofacial ABCD-Pt(II)-porphyrin dimer exhibits bright circularly polarized phosphorescence.","Chemical communications (Cambridge, England)","2025","61","5","957","960","10.1039/d4cc05684a","","x-ray","0.71073","MoKα","","0.0917","0.0576","","","0.127","0.1429","","","","","","1.019","","","","has coordinates,has disorder","298005","2025-03-04","18:15:48",""
"7134054","15.9823","0.0005","10.6216","0.0003","21.5922","0.0006","90","","108.119","0.001","90","","3483.67","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 F6 N2 O8 S -","- C28 H50 F6 N2 O8 S -","- C112 H200 F24 N8 O32 S4 -","4","1","","Burke, Emily K.; Robertson, Katherine N.; Speed, Alexander W. H.","Convenient lanthanum-mediated synthesis of bulky <i>tert</i>-alkyl amines from nitriles.","Chemical communications (Cambridge, England)","2025","61","6","1172","1175","10.1039/d4cc05831c","","","0.71073","MoKα","","0.0718","0.0415","","","0.0981","0.1235","","","","","","1.103","","","","has coordinates,has disorder","298022","2025-03-04","18:25:20",""
"7134055","29.6157","0.0017","8.9695","0.0005","12.2342","0.0007","90","","90","","90","","3249.9","0.3","150","2","150","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C14 H23 F3 N O3 S0.5 -","- C14 H23 F3 N O3 S0.5 -","- C112 H184 F24 N8 O24 S4 -","8","1","","Burke, Emily K.; Robertson, Katherine N.; Speed, Alexander W. H.","Convenient lanthanum-mediated synthesis of bulky <i>tert</i>-alkyl amines from nitriles.","Chemical communications (Cambridge, England)","2025","61","6","1172","1175","10.1039/d4cc05831c","","","1.54178","CuKα","","0.0289","0.0275","","","0.0691","0.0704","","","","","","1.073","","","","has coordinates,has disorder","298022","2025-03-04","18:25:21",""
"7134056","10.7195","0.0004","14.0637","0.0005","13.2599","0.0008","90","","90","","90","","1999.01","0.16","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H18 Br2 O6 -","- C20 H18 Br2 O6 -","- C80 H72 Br8 O24 -","4","1","","Hou, Ming; Jia, Mengjie; Qi, Rui; Zhang, Zhide; He, Linli; Bai, Tianwen; Bao, Chen; Qiu, Guanyinsheng","Ferric nitrene-promoted anti-Markovnikov ring-opening of epoxides and nucleophilic functionalization of benzylic C-H bonds under photo-irradiation.","Chemical communications (Cambridge, England)","2025","61","7","1435","1438","10.1039/d4cc04236k","","x-ray","1.54184","CuKα","","0.0685","0.0593","","","0.1702","0.181","","","","","","1.227","","","","has coordinates","298048","2025-03-04","18:37:48",""
"7134057","8.42054","0.00013","20.9619","0.0002","15.44455","0.00016","90","","96.1582","0.0011","90","","2710.39","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N10 -","- C24 H18 N10 -","- C96 H72 N40 -","4","1","","Wu, Qiong; Wang, Ying-Ao; Wang, Xun; Jiang, Qiao-Qiao; Li, Ya-Jie; Liang, Ru-Ping; Qiu, Jian-Ding","Hydrogen bonded organic framework pores differentially loading triazole for photocatalytic uranium reduction.","Chemical communications (Cambridge, England)","2025","61","8","1649","1652","10.1039/d4cc05924g","","x-ray","1.54184","CuKα","","0.0877","0.0801","","","0.3126","0.3196","","","","","","2.636","","","","has coordinates","298003","2025-03-04","18:15:04",""
"7134058","8.2639","0.0003","20.5086","0.0008","12.6508","0.0005","90","","93.88","0.003","90","","2139.16","0.14","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N10 -","- C24 H18 N10 -","- C96 H72 N40 -","4","1","","Wu, Qiong; Wang, Ying-Ao; Wang, Xun; Jiang, Qiao-Qiao; Li, Ya-Jie; Liang, Ru-Ping; Qiu, Jian-Ding","Hydrogen bonded organic framework pores differentially loading triazole for photocatalytic uranium reduction.","Chemical communications (Cambridge, England)","2025","61","8","1649","1652","10.1039/d4cc05924g","","x-ray","1.54184","CuKα","","0.0468","0.0413","","","0.1146","0.1196","","","","","","1.053","","","","has coordinates","298003","2025-03-04","18:15:05",""
"7134059","11.275","0.0012","13.8596","0.0014","29.694","0.003","90","","90","","90","","4640.2","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 N2 O2 -","- C29 H26 N2 O2 -","- C232 H208 N16 O16 -","8","2","","Chatterjee, Abhijit; Narayanan, Sundaravalli; Thorat, Sachin; Malik, Ajay J.; Ambhore, Madan D.; Narayanan, Aswini; Sihag, Anil Kumar; Santhosh Babu, Sukumaran; Lahiri, Mayurika; Hazra, Partha","Multifunctional luminogens with synergy of aggregation-induced delayed fluorescence, two-photon absorption and photocurrent generation.","Chemical communications (Cambridge, England)","2025","61","7","1447","1450","10.1039/d4cc05113k","","","0.71073","MoKα","","0.1017","0.0661","","","0.1381","0.1539","","","","","","1.076","","","","has coordinates","298051","2025-03-04","18:39:29",""
"7134060","11.184","0.011","13.742","0.013","16.798","0.017","72.17","0.03","74.47","0.03","87.49","0.04","2366","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 N2 O4 -","- C29 H24 N2 O4 -","- C116 H96 N8 O16 -","4","2","","Chatterjee, Abhijit; Narayanan, Sundaravalli; Thorat, Sachin; Malik, Ajay J.; Ambhore, Madan D.; Narayanan, Aswini; Sihag, Anil Kumar; Santhosh Babu, Sukumaran; Lahiri, Mayurika; Hazra, Partha","Multifunctional luminogens with synergy of aggregation-induced delayed fluorescence, two-photon absorption and photocurrent generation.","Chemical communications (Cambridge, England)","2025","61","7","1447","1450","10.1039/d4cc05113k","","","0.71073","MoKα","","0.066","0.0419","","","0.0949","0.1102","","","","","","1.03","","","","has coordinates,has disorder","298051","2025-03-04","18:39:29",""
"7134061","15.833","0.007","10.282","0.004","18.493","0.007","90","","103.027","0.011","90","","2933","2","100","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 N2 O4 -","- C37 H27 N2 O4 -","- C148 H108 N8 O16 -","4","1","","Chatterjee, Abhijit; Narayanan, Sundaravalli; Thorat, Sachin; Malik, Ajay J.; Ambhore, Madan D.; Narayanan, Aswini; Sihag, Anil Kumar; Santhosh Babu, Sukumaran; Lahiri, Mayurika; Hazra, Partha","Multifunctional luminogens with synergy of aggregation-induced delayed fluorescence, two-photon absorption and photocurrent generation.","Chemical communications (Cambridge, England)","2025","61","7","1447","1450","10.1039/d4cc05113k","","","0.71073","MoKα","","0.1638","0.0699","","","0.1458","0.2053","","","","","","1.012","","","","has coordinates,has disorder","298051","2025-03-04","18:39:29",""
"7134062","9.0859","0.0001","9.1611","0.0001","11.4717","0.0002","90","","90","","90","","954.87","0.02","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C32 H48 N8 O24 -","4","1","","Bsoul, Odai; Lampel, Yakir; Rofe, Maayan; Pariente-Cohen, Natalie; Timsit, Chen; Fischer, Bilha","Regioselective N1-ribosylation of hydantoin: synthesis and properties of the first contracted uridine analog.","Chemical communications (Cambridge, England)","2025","61","11","2281","2284","10.1039/d4cc06033d","","x-ray","1.54184","","","0.0245","0.0243","","","0.0629","0.0631","","","","","","1.061","","","","has coordinates","298068","2025-03-04","18:47:19",""
"7134063","8.3493","0.0007","10.3182","0.0008","12.4869","0.001","111.527","0.003","96.606","0.003","104.002","0.003","945.89","0.14","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 O4 -","- C22 H24 O4 -","- C44 H48 O8 -","2","1","","Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Chien, Su-Ying","Synthesis of polysubstituted tetrahydrofurans <i>via</i> visible light-induced De Mayo acetalization of benzoylacetones.","Chemical communications (Cambridge, England)","2025","61","10","2040","2043","10.1039/d4cc05797j","","","0.71073","MoKα","","0.1118","0.0657","","","0.158","0.1925","","","","","","1.036","","","","has coordinates","297991","2025-03-04","18:09:44",""
"7134064","17.2464","0.0004","9.1025","0.0002","25.1237","0.0007","90","","109.707","0.0008","90","","3713.06","0.16","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 F2 O4 -","- C21 H20 F2 O4 -","- C168 H160 F16 O32 -","8","1","","Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Chien, Su-Ying","Synthesis of polysubstituted tetrahydrofurans <i>via</i> visible light-induced De Mayo acetalization of benzoylacetones.","Chemical communications (Cambridge, England)","2025","61","10","2040","2043","10.1039/d4cc05797j","","","1.54178","CuKα","","0.0396","0.0386","","","0.1039","0.105","","","","","","1.025","","","","has coordinates","297991","2025-03-04","18:09:44",""
"7134065","17.4908","0.0004","8.9534","0.0002","24.3196","0.0007","90","","108.54","0.0008","90","","3610.86","0.16","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 O4 -","- C21 H22 O4 -","- C168 H176 O32 -","8","1","","Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Chien, Su-Ying","Synthesis of polysubstituted tetrahydrofurans <i>via</i> visible light-induced De Mayo acetalization of benzoylacetones.","Chemical communications (Cambridge, England)","2025","61","10","2040","2043","10.1039/d4cc05797j","","","1.54178","CuKα","","0.0427","0.0411","","","0.1069","0.1083","","","","","","1.037","","","","has coordinates","297991","2025-03-04","18:09:44",""
"7134066","9.3164","0.0006","10.0835","0.0006","42.612","0.003","90","","90","","90","","4003.1","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Cl N3 O7 -","- C20 H18 Cl N3 O7 -","- C160 H144 Cl8 N24 O56 -","8","2","","Sharma, Manisha; Chauhan, Pankaj","Asymmetric desymmetrization of 2,5-cyclohexadienones initiated by organocatalytic conjugate addition to 4-nitro-5-styrylisoxazoles.","Chemical communications (Cambridge, England)","2025","61","7","1455","1458","10.1039/d4cc06145d","","","1.54178","CuKα","","0.0259","0.0241","","","0.0626","0.063","","","","","","1.058","","","","has coordinates","298047","2025-03-04","18:37:36",""
"7134067","14.4284","0.001","9.8594","0.0007","14.9252","0.0008","90","","90","","90","","2123.2","0.2","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2.1 H2 N0.29 O0.76 -","- C2.09524 H2 N0.285714 O0.761905 -","- C88 H84 N12 O32 -","42","10.5","","Sharma, Manisha; Chauhan, Pankaj","Asymmetric desymmetrization of 2,5-cyclohexadienones initiated by organocatalytic conjugate addition to 4-nitro-5-styrylisoxazoles.","Chemical communications (Cambridge, England)","2025","61","7","1455","1458","10.1039/d4cc06145d","","","0.71073","MoKα","","0.1132","0.0767","","","0.1981","0.2512","","","","","","1.173","","","","has coordinates","298047","2025-03-04","18:37:36",""
"7134068","8.7677","0.0007","9.1717","0.0008","10.1712","0.0009","64.119","0.002","76.342","0.002","77.008","0.002","708.1","0.11","297","2","297","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C34 H28 N4 O6 -","2","1","","Basak, Shubhajit; Paul, Tripti; Nanjegowda, Maniya V.; Punniyamurthy, Tharmalingam","Integrating C-H activation/2-fold annulation: a modular access to heteroaryl-tethered oxazoloisoquinolinones.","Chemical communications (Cambridge, England)","2025","61","8","1693","1696","10.1039/d4cc06123c","","","0.71073","MoKα","","0.0819","0.0605","","","0.1097","0.1161","","","","","","1.189","","","","has coordinates","298000","2025-03-04","18:13:23",""
"7134069","19.5356","0.0011","20.8084","0.0009","21.3316","0.0007","112.614","0.004","102.679","0.004","104.922","0.004","7224.9","0.7","297","0.4","297","0.4","","","","","","","","7","P -1","-P 1","2","","","","- C72.25 H78.5 Mo8 N24 Ni9 O70 P12 -","- C72.25 H78.5 Mo8 N24 Ni9 O70 P12 -","- C144.5 H157 Mo16 N48 Ni18 O140 P24 -","2","1","","Wang, Jie-Fei; Yin, Chun-Xiao; Qi, Jia-Xin; Ma, Yuan-Yuan; Lin, Zheng-Guo; Han, Zhan-Gang","An 18-connected wheel-shaped molybdenum(V) nickel-phosphate cluster for photoelectrochemical sensing of levofloxacin.","Chemical communications (Cambridge, England)","2025","61","9","1914","1917","10.1039/d4cc06389a","","x-ray","1.54184","CuKα","","0.1629","0.112","","","0.3062","0.3466","","","","","","1.133","","","","has coordinates,has disorder","298053","2025-03-04","18:40:03",""
"7134070","11.4528","0.0012","9.0531","0.0009","14.0965","0.0014","90","","92.756","0.002","90","","1459.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 F6 I O3 S2 -","- C10 H9 F6 I O3 S2 -","- C40 H36 F24 I4 O12 S8 -","4","1","","Kraemer, Yannick; Stephens, Alexander M.; Buldt, Jón Atiba; Young, Aurelius; McLoughlin, Connor P.; Fettinger, James C.; Holder, Lauren M.; Pitts, Cody Ross","Strain-release trifluoromethoxylation and pentafluorosulfanoxylation of [1.1.0]bicyclobutanes: expanded access to fluorinated cyclobutane hybrid bioisosteres.","Chemical communications (Cambridge, England)","2025","61","15","3159","3162","10.1039/d4cc06616b","","","0.71073","MoKα","","0.027","0.0254","","","0.0634","0.0645","","","","","","1.092","","","","has coordinates","298063","2025-03-04","18:44:31",""
"7134071","7.5479","0.0004","11.0961","0.0008","12.0292","0.0008","103.921","0.006","97.793","0.005","98.661","0.005","951.11","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","trans,cis-4-Hydroxyhexahydrobenzo[d][1,3]dithiolane-2-thione","","- C14 H20 O2 S6 -","- C14 H20 O2 S6 -","- C28 H40 O4 S12 -","2","1","","López-Aguilar, Marcos; Ríos-Lombardía, Nicolás; Gallegos, Miguel; Barrena-Espés, Daniel; García-Álvarez, Joaquín; Concellón, Carmen; Del Amo, Vicente","Organocatalytic CS<sub>2</sub> insertion into epoxides in neat conditions: a straightforward approach for the efficient synthesis of Di- and tri-thiocarbonates.","Chemical communications (Cambridge, England)","2025","61","17","3488","3491","10.1039/d4cc05154h","","","1.54184","CuKα","","0.0665","0.0531","","","0.147","0.1629","","","","","","1.066","","","","has coordinates,has disorder","298016","2025-03-04","18:21:26",""
"7134072","12.7687","0.0003","8.3272","0.0002","14.0444","0.0004","90","","103.571","0.003","90","","1451.61","0.07","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans,cis-4-(Benzyloxy)hexahydrobenzo[d][1,3]dithiolane-2-thione","","- C14 H16 O S3 -","- C14 H16 O S3 -","- C56 H64 O4 S12 -","4","1","","López-Aguilar, Marcos; Ríos-Lombardía, Nicolás; Gallegos, Miguel; Barrena-Espés, Daniel; García-Álvarez, Joaquín; Concellón, Carmen; Del Amo, Vicente","Organocatalytic CS<sub>2</sub> insertion into epoxides in neat conditions: a straightforward approach for the efficient synthesis of Di- and tri-thiocarbonates.","Chemical communications (Cambridge, England)","2025","61","17","3488","3491","10.1039/d4cc05154h","","","1.54184","CuKα","","0.0494","0.0446","","","0.1188","0.1248","","","","","","1.074","","","","has coordinates","298016","2025-03-04","18:21:26",""
"7134073","23.718","0.0005","5.8719","0.0001","27.5681","0.0005","90","","106.489","0.002","90","","3681.5","0.13","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","trans-(Cyclohexane-1,2-diyl)-dibenzothioate","","- C20 H20 O2 S2 -","- C20 H20 O2 S2 -","- C160 H160 O16 S16 -","8","1","","López-Aguilar, Marcos; Ríos-Lombardía, Nicolás; Gallegos, Miguel; Barrena-Espés, Daniel; García-Álvarez, Joaquín; Concellón, Carmen; Del Amo, Vicente","Organocatalytic CS<sub>2</sub> insertion into epoxides in neat conditions: a straightforward approach for the efficient synthesis of Di- and tri-thiocarbonates.","Chemical communications (Cambridge, England)","2025","61","17","3488","3491","10.1039/d4cc05154h","","","1.54184","CuKα","","0.0394","0.0369","","","0.1026","0.1084","","","","","","1.094","","","","has coordinates","298016","2025-03-04","18:21:26",""
"7134074","9.6259","0.0003","11.2341","0.0003","13.6882","0.0004","90","","109.5","0.001","90","","1395.32","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","","Velichko, Viktoria; Moi, Davide; Soddu, Francesco; Scipione, Roberto; Podda, Enrico; Luridiana, Alberto; Cambie, Dario; Secci, Francesco; Cabua, Maria Chiara","Two-step continuous flow-driven synthesis of 1,1-cyclopropane aminoketones.","Chemical communications (Cambridge, England)","2025","61","7","1391","1394","10.1039/d4cc04089a","","x-ray","0.71073","MoKα","","0.0672","0.059","","","0.1455","0.1509","","","","","","1.077","","","","has coordinates","298050","2025-03-04","18:38:47",""
"7134075","7.4979","0.0005","11.2676","0.0006","22.489","0.0012","90","","90","","90","","1899.95","0.19","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H11 N O -","- C12 H11 N O -","- C96 H88 N8 O8 -","8","2","","Velichko, Viktoria; Moi, Davide; Soddu, Francesco; Scipione, Roberto; Podda, Enrico; Luridiana, Alberto; Cambie, Dario; Secci, Francesco; Cabua, Maria Chiara","Two-step continuous flow-driven synthesis of 1,1-cyclopropane aminoketones.","Chemical communications (Cambridge, England)","2025","61","7","1391","1394","10.1039/d4cc04089a","","x-ray","0.71073","MoKα","","0.074","0.0503","","","0.1142","0.1285","","","","","","1.033","","","","has coordinates","298050","2025-03-04","18:38:49",""
"7134076","9.285","0.0003","14.3459","0.0004","18.9431","0.0005","90","","90","","90","","2523.25","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C120 H128 N16 O8 -","8","1","","Velichko, Viktoria; Moi, Davide; Soddu, Francesco; Scipione, Roberto; Podda, Enrico; Luridiana, Alberto; Cambie, Dario; Secci, Francesco; Cabua, Maria Chiara","Two-step continuous flow-driven synthesis of 1,1-cyclopropane aminoketones.","Chemical communications (Cambridge, England)","2025","61","7","1391","1394","10.1039/d4cc04089a","","x-ray","0.71073","MoKα","","0.052","0.0399","","","0.0965","0.1058","","","","","","1.029","","","","has coordinates","298050","2025-03-04","18:39:02",""
"7134077","10.9369","0.0003","16.1988","0.0005","8.7551","0.0002","90","","101.114","0.001","90","","1522","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N2 O -","- C17 H22 N2 O -","- C68 H88 N8 O4 -","4","1","","Velichko, Viktoria; Moi, Davide; Soddu, Francesco; Scipione, Roberto; Podda, Enrico; Luridiana, Alberto; Cambie, Dario; Secci, Francesco; Cabua, Maria Chiara","Two-step continuous flow-driven synthesis of 1,1-cyclopropane aminoketones.","Chemical communications (Cambridge, England)","2025","61","7","1391","1394","10.1039/d4cc04089a","","x-ray","0.71073","MoKα","","0.0445","0.0388","","","0.0969","0.1014","","","","","","1.05","","","","has coordinates","298050","2025-03-04","18:39:02",""
"7134078","7.8722","0.0001","11.3433","0.0002","11.6527","0.0001","102.589","0.001","97.771","0.001","108.925","0.001","936.44","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 Cl O2 -","- C23 H19 Cl O2 -","- C46 H38 Cl2 O4 -","2","1","","Maurya, Naveen Kumar; Singh, Anushka; Sahu, Ankita; Kumar, Asit; Kant, Ruchir; Rao, Vishal Govind; Shukla, Sanjeev K.; Kuram, Malleswara Rao","Suzuki-Miyaura/Mizoroki-Heck coupling cascade to access 2,2'-bifunctionalized biaryls.","Chemical communications (Cambridge, England)","2025","61","8","1673","1676","10.1039/d4cc05763e","","x-ray","1.54184","CuKα","","0.0435","0.0402","","","0.1078","0.1105","","","","","","1.07","","","","has coordinates","297999","2025-03-04","18:13:10",""
"7134079","9.8733","0.0003","10.6192","0.0003","15.7019","0.0004","75.269","0.002","87.92","0.002","74.052","0.003","1529.9","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H43 Au N2 O S2 -","- C30 H43 Au N2 O S2 -","- C60 H86 Au2 N4 O2 S4 -","2","1","","Chakraborty, Supratim; Gorski, Aleksander; Danylyuk, Oksana; Niemirowicz-Laskowska, Katarzyna; Car, Halina; Michalak, Michał","NHC-Au-xanthate complexes.","Chemical communications (Cambridge, England)","2025","61","8","1697","1700","10.1039/d4cc05193a","","","0.71073","MoKα","","0.0463","0.0404","","","0.1048","0.1066","","","","","","0.981","","","","has coordinates","298001","2025-03-04","18:14:26",""
"7134080","9.7973","0.0003","10.8525","0.0003","13.7903","0.0003","95.648","0.002","102.28","0.002","102.271","0.002","1384.05","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H37 Au N2 O S2 -","- C27 H37 Au N2 O S2 -","- C54 H74 Au2 N4 O2 S4 -","2","1","","Chakraborty, Supratim; Gorski, Aleksander; Danylyuk, Oksana; Niemirowicz-Laskowska, Katarzyna; Car, Halina; Michalak, Michał","NHC-Au-xanthate complexes.","Chemical communications (Cambridge, England)","2025","61","8","1697","1700","10.1039/d4cc05193a","","","0.71073","MoKα","","0.0287","0.0255","","","0.0609","0.063","","","","","","0.98","","","","has coordinates","298001","2025-03-04","18:14:26",""
"7134081","9.842","0.0003","10.616","0.0002","16.007","0.0002","95.845","0.001","90.495","0.002","102.376","0.002","1624.3","0.06","250","0.1","250","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H43 Au N2 O S2 -","- C30 H43 Au N2 O S2 -","- C60 H86 Au2 N4 O2 S4 -","2","1","","Chakraborty, Supratim; Gorski, Aleksander; Danylyuk, Oksana; Niemirowicz-Laskowska, Katarzyna; Car, Halina; Michalak, Michał","NHC-Au-xanthate complexes.","Chemical communications (Cambridge, England)","2025","61","8","1697","1700","10.1039/d4cc05193a","","","0.71073","MoKα","","0.0584","0.0456","","","0.1176","0.1231","","","","","","0.957","","","","has coordinates","298001","2025-03-04","18:14:26",""
"7134082","9.776","0.005","10.758","0.005","16.921","0.005","80.495","0.005","84.846","0.005","77.081","0.005","1708.1","1.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C33 H49 Au N2 O S2 -","- C33 H49 Au N2 O S2 -","- C66 H98 Au2 N4 O2 S4 -","2","1","","Chakraborty, Supratim; Gorski, Aleksander; Danylyuk, Oksana; Niemirowicz-Laskowska, Katarzyna; Car, Halina; Michalak, Michał","NHC-Au-xanthate complexes.","Chemical communications (Cambridge, England)","2025","61","8","1697","1700","10.1039/d4cc05193a","","","0.71073","MoKα","","0.0709","0.0531","","","0.1079","0.1114","","","","","","0.972","","","","has coordinates","298001","2025-03-04","18:14:26",""
"7134083","8.7451","0.0001","13.8159","0.0001","23.7678","0.0002","90","","96.404","0.001","90","","2853.74","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 Au Br N3 S2 -","- C30 H31 Au Br N3 S2 -","- C120 H124 Au4 Br4 N12 S8 -","4","1","","Chakraborty, Supratim; Gorski, Aleksander; Danylyuk, Oksana; Niemirowicz-Laskowska, Katarzyna; Car, Halina; Michalak, Michał","NHC-Au-xanthate complexes.","Chemical communications (Cambridge, England)","2025","61","8","1697","1700","10.1039/d4cc05193a","","","0.71073","MoKα","","0.0402","0.0311","","","0.0658","0.0694","","","","","","1.07","","","","has coordinates","298001","2025-03-04","18:14:26",""
"7134084","24.7221","0.0004","14.5417","0.0002","24.1478","0.0004","90","","113.02","0.002","90","","7989.9","0.2","100","0.1","100","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C37 H44.5 Au Br Cl2.5 N3 S2 -","- C36 H43 Au Br N3 S2 -","- C288 H344 Au8 Br8 N24 S16 -","8","1","","Chakraborty, Supratim; Gorski, Aleksander; Danylyuk, Oksana; Niemirowicz-Laskowska, Katarzyna; Car, Halina; Michalak, Michał","NHC-Au-xanthate complexes.","Chemical communications (Cambridge, England)","2025","61","8","1697","1700","10.1039/d4cc05193a","","","0.71073","MoKα","","0.0431","0.0324","","","0.0776","0.0837","","","","","","1.028","","","","has coordinates","298001","2025-03-04","18:14:26",""
"7134085","18.833","0.0002","24.6372","0.0002","25.5224","0.0002","90","","90","","90","","11842.2","0.18","100","0.1","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C73 H63 Au Cl2 N2 O S2 -","- C73 H63 Au Cl2 N2 O S2 -","- C584 H504 Au8 Cl16 N16 O8 S16 -","8","1","","Chakraborty, Supratim; Gorski, Aleksander; Danylyuk, Oksana; Niemirowicz-Laskowska, Katarzyna; Car, Halina; Michalak, Michał","NHC-Au-xanthate complexes.","Chemical communications (Cambridge, England)","2025","61","8","1697","1700","10.1039/d4cc05193a","","","0.71073","MoKα","","0.0649","0.0271","","","0.063","0.0679","","","","","","0.802","","","","has coordinates","298001","2025-03-04","18:14:26",""
"7134086","18.8852","0.0004","10.4643","0.0002","32.3771","0.0006","90","","106.267","0.002","90","","6142.2","0.2","100","0.1","100","0.1","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C34 H34 Au N3 S2 -","- C34 H34 Au N3 S2 -","- C272 H272 Au8 N24 S16 -","8","2","","Chakraborty, Supratim; Gorski, Aleksander; Danylyuk, Oksana; Niemirowicz-Laskowska, Katarzyna; Car, Halina; Michalak, Michał","NHC-Au-xanthate complexes.","Chemical communications (Cambridge, England)","2025","61","8","1697","1700","10.1039/d4cc05193a","","","0.71073","MoKα","","0.0376","0.0367","","","0.0859","0.087","","","","","","0.985","","","","has coordinates","298001","2025-03-04","18:14:26",""
"7134087","10.7924","0.0002","21.8418","0.0004","11.5554","0.0002","90","","103.124","0.002","90","","2652.76","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Au N2 O S2 -","- C25 H37 Au N2 O S2 -","- C100 H148 Au4 N8 O4 S8 -","4","1","","Chakraborty, Supratim; Gorski, Aleksander; Danylyuk, Oksana; Niemirowicz-Laskowska, Katarzyna; Car, Halina; Michalak, Michał","NHC-Au-xanthate complexes.","Chemical communications (Cambridge, England)","2025","61","8","1697","1700","10.1039/d4cc05193a","","","0.71073","MoKα","","0.0459","0.0365","","","0.0854","0.0934","","","","","","1.061","","","","has coordinates,has disorder","298001","2025-03-04","18:14:26",""
"7134088","12.7865","0.0003","18.6284","0.0005","24.3015","0.0007","90","","93.93","0.002","90","","5774.8","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H61 Au N2 O S2 -","- C72 H61 Au N2 O S2 -","- C288 H244 Au4 N8 O4 S8 -","4","1","","Chakraborty, Supratim; Gorski, Aleksander; Danylyuk, Oksana; Niemirowicz-Laskowska, Katarzyna; Car, Halina; Michalak, Michał","NHC-Au-xanthate complexes.","Chemical communications (Cambridge, England)","2025","61","8","1697","1700","10.1039/d4cc05193a","","","0.71073","MoKα","","0.0593","0.0333","","","0.0665","0.0708","","","","","","0.916","","","","has coordinates","298001","2025-03-04","18:14:26",""
"7134089","15.7943","0.0001","18.7129","0.0001","24.211","0.0002","90","","105.269","0.001","90","","6903.14","0.09","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H67 Au Cl6 N2 O3 S2 -","- C75 H67 Au Cl6 N2 O3 S2 -","- C300 H268 Au4 Cl24 N8 O12 S8 -","4","1","","Chakraborty, Supratim; Gorski, Aleksander; Danylyuk, Oksana; Niemirowicz-Laskowska, Katarzyna; Car, Halina; Michalak, Michał","NHC-Au-xanthate complexes.","Chemical communications (Cambridge, England)","2025","61","8","1697","1700","10.1039/d4cc05193a","","","0.71073","MoKα","","0.0432","0.0327","","","0.0758","0.0819","","","","","","1.031","","","","has coordinates,has disorder","298001","2025-03-04","18:14:26",""
"7134090","31.6408","0.0004","8.4069","0.0001","51.1168","0.0005","90","","91.22","0.001","90","","13594","0.3","100","0.1","100","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C35 H35 Au Cl2 N2 O S2 -","- C35 H35 Au Cl2 N2 O S2 -","- C560 H560 Au16 Cl32 N32 O16 S32 -","16","2","","Chakraborty, Supratim; Gorski, Aleksander; Danylyuk, Oksana; Niemirowicz-Laskowska, Katarzyna; Car, Halina; Michalak, Michał","NHC-Au-xanthate complexes.","Chemical communications (Cambridge, England)","2025","61","8","1697","1700","10.1039/d4cc05193a","","","1.54184","CuKα","","0.087","0.0767","","","0.1908","0.1972","","","","","","1.152","","","","has coordinates","298001","2025-03-04","18:14:26",""
"7134091","33.6105","0.0006","13.3921","0.0002","13.4561","0.0003","90","","106.089","0.001","90","","5819.56","0.19","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H29 F4 N5 O2 Pd0.51 Pt0.49 -","- C34 H29 F4 N5 O2 Pd0.514 Pt0.486 -","- C272 H232 F32 N40 O16 Pd4.112 Pt3.888 -","8","1","","Theiss, Tobias; Buss, Stefan; Maisuls, Iván; Block, Theresa; Kösters, Jutta; Pöttgen, Rainer; Strassert, Cristian A.","Heterobimetallic contacts in statistical co-crystals of homoleptic coordination compounds with ligand-encoded H⋯F bonds: structure, photophysics and mechano-responsive properties.","Chemical communications (Cambridge, England)","2025","61","7","1387","1390","10.1039/d4cc03784g","","","0.71073","MoKα","","0.0551","0.0484","","","0.1373","0.1434","","","","","","1.109","","","","has coordinates,has disorder","298049","2025-03-04","18:38:22",""
"7134092","33.5939","0.0016","13.4092","0.0006","13.4299","0.0006","90","","106.123","0.004","90","","5811.8","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H29 F4 N5 O2 Pd0.73 Pt0.27 -","- C34 H29 F4 N5 O2 Pd0.728 Pt0.272 -","- C272 H232 F32 N40 O16 Pd5.824 Pt2.176 -","8","1","","Theiss, Tobias; Buss, Stefan; Maisuls, Iván; Block, Theresa; Kösters, Jutta; Pöttgen, Rainer; Strassert, Cristian A.","Heterobimetallic contacts in statistical co-crystals of homoleptic coordination compounds with ligand-encoded H⋯F bonds: structure, photophysics and mechano-responsive properties.","Chemical communications (Cambridge, England)","2025","61","7","1387","1390","10.1039/d4cc03784g","","","0.71073","MoKα","","0.1179","0.0775","","","0.2082","0.2455","","","","","","1.056","","","","has coordinates,has disorder","298049","2025-03-04","18:38:25",""
"7134093","33.6117","0.0011","13.4013","0.0005","13.4173","0.0006","90","","105.988","0.003","90","","5809.9","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H29 F4 N5 O2 Pd0.27 Pt0.73 -","- C34 H29 F4 N5 O2 Pd0.266 Pt0.734 -","- C272 H232 F32 N40 O16 Pd2.128 Pt5.872 -","8","1","","Theiss, Tobias; Buss, Stefan; Maisuls, Iván; Block, Theresa; Kösters, Jutta; Pöttgen, Rainer; Strassert, Cristian A.","Heterobimetallic contacts in statistical co-crystals of homoleptic coordination compounds with ligand-encoded H⋯F bonds: structure, photophysics and mechano-responsive properties.","Chemical communications (Cambridge, England)","2025","61","7","1387","1390","10.1039/d4cc03784g","","","0.71073","MoKα","","0.0947","0.0761","","","0.2116","0.2321","","","","","","1.107","","","","has coordinates,has disorder","298049","2025-03-04","18:38:25",""
"7134094","13.4171","0.0006","15.9626","0.0008","26.6148","0.0012","89.991","0.001","89.989","0.001","103.052","0.001","5552.9","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C108 H103 N12 Ni2 O8 S8 -","- C108 H103 N12 Ni2 O8 S8 -","- C216 H206 N24 Ni4 O16 S16 -","2","1","","Saini, Rajat; Chauhan, Rahul; Singh, Sain; Saini, Saakshi; Navale, Govinda R.; Panwar, Abhishek; Kukreti, Prashant; Ahmed, Imtiaz; Roy, Partha; Ghosh, Kaushik","A biocompatible Ni(II) complex as an amyloid sensor for human PrP<sub>106-126</sub> fibrillar aggregates.","Chemical communications (Cambridge, England)","2025","61","9","1862","1865","10.1039/d4cc04335a","","","0.71073","MoKα","","0.0412","0.0349","","","0.0951","0.0996","","","","","","1.049","","","","has coordinates","298060","2025-03-04","18:43:24",""
"7134095","12.7618","0.0002","12.7618","0.0002","7.634","0.0002","90","","90","","120","","1076.73","0.04","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C6 H6 Cd N8 O4 -","- C6 H6 Cd N8 O4 -","- C18 H18 Cd3 N24 O12 -","3","0.5","","Liang, Linfeng; Ding, Yin-Kang; Yin, Yang; Yang, Feng-Fan; Yang, Jing","Synthesis of an ammelide-based ultra-microporous Cd-MOF for sensitive detection of dichromate ions.","Chemical communications (Cambridge, England)","2025","61","9","1834","1837","10.1039/d4cc05516k","","","0.71073","MoKα","","0.0338","0.0327","","","0.0888","0.0892","","","","","","1.125","","","","has coordinates","298055","2025-03-04","18:40:48",""
"7134096","7.3339","0.0003","10.224","0.0004","17.7791","0.0007","102.384","0.001","90.313","0.001","107.734","0.001","1236.62","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13.5 H40.5 Al1.5 Ce In2.01 -","- C13.5 H40.5 Al1.4942 Ce In2.0058 -","- C27 H81 Al2.9884 Ce2 In4.0116 -","2","1","","Wetzel, Philipp; Maichle-Mössmer, Cäcilia; Anwander, Reiner","A homoleptic rare-earth-metal tetramethylindate.","Chemical communications (Cambridge, England)","2025","61","10","2123","2126","10.1039/d4cc06213b","","","0.71073","MoKα","","0.0256","0.0242","","","0.0561","0.0572","","","","","","1.073","","","","has coordinates","297990","2025-03-04","18:09:16",""
"7134097","7.9042","0.0002","14.4643","0.0004","18.5115","0.0005","90","","94.764","0.001","90","","2109.08","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H36 In3 La -","- C12 H36 In3 La -","- C48 H144 In12 La4 -","4","1","","Wetzel, Philipp; Maichle-Mössmer, Cäcilia; Anwander, Reiner","A homoleptic rare-earth-metal tetramethylindate.","Chemical communications (Cambridge, England)","2025","61","10","2123","2126","10.1039/d4cc06213b","","","0.71073","MoKα","","0.0263","0.0244","","","0.0726","0.0739","","","","","","1.087","","","","has coordinates","297990","2025-03-04","18:09:17",""
"7134098","9.1039","0.0007","22.1363","0.0017","12.8721","0.001","90","","109.459","0.002","90","","2445.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C31 H71 In7 La4 -","- C31 H71 In7 La4 -","- C62 H142 In14 La8 -","2","0.5","","Wetzel, Philipp; Maichle-Mössmer, Cäcilia; Anwander, Reiner","A homoleptic rare-earth-metal tetramethylindate.","Chemical communications (Cambridge, England)","2025","61","10","2123","2126","10.1039/d4cc06213b","","","0.71073","MoKα","","0.0421","0.0386","","","0.0897","0.0912","","","","","","1.129","","","","has coordinates,has disorder","297990","2025-03-04","18:09:17",""
"7134099","8.8745","0.0008","21.0266","0.0019","17.2739","0.0016","90","","100.987","0.003","90","","3164.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H60 In La N6 -","- C24 H60 In La N6 -","- C96 H240 In4 La4 N24 -","4","1","","Wetzel, Philipp; Maichle-Mössmer, Cäcilia; Anwander, Reiner","A homoleptic rare-earth-metal tetramethylindate.","Chemical communications (Cambridge, England)","2025","61","10","2123","2126","10.1039/d4cc06213b","","","0.71073","MoKα","","0.038","0.0306","","","0.0726","0.0762","","","","","","1.072","","","","has coordinates","297990","2025-03-04","18:09:17",""
"7134100","21.745","0.003","12.518","0.0016","23.97","0.003","90","","102.265","0.002","90","","6375.8","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H78 In9 La5 -","- C30 H78 In9 La5 -","- C120 H312 In36 La20 -","4","0.5","","Wetzel, Philipp; Maichle-Mössmer, Cäcilia; Anwander, Reiner","A homoleptic rare-earth-metal tetramethylindate.","Chemical communications (Cambridge, England)","2025","61","10","2123","2126","10.1039/d4cc06213b","","","0.71073","MoKα","","0.0692","0.0639","","","0.1887","0.1952","","","","","","1.046","","","","has coordinates","297990","2025-03-04","18:09:17",""
"7134101","13.1154","0.0005","13.3027","0.0005","14.6787","0.0006","68.518","0.001","86.752","0.001","61.531","0.001","2073.04","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.5 H67 Al0.39 Ce3 In3.61 O -","- C26.5 H67 Al0.396 Ce3 In3.604 O -","- C53 H134 Al0.792 Ce6 In7.208 O2 -","2","1","","Wetzel, Philipp; Maichle-Mössmer, Cäcilia; Anwander, Reiner","A homoleptic rare-earth-metal tetramethylindate.","Chemical communications (Cambridge, England)","2025","61","10","2123","2126","10.1039/d4cc06213b","","","0.71073","MoKα","","0.0398","0.0321","","","0.0745","0.08","","","","","","1.082","","","","has coordinates,has disorder","297990","2025-03-04","18:09:17",""
"7134102","10.88","0.002","11.111","0.002","11.83","0.002","102.29","0.03","101.18","0.03","108.62","0.03","1270.1","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H38 Co2 O6 P6 -","- C56 H38 Co2 O6 P6 -","- C56 H38 Co2 O6 P6 -","1","0.5","","Zuber, David; Storcheva, Oksana; Lüdtke, Karsten Paul; Brunk, Leonidas; Coburger, Peter","Redox-induced dimerisations of a phosphacyclic biradicaloid.","Chemical communications (Cambridge, England)","2025","61","13","2798","2801","10.1039/d4cc05656f","","","0.71073","MoKα","","0.0897","0.052","","","0.1171","0.1311","","","","","","1.016","","","","has coordinates","298036","2025-03-04","18:32:42",""
"7134103","10.009","0.002","10.093","0.002","12.978","0.003","75.18","0.03","67.7","0.03","81.28","0.03","1170.5","0.5","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H19 P3 -","- C25 H19 P3 -","- C50 H38 P6 -","2","1","","Zuber, David; Storcheva, Oksana; Lüdtke, Karsten Paul; Brunk, Leonidas; Coburger, Peter","Redox-induced dimerisations of a phosphacyclic biradicaloid.","Chemical communications (Cambridge, England)","2025","61","13","2798","2801","10.1039/d4cc05656f","","","0.71073","MoKα","","0.0353","0.0293","","","0.0763","0.0788","","","","","","1.052","","","","has coordinates","298036","2025-03-04","18:32:42",""
"7134104","13.612","0.003","13.639","0.003","15.969","0.003","98.95","0.03","94.55","0.03","105.38","0.03","2801","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H42 B2 Cl4 F8 P6 -","- C52 H42 B2 Cl4 F8 P6 -","- C104 H84 B4 Cl8 F16 P12 -","2","1","","Zuber, David; Storcheva, Oksana; Lüdtke, Karsten Paul; Brunk, Leonidas; Coburger, Peter","Redox-induced dimerisations of a phosphacyclic biradicaloid.","Chemical communications (Cambridge, England)","2025","61","13","2798","2801","10.1039/d4cc05656f","","","0.71073","MoKα","","0.0806","0.0462","","","0.1011","0.1122","","","","","","1.029","","","","has coordinates","298036","2025-03-04","18:32:42",""
"7134105","6.151","0.003","14.019","0.007","7.211","0.003","90","","95.579","0.017","90","","618.9","0.5","99","","99","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C30 H26 N2 O6 -","2","1","","Sah, Pooja; Kapur, Manmohan","Palladium-catalyzed distal γ- and ε-benzylation, allylation and allenylation of enones.","Chemical communications (Cambridge, England)","2025","61","9","1874","1877","10.1039/d4cc05607h","","","0.71073","MoKα","","0.1289","0.0684","","","0.1446","0.1762","","","","","","1.024","","","","has coordinates,has disorder","298058","2025-03-04","18:42:08",""
"7134106","7.1533","0.0011","12.457","0.003","14.899","0.002","90","","90","","90","","1327.6","0.4","99","","99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Sah, Pooja; Kapur, Manmohan","Palladium-catalyzed distal γ- and ε-benzylation, allylation and allenylation of enones.","Chemical communications (Cambridge, England)","2025","61","9","1874","1877","10.1039/d4cc05607h","","","0.71073","MoKα","","0.1317","0.0753","","","0.1722","0.2105","","","","","","1.029","","","","has coordinates,has disorder","298058","2025-03-04","18:42:09",""
"7134107","11.3873","0.0002","7.6271","0.0001","15.5891","0.0003","90","","90","","90","","1353.95","0.04","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H14 N2 O3 S -","- C14 H14 N2 O3 S -","- C56 H56 N8 O12 S4 -","4","1","","Zhang, Jie; Li, Xiaolan; Chen, Guisheng; Liu, Haidong; Luo, Haiqing","Electro-catalyzed, solvent-controlled divergent decarboxylative annulation and hydroaminomethylation of cyclic aldimines with <i>N</i>-arylglycines.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d4cc05582a","","x-ray","1.54184","CuKα","","0.0379","0.0349","","","0.0883","0.0895","","","","","","1.06","","","","has coordinates","297045","2025-01-02","23:00:04",""
"7134108","13.6564","0.0002","14.5752","0.0004","15.8044","0.0004","115.334","0.003","98.0777","0.0016","92.7062","0.0016","2794.71","0.13","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C80 H26 Cl6 F6 Ir2 Li N O4 S2 -","- C80 H26 Cl6 F6 Ir2 Li N O4 S2 -","- C160 H52 Cl12 F12 Ir4 Li2 N2 O8 S4 -","2","1","","Fukushi, Chinari; Komuro, Takashi; Hashimoto, Hisako","Dinuclear iridium complexes ligated by lithium-ion endohedral fullerene Li<sup>+</sup>@C<sub>60</sub>.","Chemical communications (Cambridge, England)","2025","61","11","2273","2276","10.1039/d4cc05485g","","","0.71073","MoKα","","0.0438","0.0362","","","0.0909","0.0947","","","","","","1.034","","","","has coordinates,has disorder","298070","2025-03-04","18:48:07",""
"7134109","13.6166","0.0002","14.6678","0.0003","15.8666","0.0003","115.567","0.0019","97.7068","0.0014","93.1991","0.0013","2809.83","0.1","150","2","150","2","","","","","","","","10","P -1","-P 1","2","","","","- C80 H26 Br2 Cl4 F6 Ir2 Li N O4 S2 -","- C80 H26 Br2 Cl4 F6 Ir2 Li N O4 S2 -","- C160 H52 Br4 Cl8 F12 Ir4 Li2 N2 O8 S4 -","2","1","","Fukushi, Chinari; Komuro, Takashi; Hashimoto, Hisako","Dinuclear iridium complexes ligated by lithium-ion endohedral fullerene Li<sup>+</sup>@C<sub>60</sub>.","Chemical communications (Cambridge, England)","2025","61","11","2273","2276","10.1039/d4cc05485g","","","0.71073","MoKα","","0.0556","0.0393","","","0.0956","0.102","","","","","","1.037","","","","has coordinates,has disorder","298070","2025-03-04","18:48:08",""
"7134110","13.6521","0.0003","14.7289","0.0003","16.0559","0.0003","115.704","0.002","97.1726","0.0018","93.7882","0.0018","2860.07","0.12","150","2","150.15","","","","","","","","","10","P -1","-P 1","2","","","","- C80 H26 Cl4 F6 I2 Ir2 Li N O4 S2 -","- C80 H26 Cl4 F6 I2 Ir2 Li N O4 S2 -","- C160 H52 Cl8 F12 I4 Ir4 Li2 N2 O8 S4 -","2","1","","Fukushi, Chinari; Komuro, Takashi; Hashimoto, Hisako","Dinuclear iridium complexes ligated by lithium-ion endohedral fullerene Li<sup>+</sup>@C<sub>60</sub>.","Chemical communications (Cambridge, England)","2025","61","11","2273","2276","10.1039/d4cc05485g","","","0.71073","MoKα","","0.0537","0.0432","","","0.1148","0.1209","","","","","","1.035","","","","has coordinates,has disorder","298070","2025-03-04","18:48:08",""
"7134111","27.6432","0.0009","27.6432","0.0009","15.0008","0.0006","90","","90","","120","","9927.1","0.6","150","2","150","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C99.51 H110.04 N12 O22.51 P -","- C87 H63 N12 O10 P -","- C348 H252 N48 O40 P4 -","4","0.333333","","Li, Ran; Deng, Xuan; Yin, Fan; Duan, Xiao-Fang; Zhou, Li-Peng; Zhou, Yang; Guo, Xiao-Qing; Sun, Qing-Fu","Sensitive detection of formaldehyde <i>via</i> a luminescent distorted Eu<sub>4</sub>L<sub>4</sub> tetrahedral cage.","Chemical communications (Cambridge, England)","2025","61","10","2135","2138","10.1039/d4cc05823b","","","1.54184","CuKα","","0.1494","0.1275","","","0.3741","0.3967","","","","","","1.44","","","","has coordinates","297987","2025-03-04","18:08:10",""
"7134112","30.1287","0.0005","30.1287","0.0005","64.0464","0.0016","90","","90","","90","","58137","2","100","0.4","100","0.4","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C348 H260 Eu4 N48 O44 P4 -","- C348 H260 Eu4 N48 O44 P4 -","- C1392 H1040 Eu16 N192 O176 P16 -","4","0.25","","Li, Ran; Deng, Xuan; Yin, Fan; Duan, Xiao-Fang; Zhou, Li-Peng; Zhou, Yang; Guo, Xiao-Qing; Sun, Qing-Fu","Sensitive detection of formaldehyde <i>via</i> a luminescent distorted Eu<sub>4</sub>L<sub>4</sub> tetrahedral cage.","Chemical communications (Cambridge, England)","2025","61","10","2135","2138","10.1039/d4cc05823b","","x-ray","1.3405","GaKα","","0.1401","0.1087","","","0.2875","0.3126","","","","","","1.198","","","","has coordinates","297987","2025-03-04","18:08:11",""
"7134113","8.0273","0.0004","12.4667","0.0006","14.3129","0.0007","86.519","0.001","75.119","0.001","88.28","0.001","1381.6","0.12","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H52 Cl2 Mn N4 O12 -","- C56 H52 Cl2 Mn N4 O12 -","- C56 H52 Cl2 Mn N4 O12 -","1","0.5","","Saha, Shankhadeep; Maity, Sayani; Samanta, Bapan; Ghosh, Riya; Bhattacharyya, Kalishankar; Mondal, Biplab","Photo-induced nitroxyl anion/HNO release from a nitrosyl complex of Mn(II)-porphyrinate.","Chemical communications (Cambridge, England)","2025","61","11","2353","2356","10.1039/d4cc06203e","","","0.71073","MoKα","","0.0741","0.0615","","","0.1797","0.1998","","","","","","1.053","","","","has coordinates","298069","2025-03-04","18:47:44",""
"7134114","7.981","0.003","12.383","0.005","14.282","0.006","85.706","0.012","76.649","0.012","87.299","0.013","1368.8","1","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 Mn N4 O14 -","- C56 H54 Mn N4 O14 -","- C56 H54 Mn N4 O14 -","1","0.5","","Saha, Shankhadeep; Maity, Sayani; Samanta, Bapan; Ghosh, Riya; Bhattacharyya, Kalishankar; Mondal, Biplab","Photo-induced nitroxyl anion/HNO release from a nitrosyl complex of Mn(II)-porphyrinate.","Chemical communications (Cambridge, England)","2025","61","11","2353","2356","10.1039/d4cc06203e","","","0.71073","MoKα","","0.1118","0.0728","","","0.1944","0.2132","","","","","","1.059","","","","has coordinates","298069","2025-03-04","18:47:44",""
"7134115","15.425","0.005","22.911","0.007","25.451","0.008","90","","105.144","0.009","90","","8682","5","297","","297","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C83 H81 B Cl3 Mn N4 O14 -","- C83 H81 B Cl3 Mn N4 O14 -","- C332 H324 B4 Cl12 Mn4 N16 O56 -","4","1","","Saha, Shankhadeep; Maity, Sayani; Samanta, Bapan; Ghosh, Riya; Bhattacharyya, Kalishankar; Mondal, Biplab","Photo-induced nitroxyl anion/HNO release from a nitrosyl complex of Mn(II)-porphyrinate.","Chemical communications (Cambridge, England)","2025","61","11","2353","2356","10.1039/d4cc06203e","","","0.71073","MoKα","","0.142","0.096","","","0.2324","0.2688","","","","","","1.073","","","","has coordinates","298069","2025-03-04","18:47:44",""
"7134116","12.159","0.002","15.314","0.003","22.569","0.004","90","","90","","90","","4202.4","1.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 F3 N2 O3 -","- C22 H21 F3 N2 O3 -","- C176 H168 F24 N16 O24 -","8","2","","Zhao, LuLu; Yang, Jianjing; Yan, Kelu; Cheng, Xingda; Xiao, Ziyang; Wen, Jiangwei","Electrochemistry-enabled Ir-catalyzed C-H/N-N bond activation facilitates [3+2] annulation of phenidones with propiolates.","Chemical communications (Cambridge, England)","2025","61","10","2079","2082","10.1039/d4cc03124e","","","0.71073","MoKα","","0.0778","0.0477","","","0.1071","0.1242","","","","","","1.021","","","","has coordinates","297986","2025-03-04","18:07:42",""
"7134117","13.152","0.002","13.561","0.002","14.16","0.002","75.977","0.005","83.773","0.005","62.963","0.004","2182.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 F3 Ir N2 O -","- C22 H26 F3 Ir N2 O -","- C88 H104 F12 Ir4 N8 O4 -","4","2","","Zhao, LuLu; Yang, Jianjing; Yan, Kelu; Cheng, Xingda; Xiao, Ziyang; Wen, Jiangwei","Electrochemistry-enabled Ir-catalyzed C-H/N-N bond activation facilitates [3+2] annulation of phenidones with propiolates.","Chemical communications (Cambridge, England)","2025","61","10","2079","2082","10.1039/d4cc03124e","","","0.71073","MoKα","","0.0423","0.0277","","","0.0535","0.0583","","","","","","1.023","","","","has coordinates","297986","2025-03-04","18:07:43",""
"7134118","18.6919","0.0002","12.5245","0.0001","13.2237","0.0001","90","","90.017","0.001","90","","3095.76","0.05","120","2","120","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B5 Br5 S -","- B5 Br5 S -","- B60 Br60 S12 -","12","3","","Keller, Willi; Ballmann, Joachim; Fanfrlík, Jindřich; Hnyk, Drahomír","The synthesis and structural aspects of the perbromo-functionalised thiaboranes <i>closo</i>-SB<sub><i>n</i></sub>Br<sub><i>n</i></sub> (<i>n</i> = 5, 9, 11): the solid-state structure of the octahedral <i>closo</i>-SB<sub>5</sub>Br<sub>5</sub>, governed by strong dihalogen contacts.","Chemical communications (Cambridge, England)","2025","61","12","2528","2531","10.1039/d4cc06334a","","x-ray","0.71073","MoKα","","0.0362","0.0233","","","0.0464","0.0499","","","","","","1.024","","","","has coordinates","298077","2025-03-04","18:50:06",""
"7134119","8.6443","0.0004","6.737","0.0003","10.0988","0.0005","90","","110.99","0.005","90","","549.09","0.05","293","","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H13 B3 Cl N -","- C9 H13 B3 Cl N -","- C18 H26 B6 Cl2 N2 -","2","0.5","","Chen, Xi-Meng; Chi, Jing-Xian; Li, Yin-Yin; Ge, Yi-Wen; Wang, Peng; Wang, Hongju; Jiang, Kai; Ma, Yan-Na; Chen, Xuenian","Synthesis, structures, and optical properties of N-heterocycle and amino acid ester-coordinated B<sub>3</sub>H<sub>7</sub>.","Chemical communications (Cambridge, England)","2025","61","11","2313","2316","10.1039/d4cc05845c","","","1.54184","CuKα","","0.0547","0.0505","","","0.1392","0.1452","","","","","","1.079","","","","has coordinates","298073","2025-03-04","18:49:02",""
"7134120","8.6344","0.0009","18.1239","0.0016","7.5131","0.0007","90","","91.852","0.009","90","","1175.1","0.19","293","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 B3 N O2 -","- C6 H20 B3 N O2 -","- C24 H80 B12 N4 O8 -","4","1","","Chen, Xi-Meng; Chi, Jing-Xian; Li, Yin-Yin; Ge, Yi-Wen; Wang, Peng; Wang, Hongju; Jiang, Kai; Ma, Yan-Na; Chen, Xuenian","Synthesis, structures, and optical properties of N-heterocycle and amino acid ester-coordinated B<sub>3</sub>H<sub>7</sub>.","Chemical communications (Cambridge, England)","2025","61","11","2313","2316","10.1039/d4cc05845c","","","1.54184","CuKα","","0.0998","0.0822","","","0.2398","0.2685","","","","","","1.053","","","","has coordinates","298073","2025-03-04","18:49:03",""
"7134121","8.9433","0.0004","9.1729","0.0003","15.5599","0.0005","100.947","0.003","106.184","0.004","96.479","0.003","1184.83","0.08","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 B3 N -","- C11 H16 B3 N -","- C44 H64 B12 N4 -","4","2","","Chen, Xi-Meng; Chi, Jing-Xian; Li, Yin-Yin; Ge, Yi-Wen; Wang, Peng; Wang, Hongju; Jiang, Kai; Ma, Yan-Na; Chen, Xuenian","Synthesis, structures, and optical properties of N-heterocycle and amino acid ester-coordinated B<sub>3</sub>H<sub>7</sub>.","Chemical communications (Cambridge, England)","2025","61","11","2313","2316","10.1039/d4cc05845c","","","1.54184","CuKα","","0.0504","0.0444","","","0.1148","0.1204","","","","","","1.047","","","","has coordinates","298073","2025-03-04","18:49:03",""
"7134122","7.0276","0.0002","14.8744","0.0004","11.0026","0.0003","90","","92.063","0.002","90","","1149.37","0.05","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 B3 Br N -","- C9 H13 B3 Br N -","- C36 H52 B12 Br4 N4 -","4","1","","Chen, Xi-Meng; Chi, Jing-Xian; Li, Yin-Yin; Ge, Yi-Wen; Wang, Peng; Wang, Hongju; Jiang, Kai; Ma, Yan-Na; Chen, Xuenian","Synthesis, structures, and optical properties of N-heterocycle and amino acid ester-coordinated B<sub>3</sub>H<sub>7</sub>.","Chemical communications (Cambridge, England)","2025","61","11","2313","2316","10.1039/d4cc05845c","","","1.54184","CuKα","","0.0502","0.047","","","0.1245","0.1282","","","","","","1.028","","","","has coordinates","298073","2025-03-04","18:49:03",""
"7134123","24.9479","0.0014","9.1728","0.0005","39.837","0.0017","90","","119.898","0.003","90","","7903.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H0 Eu F4 N O10 -","- C63 H44.511 Eu F4 N3 O12 -","- C252 H178.044 Eu4 F16 N12 O48 -","4","1","","Wu, Qi; Li, Qianxi; Zou, Wenkang; Zhang, Zheyu; Zhou, Yan; Zhao, Qihua","Two novel lanthanide metal-organic frameworks based on tetraphenylethylene for ultra-high proton conduction.","Chemical communications (Cambridge, England)","2025","61","9","1842","1845","10.1039/d4cc06013j","","","1.34139","GaKα","","0.0654","0.0485","","","0.1212","0.1285","","","","","","1.034","","","","has coordinates,has disorder","298052","2025-03-04","18:39:46",""
"7134124","24.9144","0.0015","9.0765","0.0006","39.7778","0.0019","90","","120.096","0.003","90","","7782.5","0.8","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H52 Dy F4 N3 O12 -","- C63 H51 Dy F4 N3 O12 -","- C252 H204 Dy4 F16 N12 O48 -","4","1","","Wu, Qi; Li, Qianxi; Zou, Wenkang; Zhang, Zheyu; Zhou, Yan; Zhao, Qihua","Two novel lanthanide metal-organic frameworks based on tetraphenylethylene for ultra-high proton conduction.","Chemical communications (Cambridge, England)","2025","61","9","1842","1845","10.1039/d4cc06013j","","","0.71073","MoKα","","0.0779","0.0663","","","0.1624","0.1697","","","","","","1.104","","","","has coordinates,has disorder","298052","2025-03-04","18:39:46",""
"7134125","9.4842","0.0006","10.3978","0.0007","11.3997","0.0008","114.68","0.002","111.139","0.002","91.753","0.002","930.73","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H30 N6 O3 -","- C17 H30 N6 O3 -","- C34 H60 N12 O6 -","2","1","","Yoo, Jeong Yeon; Kim, Chanwoo; Kwon, Ji Hoon; Cho, Hana; Jeong, Kiyoung; Park, Wonwoo; Kim, Younghun; Lee, Dongwhan; Park, Seung Bum","Rational design strategies for innovative small-molecule scaffolds inspired by three pivotal protein secondary structures.","Chemical communications (Cambridge, England)","2025","61","11","2285","2288","10.1039/d4cc06630h","","","0.71073","MoKα","","0.1228","0.0722","","","0.1412","0.1668","","","","","","1.068","","","","has coordinates","298071","2025-03-04","18:48:29",""
"7134126","6.2988","0.0006","12.7745","0.0011","18.4302","0.0014","103.81","0.003","97.871","0.003","104.236","0.003","1365.4","0.2","100.1","","100.1","","","","","","","","","4","P 1","P 1","1","","","","- C31 H39 N5 O3 -","- C31 H39 N5 O3 -","- C62 H78 N10 O6 -","2","2","","Yoo, Jeong Yeon; Kim, Chanwoo; Kwon, Ji Hoon; Cho, Hana; Jeong, Kiyoung; Park, Wonwoo; Kim, Younghun; Lee, Dongwhan; Park, Seung Bum","Rational design strategies for innovative small-molecule scaffolds inspired by three pivotal protein secondary structures.","Chemical communications (Cambridge, England)","2025","61","11","2285","2288","10.1039/d4cc06630h","","","0.71073","MoKα","","0.1418","0.09","","","0.1347","0.1548","","","","","","1.092","","","","has coordinates","298071","2025-03-04","18:48:30",""
"7134127","10.1431","0.0001","25.1649","0.0004","28.1114","0.0004","90","","90","","90","","7175.44","0.17","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 N6 O4 -","- C31 H38 N6 O4 -","- C248 H304 N48 O32 -","8","2","","Yoo, Jeong Yeon; Kim, Chanwoo; Kwon, Ji Hoon; Cho, Hana; Jeong, Kiyoung; Park, Wonwoo; Kim, Younghun; Lee, Dongwhan; Park, Seung Bum","Rational design strategies for innovative small-molecule scaffolds inspired by three pivotal protein secondary structures.","Chemical communications (Cambridge, England)","2025","61","11","2285","2288","10.1039/d4cc06630h","","","1.54184","CuKα","","0.1044","0.0958","","","0.2794","0.2911","","","","","","1.113","","","","has coordinates","298071","2025-03-04","18:48:30",""
"7134128","10.133","0.002","12.501","0.003","17.148","0.003","105.694","0.006","97.862","0.005","101.469","0.006","2007.2","0.7","140","","140","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H54 Dy2 F18 N4 O12 -","- C92 H54 Dy2 F18 N4 O12 -","- C92 H54 Dy2 F18 N4 O12 -","1","0.5","","Shome, Shraoshee; Maurya, Naresh Chandra; Mukherjee, Moubani; Adarsh, K. V.; Konar, Sanjit","Leveraging ligand conjugation to improve luminescence thermometry in Dy-single-molecule magnets.","Chemical communications (Cambridge, England)","2025","61","11","2337","2340","10.1039/d4cc05874g","","","0.71073","MoKα","","0.0616","0.0442","","","0.0973","0.106","","","","","","1.024","","","","has coordinates","298075","2025-03-04","18:49:38",""
"7134129","12.5157","0.0001","14.6557","0.0002","15.2251","0.0002","107.403","0.001","110.853","0.001","94.571","0.001","2435.42","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H53 Mn N2 O5 P Rh -","- C54 H53 Mn N2 O5 P Rh -","- C108 H106 Mn2 N4 O10 P2 Rh2 -","2","1","","El Kadiri, Mustapha; Cherradi, Abdelhaq; Filippov, Oleg A.; Duhayon, Carine; César, Vincent; Shubina, Elena S.; Lahcini, Mohammed; Valyaev, Dmitry A.; Canac, Yves","Pushing the limits of electron donation for <i>cis</i>-chelating ligands <i>via</i> an alliance of phosphonium ylide and anionic abnormal NHC.","Chemical communications (Cambridge, England)","2025","61","13","2778","2781","10.1039/d4cc06177b","","","1.54184","CuKα","","0.0329","0.031","","","0.0843","0.0852","","","","","","1.03","","","","has coordinates","298039","2025-03-04","18:34:19",""
"7134130","30.637","0.0002","8.0802","0.0001","35.4557","0.0003","90","","93.047","0.001","90","","8764.76","0.14","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H47 F3 Mn N2 O5 P S -","- C49 H47 F3 Mn N2 O5 P S -","- C392 H376 F24 Mn8 N16 O40 P8 S8 -","8","2","","El Kadiri, Mustapha; Cherradi, Abdelhaq; Filippov, Oleg A.; Duhayon, Carine; César, Vincent; Shubina, Elena S.; Lahcini, Mohammed; Valyaev, Dmitry A.; Canac, Yves","Pushing the limits of electron donation for <i>cis</i>-chelating ligands <i>via</i> an alliance of phosphonium ylide and anionic abnormal NHC.","Chemical communications (Cambridge, England)","2025","61","13","2778","2781","10.1039/d4cc06177b","","","1.54184","CuKα","","0.0684","0.0538","","","0.1431","0.1524","","","","","","1.014","","","","has coordinates","298039","2025-03-04","18:34:22",""
"7134131","10.804","0.005","12.852","0.006","13.813","0.008","64.45","0.02","67.097","0.011","83.367","0.016","1590.8","1.4","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H54 Cl Fe P2 Rh -","- C31 H54 Cl Fe P2 Rh -","- C62 H108 Cl2 Fe2 P4 Rh2 -","2","1","","Durfy, Connor S.; Huang, Michelle; Zurakowski, Joseph A.; Boyle, Paul D.; Drover, Marcus W.","Ring strain governs transmetalation behaviour at a tucked-in iron complex.","Chemical communications (Cambridge, England)","2025","61","16","3323","3326","10.1039/d4cc06176d","","","0.71073","MoKα","","0.0584","0.0389","","","0.0844","0.0911","","","","","","1.064","","","","has coordinates,has disorder","298031","2025-03-04","18:30:19",""
"7134132","12.555","0.004","24.575","0.007","15.94","0.005","90","","101.275","0.009","90","","4823","3","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H70 Cl Fe Ir P4 -","- C50 H70 Cl Fe Ir P4 -","- C200 H280 Cl4 Fe4 Ir4 P16 -","4","1","","Durfy, Connor S.; Huang, Michelle; Zurakowski, Joseph A.; Boyle, Paul D.; Drover, Marcus W.","Ring strain governs transmetalation behaviour at a tucked-in iron complex.","Chemical communications (Cambridge, England)","2025","61","16","3323","3326","10.1039/d4cc06176d","","","0.71073","MoKα","","0.0545","0.033","","","0.0644","0.0707","","","","","","1.012","","","","has coordinates,has disorder","298031","2025-03-04","18:30:20",""
"7134133","31.649","0.016","11.405","0.004","18.757","0.009","90","","105.453","0.008","90","","6526","5","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H58 Cl Fe P2 Rh -","- C32 H58 Cl Fe P2 Rh -","- C256 H464 Cl8 Fe8 P16 Rh8 -","8","1","","Durfy, Connor S.; Huang, Michelle; Zurakowski, Joseph A.; Boyle, Paul D.; Drover, Marcus W.","Ring strain governs transmetalation behaviour at a tucked-in iron complex.","Chemical communications (Cambridge, England)","2025","61","16","3323","3326","10.1039/d4cc06176d","","","0.71073","MoKα","","0.0988","0.0557","","","0.1107","0.1268","","","","","","1.022","","","","has coordinates","298031","2025-03-04","18:30:20",""
"7134134","31.472","0.013","11.404","0.004","18.851","0.006","90","","105.854","0.01","90","","6508","4","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H58 Cl Fe Ir P2 -","- C32 H58 Cl Fe Ir P2 -","- C256 H464 Cl8 Fe8 Ir8 P16 -","8","1","","Durfy, Connor S.; Huang, Michelle; Zurakowski, Joseph A.; Boyle, Paul D.; Drover, Marcus W.","Ring strain governs transmetalation behaviour at a tucked-in iron complex.","Chemical communications (Cambridge, England)","2025","61","16","3323","3326","10.1039/d4cc06176d","","","0.71073","MoKα","","0.0522","0.0317","","","0.0602","0.0656","","","","","","1.027","","","","has coordinates","298031","2025-03-04","18:30:20",""
"7134135","12.544","0.005","24.608","0.008","15.96","0.005","90","","101.5","0.017","90","","4828","3","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H70 Cl Fe P4 Rh -","- C50 H70 Cl Fe P4 Rh -","- C200 H280 Cl4 Fe4 P16 Rh4 -","4","1","","Durfy, Connor S.; Huang, Michelle; Zurakowski, Joseph A.; Boyle, Paul D.; Drover, Marcus W.","Ring strain governs transmetalation behaviour at a tucked-in iron complex.","Chemical communications (Cambridge, England)","2025","61","16","3323","3326","10.1039/d4cc06176d","","","0.71073","MoKα","","0.0522","0.0348","","","0.0754","0.0836","","","","","","1.021","","","","has coordinates,has disorder","298031","2025-03-04","18:30:20",""
"7134136","3.7658","0.0004","29.691","0.003","30.402","0.003","61.631","0.009","86.803","0.01","89.946","0.01","2985.1","0.6","200","","200","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 O6 -","- C27 H18 O6 -","- C54 H36 O12 -","2","1","","Cui, Peng; Zhang, Hanyu","A non-interpenetrated mesoporous hydrogen-bonded organic framework constructed with 1,3,5-tri(4-carboxyphenyl)benzene.","Chemical communications (Cambridge, England)","2025","61","13","2742","2745","10.1039/d4cc06324d","","x-ray","0.6889","synchrotron","","0.1824","0.1051","","","0.2683","0.3007","","","","","","0.81","","","","has coordinates,has disorder","298035","2025-03-04","18:32:27",""
"7134137","28.129","0.003","7.0621","0.0006","28.162","0.003","90","","100.63","0.007","90","","5498.4","1","223","","223","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C45 H29 O6 -","- C45 H29.0001 O6 -","- C180 H116 O24 -","4","2","","Cui, Peng; Zhang, Hanyu","A non-interpenetrated mesoporous hydrogen-bonded organic framework constructed with 1,3,5-tri(4-carboxyphenyl)benzene.","Chemical communications (Cambridge, England)","2025","61","13","2742","2745","10.1039/d4cc06324d","","","1.54178","CuKα","","0.1601","0.0901","","","0.2293","0.2819","","","","","","0.777","","","","has coordinates,has disorder","298035","2025-03-04","18:32:27",""
"7134138","11.1322","0.0012","12.2852","0.0013","18.985","0.002","94.316","0.004","103.713","0.004","110.258","0.004","2330.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54.5 H59 Ce P2 S -","- C54.5 H55 Ce P2 S -","- C109 H110 Ce2 P4 S2 -","2","1","","Gremillion, Alexander J.; Kumar, Hemant; Del Rosal, Iker; Kelley, Steven P.; Maron, Laurent; Gessner, Viktoria H.; Walensky, Justin R.","Cerium(III) yldiide complexes with divergent CO reactivity.","Chemical communications (Cambridge, England)","2025","61","4","752","755","10.1039/d4cc04562a","","","0.71073","MoKα","","0.1594","0.1159","","","0.256","0.2835","","","","","","1.188","","","","has coordinates,has disorder","298009","2025-03-04","18:18:43",""
"7134139","18.6645","0.0005","13.3611","0.0004","19.5603","0.0006","90","","97.2684","0.001","90","","4838.7","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H65 Ce O P2 S -","- C55 H65 Ce O P2 S -","- C220 H260 Ce4 O4 P8 S4 -","4","1","","Gremillion, Alexander J.; Kumar, Hemant; Del Rosal, Iker; Kelley, Steven P.; Maron, Laurent; Gessner, Viktoria H.; Walensky, Justin R.","Cerium(III) yldiide complexes with divergent CO reactivity.","Chemical communications (Cambridge, England)","2025","61","4","752","755","10.1039/d4cc04562a","","","0.71073","MoKα","","0.051","0.0339","","","0.0617","0.0724","","","","","","1.145","","","","has coordinates","298009","2025-03-04","18:18:45",""
"7134140","10.2451","0.0004","12.2641","0.0005","18.6768","0.0007","98.61","0.001","92.849","0.001","113.237","0.001","2116.69","0.14","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H56 Ce O2 P S -","- C49.5 H56 Ce O2 P S -","- C99 H112 Ce2 O4 P2 S2 -","2","1","","Gremillion, Alexander J.; Kumar, Hemant; Del Rosal, Iker; Kelley, Steven P.; Maron, Laurent; Gessner, Viktoria H.; Walensky, Justin R.","Cerium(III) yldiide complexes with divergent CO reactivity.","Chemical communications (Cambridge, England)","2025","61","4","752","755","10.1039/d4cc04562a","","","0.71073","MoKα","","0.0565","0.0373","","","0.0603","0.0687","","","","","","1.08","","","","has coordinates,has disorder","298009","2025-03-04","18:18:45",""
"7134141","12.0893","0.0006","12.174","0.0006","12.3858","0.0006","115.189","0.0016","99.9137","0.0017","101.752","0.0017","1544.5","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H80 Ce2 O2 P2 S2 -","- C68 H80 Ce2 O2 P2 S2 -","- C68 H80 Ce2 O2 P2 S2 -","1","0.5","","Gremillion, Alexander J.; Kumar, Hemant; Del Rosal, Iker; Kelley, Steven P.; Maron, Laurent; Gessner, Viktoria H.; Walensky, Justin R.","Cerium(III) yldiide complexes with divergent CO reactivity.","Chemical communications (Cambridge, England)","2025","61","4","752","755","10.1039/d4cc04562a","","","0.71073","MoKα","","0.0834","0.0611","","","0.121","0.133","","","","","","1.098","","","","has coordinates","298009","2025-03-04","18:18:45",""
"7134142","10.4042","0.0005","10.5714","0.0005","23.8222","0.0011","90","","98.2743","0.0016","90","","2592.9","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 Ce2 O4 S2 -","- C54 H74 Ce2 O4 S2 -","- C108 H148 Ce4 O8 S4 -","2","0.5","","Gremillion, Alexander J.; Kumar, Hemant; Del Rosal, Iker; Kelley, Steven P.; Maron, Laurent; Gessner, Viktoria H.; Walensky, Justin R.","Cerium(III) yldiide complexes with divergent CO reactivity.","Chemical communications (Cambridge, England)","2025","61","4","752","755","10.1039/d4cc04562a","","","0.71073","MoKα","","0.0497","0.0356","","","0.0743","0.081","","","","","","1.048","","","","has coordinates,has disorder","298009","2025-03-04","18:18:45",""
"7134143","10.2511","0.0003","10.3159","0.0003","12.0215","0.0003","106.412","0.001","105.636","0.001","103.988","0.001","1102.62","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H25 N O3 -","- C29 H25 N O3 -","- C58 H50 N2 O6 -","2","1","","Liang, Yujie; Nematswerani, Ronewa; Daniliuc, Constantin G.; Glorius, Frank","Lewis acid-catalyzed [2π+2σ] cycloaddition of dihydropyridines with bicyclobutanes.","Chemical communications (Cambridge, England)","2025","61","10","2091","2094","10.1039/d4cc06133k","","x-ray","1.54178","CuKα","","0.0501","0.0422","","","0.1108","0.1179","","","","","","1.061","","","","has coordinates","297989","2025-03-04","18:08:41",""
"7134144","13.907","0.003","23.347","0.004","25.011","0.004","90","","90","","90","","8121","3","153","0.1","153","0.1","","","","","","","","5","C m c m","-C 2c 2","63","","5,10,15,20-tetrakis(2',6'-dipivaloyloxyphenyl)Cobalt porphyrin","","- C84 H94 Co N4 O17 -","- C84 H94 Co N4 O17 -","- C336 H376 Co4 N16 O68 -","4","0.25","","Mou, Yonghong; Zhang, Jieling; Qin, Haonan; Li, Xinyue; Zeng, Zequan; Zhang, Rong; Liang, Zuozhong; Cao, Rui","The steric hindrance effect of Co porphyrins promoting two-electron oxygen reduction reaction selectivity.","Chemical communications (Cambridge, England)","2025","61","9","1878","1881","10.1039/d4cc06012a","","x-ray","0.71073","MoKα","","0.1542","0.1167","","","0.2773","0.3106","","","","","","1.081","","","","has coordinates,has disorder","298057","2025-03-04","18:41:44",""
"7134145","9.8827","0.0018","16.038","0.003","19.204","0.003","77.886","0.007","86.561","0.007","82.747","0.007","2950.5","0.9","190","0.1","190","0.1","","","","","","","","5","P -1","-P 1","2","","5,10,15,20-tetrakis(para-dipivaloyloxyphenyl)Cobalt Porphyrin","","- C64 H60 Co N4 O8 -","- C64 H60 Co N4 O8 -","- C128 H120 Co2 N8 O16 -","2","1","","Mou, Yonghong; Zhang, Jieling; Qin, Haonan; Li, Xinyue; Zeng, Zequan; Zhang, Rong; Liang, Zuozhong; Cao, Rui","The steric hindrance effect of Co porphyrins promoting two-electron oxygen reduction reaction selectivity.","Chemical communications (Cambridge, England)","2025","61","9","1878","1881","10.1039/d4cc06012a","","x-ray","1.34139","GaKα","","0.1841","0.1003","","","0.2677","0.3331","","","","","","1.04","","","","has coordinates,has disorder","298057","2025-03-04","18:41:45",""
"7134146","12.8662","0.0001","15.8429","0.0002","20.5929","0.0002","70.328","0.001","85.434","0.001","76.254","0.001","3839.41","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H75 F18 Fe N11 P2 -","- C72 H75 F18 Fe N11 P2 -","- C144 H150 F36 Fe2 N22 P4 -","2","1","","Buchberger, Benedikt; Demirel, Nemrud; Xie, Xiulan; Ivlev, Sergei I.; Meggers, Eric","Coordination-induced axial chirality controls the metal-centred configuration in a stereogenic-at-iron catalyst.","Chemical communications (Cambridge, England)","2025","61","9","1894","1897","10.1039/d4cc06227b","","x-ray","1.54186","CuKα","","0.0419","0.0345","","","0.0887","0.0906","","","","","","0.923","","","","has coordinates,has disorder","298056","2025-03-04","18:41:14",""
"7134147","19.8794","0.0004","13.1256","0.0002","24.0253","0.0005","90","","98.267","0.002","90","","6203.8","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H40 F18 Fe N10 P2 -","- C54 H40 F18 Fe N10 P2 -","- C216 H160 F72 Fe4 N40 P8 -","4","1","","Buchberger, Benedikt; Demirel, Nemrud; Xie, Xiulan; Ivlev, Sergei I.; Meggers, Eric","Coordination-induced axial chirality controls the metal-centred configuration in a stereogenic-at-iron catalyst.","Chemical communications (Cambridge, England)","2025","61","9","1894","1897","10.1039/d4cc06227b","","x-ray","0.71073","MoKα","","0.0693","0.0416","","","0.1001","0.1088","","","","","","1.059","","","","has coordinates,has disorder","298056","2025-03-04","18:41:14",""
"7134148","11.57903","0.00012","11.85721","0.00014","13.18425","0.00017","101.96","0.001","103.36","0.001","103.101","0.001","1649.68","0.04","100","0.2","100","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H32 B2 F8 N5 P Pt S -","- C30 H32 B2 F8 N5 P Pt S -","- C60 H64 B4 F16 N10 P2 Pt2 S2 -","2","1","","Hu, Yiming; Wang, Fiona Yihan; Xie, Yi; Coleman, Benjamin D.; Stern, Charlotte L.; Mirkin, Chad A.","Manipulating metal-ligand binding in allosteric coordination complexes through ring strain.","Chemical communications (Cambridge, England)","2025","61","9","1906","1909","10.1039/d4cc06135g","","x-ray","0.71073","MoKα","","0.0513","0.0409","","","0.1029","0.1069","","","","","","1.042","","","","has coordinates,has disorder","298059","2025-03-04","18:43:00",""
"7134149","10.1155","0.0002","20.5747","0.0004","15.5888","0.0003","90","","94.137","0.002","90","","3235.94","0.11","99.98","0.1","99.98","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 B2 F8 N4 P Pt S -","- C29 H31 B2 F8 N4 P Pt S -","- C116 H124 B8 F32 N16 P4 Pt4 S4 -","4","1","","Hu, Yiming; Wang, Fiona Yihan; Xie, Yi; Coleman, Benjamin D.; Stern, Charlotte L.; Mirkin, Chad A.","Manipulating metal-ligand binding in allosteric coordination complexes through ring strain.","Chemical communications (Cambridge, England)","2025","61","9","1906","1909","10.1039/d4cc06135g","","x-ray","0.71073","MoKα","","0.0407","0.0299","","","0.0723","0.0766","","","","","","1.06","","","","has coordinates","298059","2025-03-04","18:43:02",""
"7134150","20.6049","0.0006","19.1262","0.0006","8.869","0.0003","90","","90","","90","","3495.21","0.19","100","0.1","100","0.1","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C32 H36 B2 F8 N5 P Pt S -","- C32 H36 B2 F8 N5 P Pt S -","- C128 H144 B8 F32 N20 P4 Pt4 S4 -","4","1","","Hu, Yiming; Wang, Fiona Yihan; Xie, Yi; Coleman, Benjamin D.; Stern, Charlotte L.; Mirkin, Chad A.","Manipulating metal-ligand binding in allosteric coordination complexes through ring strain.","Chemical communications (Cambridge, England)","2025","61","9","1906","1909","10.1039/d4cc06135g","","x-ray","0.71073","MoKα","","0.0543","0.0346","","","0.0779","0.0909","","","","","","1.083","","","","has coordinates","298059","2025-03-04","18:43:02",""
"7134151","10.6014","0.0002","12.7257","0.0003","16.4959","0.0003","70.981","0.002","72.466","0.002","67.598","0.002","1904.86","0.08","125","30","125","30","","","","","","","","8","P -1","-P 1","2","","","","- C34 H40 B2 F8 N5 P Pt S -","- C34 H40 B2 F8 N5 P Pt S -","- C68 H80 B4 F16 N10 P2 Pt2 S2 -","2","1","","Hu, Yiming; Wang, Fiona Yihan; Xie, Yi; Coleman, Benjamin D.; Stern, Charlotte L.; Mirkin, Chad A.","Manipulating metal-ligand binding in allosteric coordination complexes through ring strain.","Chemical communications (Cambridge, England)","2025","61","9","1906","1909","10.1039/d4cc06135g","","x-ray","0.71073","MoKα","","0.0855","0.0767","","","0.1984","0.2087","","","","","","1.047","","","","has coordinates","298059","2025-03-04","18:43:02",""
"7134152","10.3866","0.0002","12.6158","0.0002","15.7425","0.0003","68.424","0.002","79.21","0.002","73.111","0.002","1828.04","0.06","113","19","113","19","","","","","","","","8","P -1","-P 1","2","","","","- C33 H38 B2 F8 N5 P Pt S -","- C33 H38 B2 F8 N5 P Pt S -","- C66 H76 B4 F16 N10 P2 Pt2 S2 -","2","1","","Hu, Yiming; Wang, Fiona Yihan; Xie, Yi; Coleman, Benjamin D.; Stern, Charlotte L.; Mirkin, Chad A.","Manipulating metal-ligand binding in allosteric coordination complexes through ring strain.","Chemical communications (Cambridge, England)","2025","61","9","1906","1909","10.1039/d4cc06135g","","x-ray","0.71073","MoKα","","0.045","0.0415","","","0.1108","0.1122","","","","","","1.172","","","","has coordinates","298059","2025-03-04","18:43:02",""
"7134153","12.1158","0.0006","16.281","0.0006","18.5842","0.0008","90","","96.055","0.004","90","","3645.4","0.3","100","2","100.1","0.3","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 B2 Cl2 F8 N4 P Pt S -","- C32 H37 B2 Cl2 F8 N4 P Pt S -","- C128 H148 B8 Cl8 F32 N16 P4 Pt4 S4 -","4","1","","Hu, Yiming; Wang, Fiona Yihan; Xie, Yi; Coleman, Benjamin D.; Stern, Charlotte L.; Mirkin, Chad A.","Manipulating metal-ligand binding in allosteric coordination complexes through ring strain.","Chemical communications (Cambridge, England)","2025","61","9","1906","1909","10.1039/d4cc06135g","","x-ray","0.71073","MoKα","","0.1703","0.0817","","","0.1839","0.2236","","","","","","1.021","","","","has coordinates","298059","2025-03-04","18:43:02",""
"7134154","9.1999","0.0001","10.8797","0.0002","20.6779","0.0003","95.509","0.001","100.603","0.001","112.448","0.001","1848.45","0.05","100","0.2","100","0.2","","","","","","","","9","P -1","-P 1","2","","","","- C29 H31 B Cl F4 N4 P Pt S -","- C29 H31 B Cl F4 N4 P Pt S -","- C58 H62 B2 Cl2 F8 N8 P2 Pt2 S2 -","2","1","","Hu, Yiming; Wang, Fiona Yihan; Xie, Yi; Coleman, Benjamin D.; Stern, Charlotte L.; Mirkin, Chad A.","Manipulating metal-ligand binding in allosteric coordination complexes through ring strain.","Chemical communications (Cambridge, England)","2025","61","9","1906","1909","10.1039/d4cc06135g","","x-ray","0.71073","MoKα","","0.0775","0.0568","","","0.1092","0.115","","","","","","1.071","","","","has coordinates,has disorder","298059","2025-03-04","18:43:02",""
"7134156","3.8527","0.0001","15.8701","0.0005","15.9967","0.0006","90","","94.588","0.003","90","","974.95","0.05","93.9","0.7","93.9","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","","Sasaki, Ikuto; Takahashi, Kiyonori; Taemaitree, Farsai; Nakamura, Takayoshi; Hutchison, James A.; Uji-I, Hiroshi; Hirai, Kenji","Optical cavity enhancement of visible light-driven photochemical reaction in the crystalline state.","Chemical communications (Cambridge, England)","2025","61","13","2766","2769","10.1039/d4cc05598e","","x-ray","0.71073","MoKα","","0.0554","0.0425","","","0.1025","0.1076","","","","","","1.036","","","","has coordinates","298041","2025-03-04","18:35:51",""
"7134157","13.826","0.003","13.826","0.003","37.353","0.012","90","","90","","90","","7140","3","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C29 H31 Cd I2 N6 O4 -","- C29 H31 Cd I2 N6 O4 -","- C232 H248 Cd8 I16 N48 O32 -","8","1","","Dey, Sanjit; Roy, Souvik; Puneeth Kumar, DRGKoppalu R; Nalawade, Sachin A.; Singh, Manjeet; Toraskar, Sandip U.; Mahapatra, Souvik Panda; Gopi, Hosahudya N.","Metal-directed hierarchical superhelices from hybrid peptide foldamers.","Chemical communications (Cambridge, England)","2025","61","13","2770","2773","10.1039/d4cc05770h","","","0.71073","MoKα","","0.1385","0.0587","","","0.117","0.1422","","","","","","0.907","","","","has coordinates","298040","2025-03-04","18:35:15",""
"7134158","17.103","0.002","8.573","0.001","24.367","0.003","90","","90","","90","","3572.8","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C29 H42 Cd I2 N6 O4 -","- C29 H42 Cd I2 N6 O4 -","- C116 H168 Cd4 I8 N24 O16 -","4","1","","Dey, Sanjit; Roy, Souvik; Puneeth Kumar, DRGKoppalu R; Nalawade, Sachin A.; Singh, Manjeet; Toraskar, Sandip U.; Mahapatra, Souvik Panda; Gopi, Hosahudya N.","Metal-directed hierarchical superhelices from hybrid peptide foldamers.","Chemical communications (Cambridge, England)","2025","61","13","2770","2773","10.1039/d4cc05770h","","","0.71073","MoKα","","0.0444","0.0357","","","0.0723","0.0753","","","","","","1.0405","","","","has coordinates,has disorder","298040","2025-03-04","18:35:15",""
"7134159","6.3573","0.0003","7.0201","0.0004","7.0339","0.0004","119.81","0.005","92.53","0.004","101.447","0.004","263.17","0.03","167","90","167","90","","","","","","","","3","P -1","-P 1","2","Boric","Orthoboric","","- B H3 O3 -","- B H3 O3 -","- B4 H12 O12 -","4","2","","Das, Susobhan; Yadava, Khushboo; Reddy, C. Malla; Saha, Subhankar","Boric acid as supramolecular graphite.","Chemical communications (Cambridge, England)","2025","61","90","17649","17652","10.1039/d4cc05586a","","","0.71073","MoKα","","0.061","0.0578","","","0.168","0.1768","","","","","","1.082","","","","has coordinates","303550","2025-11-29","17:47:35",""
"7134160","9.724","0.0014","9.724","0.0014","9.432","0.0019","90","","90","","90","","891.9","0.3","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","DH-K-GIS","","- Al5.8 K5.74 O32 Si10.2 -","- Al5.8 K5.744 O32 Si10.2 -","- Al5.8 K5.744 O32 Si10.2 -","1","0.0625","","Guo, Jian; Nie, Chenyang; Li, Shitai; Yan, Nana; Guo, Peng; Liu, Zhongmin","Revealing the CO<sub>2</sub> adsorption blocking mechanism in flexible low-silica small-pore zeolites <i>via</i> three-dimensional electron diffraction.","Chemical communications (Cambridge, England)","2025","61","12","2568","2571","10.1039/d4cc06791f","","","0.0251","electron","","0.1745","0.1222","","","0.3285","0.3714","","","","","","1.183","","","","has coordinates","298080","2025-03-04","18:50:44",""
"7134161","9.612","0.0014","9.612","0.0014","8.915","0.0018","90","","90","","90","","823.7","0.2","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","DH-Na-GIS","","- Al5.8 Na5.73 O32 Si10.2 -","- Al5.8 Na5.728 O32 Si10.2 -","- Al5.8 Na5.728 O32 Si10.2 -","1","0.125","","Guo, Jian; Nie, Chenyang; Li, Shitai; Yan, Nana; Guo, Peng; Liu, Zhongmin","Revealing the CO<sub>2</sub> adsorption blocking mechanism in flexible low-silica small-pore zeolites <i>via</i> three-dimensional electron diffraction.","Chemical communications (Cambridge, England)","2025","61","12","2568","2571","10.1039/d4cc06791f","","","0.0251","electronc","","0.1713","0.1292","","","0.3246","0.3554","","","","","","1.147","","","","has coordinates","298080","2025-03-04","18:50:45",""
"7134162","8.25","0.0016","13.453","0.003","8.305","0.0017","90","","108.2","0.03","90","","875.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","DH-K-PHI","","- Al5.8 K5.72 O32 Si10.2 -","- Al5.8 K5.72 O32 Si10.2 -","- Al5.8 K5.72 O32 Si10.2 -","1","0.25","","Guo, Jian; Nie, Chenyang; Li, Shitai; Yan, Nana; Guo, Peng; Liu, Zhongmin","Revealing the CO<sub>2</sub> adsorption blocking mechanism in flexible low-silica small-pore zeolites <i>via</i> three-dimensional electron diffraction.","Chemical communications (Cambridge, England)","2025","61","12","2568","2571","10.1039/d4cc06791f","","","0.0251","electron","","0.1898","0.1655","","","0.449","","","","","","","1.687","","","","has coordinates","298080","2025-03-04","18:50:45",""
"7134163","8.062","0.0016","13.126","0.003","8.117","0.0016","90","","106.69","0.03","90","","822.8","0.3","293","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","DH-Na-PHI","","- Al5.8 Na5.873 O32 Si10.2 -","- Al5.8 Na5.8732 O32 Si10.2 -","- Al5.8 Na5.8732 O32 Si10.2 -","1","0.25","","Guo, Jian; Nie, Chenyang; Li, Shitai; Yan, Nana; Guo, Peng; Liu, Zhongmin","Revealing the CO<sub>2</sub> adsorption blocking mechanism in flexible low-silica small-pore zeolites <i>via</i> three-dimensional electron diffraction.","Chemical communications (Cambridge, England)","2025","61","12","2568","2571","10.1039/d4cc06791f","","electron","0.0251","electron","","","","","","","","","","","","","","","","","has coordinates","298080","2025-03-04","18:50:45",""
"7134164","12.279","0.0007","10.1279","0.0005","16.5415","0.0009","90","","103.941","0.003","90","","1996.52","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N2 O -","- C25 H24 N2 O -","- C100 H96 N8 O4 -","4","1","","Mondal, Karunamayee; Pilania, Mahima; Jayabalan, Karthikeyan; Baidya, Mahiuddin","Photoredox cobalt dual catalysis toward C3-functionalization of quinoxalinones with alkenes and alkynes.","Chemical communications (Cambridge, England)","2025","61","12","2556","2559","10.1039/d4cc05374e","","","0.71073","MoKα","","0.0688","0.045","","","0.1087","0.1266","","","","","","1.014","","","","has coordinates","298081","2025-03-04","18:50:58",""
"7134165","32.9631","0.0015","13.3189","0.0006","15.4095","0.0007","90","","90","","90","","6765.3","0.5","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C29 H26 N4 O8 S2 Zn -","- C29 H24 N4 O9 S2 Zn -","- C232 H192 N32 O72 S16 Zn8 -","8","1","","Wang, Ruo-Nan; Tan, Yu-Chuan; Liu, Wei; Wang, Zi-Yi; Zhang, Jun-Die; Zhu, Qin-Yu","A metal-organic framework with mixed electron donor and electron acceptor ligands for efficient lithium-ion storage.","Chemical communications (Cambridge, England)","2025","61","11","2289","2292","10.1039/d4cc05567e","","","0.71073","MoKα","","0.1358","0.1277","","","0.2662","0.2704","","","","","","1.176","","","","has coordinates","298072","2025-03-04","18:48:49",""
"7134166","9.751","0.0016","19.705","0.003","9.8592","0.0016","90","","90","","90","","1894.4","0.5","278","","278","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H20 N2 O -","- C24 H20 N2 O -","- C96 H80 N8 O4 -","4","1","","Singh, Anupam Kumar; Rahaman, Ajijur; Patel, Upendra Kumar Brijmohan; Patel, Tulsi R.; Bhai, Surjit; Ganguly, Bishwajit; Bhadra, Sukalyan","Copper catalyzed C(sp<sup>3</sup>)-H/C(sp<sup>3</sup>)-H cross-coupling of arylacetic acid equivalents with methylarenes <i>via</i> α-carbonyl radicals.","Chemical communications (Cambridge, England)","2025","61","14","2941","2944","10.1039/d4cc06801g","","","0.71073","MoKα","","0.1637","0.0539","","","0.1305","0.2066","","","","","","1.111","","","","has coordinates","298042","2025-03-04","18:36:15",""
"7134167","11.0423","0.0008","15.3916","0.001","11.2723","0.0008","90","","117.011","0.009","90","","1706.8","0.2","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","reducted profuct","","- C23 H20 N2 -","- C23 H20 N2 -","- C92 H80 N8 -","4","1","","Oishi, Tatsushi; Uchikura, Tatsuhiro; Akiyama, Takahiko","Synthesis of indole-fused benzodiazepine derivatives by photocatalyzed cascade reaction.","Chemical communications (Cambridge, England)","2025","61","12","2576","2579","10.1039/d4cc05755d","","x-ray","0.71073","MoKα","","0.0777","0.0527","","","0.1359","0.1479","","","","","","1.035","","","","has coordinates","298079","2025-03-04","18:50:32",""
"7134168","12.5333","0.0005","9.4181","0.0004","17.7393","0.0007","90","","100.834","0.001","90","","2056.62","0.14","304","2","304","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ORGANIC","","","- C23 H28 O4 -","- C23 H28 O4 -","- C92 H112 O16 -","4","1","","Dabas, Shilpa; Barik, Manas; Rathour, Parul; Biradar, Ankush V.; Subramanian, Saravanan","Hydrogenation of CO<sub>2</sub> to formic acid over a non-precious metal-based polymeric catalyst.","Chemical communications (Cambridge, England)","2025","61","20","4022","4025","10.1039/d4cc05888g","","","0.71073","MoKα","","0.0869","0.0542","","","0.1469","0.1719","","","","","","1.058","","","","has coordinates","298771","2025-04-05","02:09:58",""
"7134169","14.9514","0.0004","16.3606","0.0007","17.5556","0.0007","80.287","0.003","65.353","0.003","69.019","0.003","3643.4","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C76.79 H81.59 Cl2.59 N5 O16 -","- C76.794 H81.588 Cl2.588 N5 O16 -","- C153.588 H163.176 Cl5.176 N10 O32 -","2","1","","de Jong, Jorn; Siegler, Maxime A.; Wezenberg, Sander J.","A photoswitchable [2]catenane receptor.","Chemical communications (Cambridge, England)","2025","61","12","2548","2551","10.1039/d4cc05934d","","","1.54178","CuKα","","0.0757","0.05","","","0.1302","0.1465","","","","","","1.029","","","","has coordinates,has disorder","298078","2025-03-04","18:50:22",""
"7134170","4.9512","0.0006","6.4395","0.0008","24.625","0.003","90","","90","","90","","785.13","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 N O S -","- C7 H9 N O S -","- C28 H36 N4 O4 S4 -","4","1","","Xiong, Qin; Liao, Minghong; Wang, Gangyu; Shi, Hai; Wu, Xingxing","Synthesis of chiral <i>N</i>-free sulfinamides by asymmetric condensation of stable sulfinates and ammonium salts.","Chemical communications (Cambridge, England)","2025","61","14","3017","3020","10.1039/d4cc06395c","","","0.71073","MoKα","","0.0729","0.0676","","","0.1703","0.1735","","","","","","1.143","","","","has coordinates","298043","2025-03-04","18:36:29",""
"7134171","8.4277","0.0001","11.4571","0.0002","31.6448","0.0006","90","","90","","90","","3055.53","0.09","304.62","0.1","304.62","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 2-(1,2-diphenylhydrazineyl)-2-oxoacetate","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C128 H128 N16 O24 -","8","1","","Yang, Jingya; Wang, Shengyu; Han, Yating; Dong, Qi; Ma, Wantong; Zhou, Hongyan","Synergistic photocatalysis enables aerobic oxo-hydrazination of α-diazoacetates with azobenzenes.","Chemical communications (Cambridge, England)","2025","61","6","1188","1191","10.1039/d4cc05668j","","x-ray","1.54184","CuKα","","0.0479","0.0403","","","0.11","0.1164","","","","","","1.04","","","","has coordinates","297330","2025-01-15","22:56:38",""
"7134172","12.1282","0.0011","20.2533","0.0017","7.5226","0.0006","90","","91.106","0.004","90","","1847.5","0.3","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","","Nallamilli, Tarun; Munakala, Anandarao; Dhanavath, Ramulu; Mahendran, Hariharan; Chegondi, Rambabu","Pd(II)-catalyzed cyclization of alkyne-tethered malononitriles <i>via</i> nitrile insertion.","Chemical communications (Cambridge, England)","2025","61","14","2957","2960","10.1039/d4cc05973e","","","0.71073","MoKα","","0.0733","0.0392","","","0.0903","0.1069","","","","","","0.998","","","","has coordinates","298046","2025-03-04","18:37:12",""
"7134173","12.612","0.0014","5.691","0.0006","22.766","0.003","90","","103.59","0.005","90","","1588.3","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Nallamilli, Tarun; Munakala, Anandarao; Dhanavath, Ramulu; Mahendran, Hariharan; Chegondi, Rambabu","Pd(II)-catalyzed cyclization of alkyne-tethered malononitriles <i>via</i> nitrile insertion.","Chemical communications (Cambridge, England)","2025","61","14","2957","2960","10.1039/d4cc05973e","","","0.71073","MoKα","","0.0853","0.0517","","","0.1369","0.163","","","","","","1.036","","","","has coordinates,has disorder","298046","2025-03-04","18:37:14",""
"7134174","10.1376","0.0002","15.2198","0.0002","13.6429","0.0002","90","","93.669","0.002","90","","2100.68","0.06","119.99","0.18","119.99","0.18","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 Cl2 N5 O Ru -","- C17 H27 Cl2 N5 O Ru -","- C68 H108 Cl8 N20 O4 Ru4 -","4","1","","Aufricht, Patricia; Nori, Valeria; Rabell, Brenda; Piccirilli, Luca; Koranchalil, Sakhitha; W Larsen, René; Nielsen, Mathias T.; Nielsen, Martin","Formic acid dehydrogenation catalysed by a novel amino-di(N-heterocyclic carbene) based Ru-CNC pincer complex.","Chemical communications (Cambridge, England)","2025","61","20","3986","3989","10.1039/d4cc05164e","","x-ray","1.54184","CuKα","","0.0379","0.034","","","0.0861","0.0882","","","","","","1.041","","","","has coordinates","298776","2025-04-05","02:11:37",""
"7134175","7.999","0.002","14.802","0.005","12.675","0.004","90","","91.389","0.011","90","","1500.3","0.8","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H32 Br Mn N2 O3 S -","- C31 H32 Br Mn N2 O3 S -","- C62 H64 Br2 Mn2 N4 O6 S2 -","2","1","","Hruzd, Mariia; Kleynemeyer, Sabrina L.; Michon, Christophe; Bastin, Stéphanie; Pollet, Eric; Ritleng, Vincent; Sortais, Jean-Baptiste","Thioether-NHC bidentate manganese complexes as efficient phosphine-free catalysts for hydrogenation at room temperature.","Chemical communications (Cambridge, England)","2025","61","14","2969","2972","10.1039/d4cc06627h","","","0.71073","MoKα","","0.1687","0.0794","","","0.1682","0.2173","","","","","","0.956","","","","has coordinates","298044","2025-03-04","18:36:48",""
"7134176","15.7798","0.0007","8.0924","0.0003","18.2707","0.0008","90","","101.904","0.002","90","","2282.93","0.17","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Br Mn N2 O3 S -","- C21 H26 Br Mn N2 O3 S -","- C84 H104 Br4 Mn4 N8 O12 S4 -","4","1","","Hruzd, Mariia; Kleynemeyer, Sabrina L.; Michon, Christophe; Bastin, Stéphanie; Pollet, Eric; Ritleng, Vincent; Sortais, Jean-Baptiste","Thioether-NHC bidentate manganese complexes as efficient phosphine-free catalysts for hydrogenation at room temperature.","Chemical communications (Cambridge, England)","2025","61","14","2969","2972","10.1039/d4cc06627h","","","1.54178","CuKα","","0.0712","0.0657","","","0.1925","0.201","","","","","","1.07","","","","has coordinates","298044","2025-03-04","18:36:49",""
"7134177","8.1743","0.0009","10.9691","0.0011","12.8226","0.0014","91.696","0.003","100.136","0.003","91.504","0.003","1130.7","0.2","173","2","173","2","","","","","","","","11","P -1","-P 1","2","","","","- C21 H18 Br Mn N2 O3 S en lv so t -","- C21 H18 Br Mn N2 O3 S -","- C42 H36 Br2 Mn2 N4 O6 S2 -","2","1","","Hruzd, Mariia; Kleynemeyer, Sabrina L.; Michon, Christophe; Bastin, Stéphanie; Pollet, Eric; Ritleng, Vincent; Sortais, Jean-Baptiste","Thioether-NHC bidentate manganese complexes as efficient phosphine-free catalysts for hydrogenation at room temperature.","Chemical communications (Cambridge, England)","2025","61","14","2969","2972","10.1039/d4cc06627h","","","0.71073","MoKα","","0.1023","0.0654","","","0.1816","0.2108","","","","","","1.016","","","","has coordinates","298044","2025-03-04","18:36:49",""
"7134178","8.401","0.0003","15.8222","0.0007","16.6388","0.0007","90","","90","","90","","2211.67","0.16","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br Mn N2 O3 S -","- C23 H22 Br Mn N2 O3 S -","- C92 H88 Br4 Mn4 N8 O12 S4 -","4","1","","Hruzd, Mariia; Kleynemeyer, Sabrina L.; Michon, Christophe; Bastin, Stéphanie; Pollet, Eric; Ritleng, Vincent; Sortais, Jean-Baptiste","Thioether-NHC bidentate manganese complexes as efficient phosphine-free catalysts for hydrogenation at room temperature.","Chemical communications (Cambridge, England)","2025","61","14","2969","2972","10.1039/d4cc06627h","","","0.71073","MoKα","","0.0388","0.0303","","","0.0661","0.0693","","","","","","1.045","","","","has coordinates","298044","2025-03-04","18:36:49",""
"7134179","9.9056","0.0006","10.076","0.0006","10.9491","0.0005","107.517","0.005","91.562","0.004","116.601","0.006","914.85","0.11","143","","143","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H40 N12 O2 -","- C38 H40 N12 O2 -","- C38 H40 N12 O2 -","1","0.5","","Watanabe, Kosuke; Toya, Teruki; Toyota, Yuto; Kobayashi, Yoichi; Usuba, Junichi; Hijikata, Yuh; Matsuda, Ryotaro; Nishimura, Katsuyuki; Sugiyama, Haruki; Segawa, Yasutomo","Synthesis of fully fused tetrapyrazinoporphyrazine polymers bearing three-dimensional structures controlled by steric repulsion.","Chemical communications (Cambridge, England)","2025","61","13","2822","2825","10.1039/d4cc06293k","","","0.71073","MoKα","","0.086","0.0539","","","0.1242","0.1379","","","","","","1.057","","","","has coordinates,has disorder","298038","2025-03-04","18:33:40",""
"7134180","8.6557","0.0005","14.4716","0.0008","17.0096","0.0009","90","","90","","90","","2130.7","0.2","143","","143","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N10 -","- C22 H22 N10 -","- C88 H88 N40 -","4","0.5","","Watanabe, Kosuke; Toya, Teruki; Toyota, Yuto; Kobayashi, Yoichi; Usuba, Junichi; Hijikata, Yuh; Matsuda, Ryotaro; Nishimura, Katsuyuki; Sugiyama, Haruki; Segawa, Yasutomo","Synthesis of fully fused tetrapyrazinoporphyrazine polymers bearing three-dimensional structures controlled by steric repulsion.","Chemical communications (Cambridge, England)","2025","61","13","2822","2825","10.1039/d4cc06293k","","","0.71073","MoKα","","0.0815","0.052","","","0.1253","0.1374","","","","","","1.051","","","","has coordinates,has disorder","298038","2025-03-04","18:33:52",""
"7134181","9.3572","0.0005","13.3654","0.0005","11.4576","0.0007","90","","99.79","0.006","90","","1412.05","0.13","143","","143","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N16 O2 S2 Zn -","- C28 H20 N16 O2 S2 Zn -","- C56 H40 N32 O4 S4 Zn2 -","2","0.5","","Watanabe, Kosuke; Toya, Teruki; Toyota, Yuto; Kobayashi, Yoichi; Usuba, Junichi; Hijikata, Yuh; Matsuda, Ryotaro; Nishimura, Katsuyuki; Sugiyama, Haruki; Segawa, Yasutomo","Synthesis of fully fused tetrapyrazinoporphyrazine polymers bearing three-dimensional structures controlled by steric repulsion.","Chemical communications (Cambridge, England)","2025","61","13","2822","2825","10.1039/d4cc06293k","","x-ray","0.71073","MoKα","","0.0859","0.0571","","","0.146","0.1634","","","","","","1.074","","","","has coordinates,has disorder","298038","2025-03-04","18:33:52",""
"7134182","17.1684","0.0008","9.2231","0.0004","12.1013","0.0006","90","","108.561","0.005","90","","1816.52","0.16","143","","143","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 N10 -","- C40 H42 N10 -","- C80 H84 N20 -","2","0.5","","Watanabe, Kosuke; Toya, Teruki; Toyota, Yuto; Kobayashi, Yoichi; Usuba, Junichi; Hijikata, Yuh; Matsuda, Ryotaro; Nishimura, Katsuyuki; Sugiyama, Haruki; Segawa, Yasutomo","Synthesis of fully fused tetrapyrazinoporphyrazine polymers bearing three-dimensional structures controlled by steric repulsion.","Chemical communications (Cambridge, England)","2025","61","13","2822","2825","10.1039/d4cc06293k","","","0.71073","MoKα","","0.1199","0.0587","","","0.1317","0.1529","","","","","","1.034","","","","has coordinates","298038","2025-03-04","18:33:52",""
"7134183","9.8681","0.0002","10.6446","0.0002","21.1836","0.0004","90","","90","","90","","2225.17","0.07","296","2","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br N O2 S -","- C24 H24 Br N O2 S -","- C96 H96 Br4 N4 O8 S4 -","4","1","","Fang, Yi-Jun; Wu, Xiao-Bao; Wang, Qi-Ming; Xie, Zu-Kui; Yao, Chuan-Zhi; Jiang, Hua-Jie; Yu, Jie","High-performance anionic stereogenic-at-cobalt(III) complex/halide salts/oxone catalytic system for enantioselective halocyclization of olefins.","Chemical communications (Cambridge, England)","2025","61","13","2814","2817","10.1039/d4cc06610c","","","1.34139","GaKα","","0.0418","0.0383","","","0.0931","0.0966","","","","","","1.07","","","","has coordinates","298037","2025-03-04","18:32:57",""
"7134184","22.112","0.007","5.91","0.002","12.384","0.004","90","","103.404","0.017","90","","1574.3","0.9","296","2","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Cl N2 O4 S -","- C13 H17 Cl N2 O4 S -","- C52 H68 Cl4 N8 O16 S4 -","4","1","","Fang, Yi-Jun; Wu, Xiao-Bao; Wang, Qi-Ming; Xie, Zu-Kui; Yao, Chuan-Zhi; Jiang, Hua-Jie; Yu, Jie","High-performance anionic stereogenic-at-cobalt(III) complex/halide salts/oxone catalytic system for enantioselective halocyclization of olefins.","Chemical communications (Cambridge, England)","2025","61","13","2814","2817","10.1039/d4cc06610c","","","1.34139","GaKα","","0.1195","0.0757","","","0.2055","0.2448","","","","","","1.094","","","","has coordinates","298037","2025-03-04","18:32:58",""
"7134185","12.403","0.011","5.914","0.004","22.599","0.016","90","","104.87","0.02","90","","1602","2","296.15","","296.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C13 H17 Br N2 O4 S -","- C13 H17 Br N2 O4 S -","- C52 H68 Br4 N8 O16 S4 -","4","1","","Fang, Yi-Jun; Wu, Xiao-Bao; Wang, Qi-Ming; Xie, Zu-Kui; Yao, Chuan-Zhi; Jiang, Hua-Jie; Yu, Jie","High-performance anionic stereogenic-at-cobalt(III) complex/halide salts/oxone catalytic system for enantioselective halocyclization of olefins.","Chemical communications (Cambridge, England)","2025","61","13","2814","2817","10.1039/d4cc06610c","","","0.71073","MoKα","","0.1754","0.0782","","","0.175","0.2212","","","","","","0.968","","","","has coordinates","298037","2025-03-04","18:32:58",""
"7134186","10.0954","0.0002","6.1839","0.0001","13.3904","0.0002","90","","106.362","0.001","90","","802.09","0.02","296","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H17 Br N2 O4 S -","- C13 H17 Br N2 O4 S -","- C26 H34 Br2 N4 O8 S2 -","2","1","","Fang, Yi-Jun; Wu, Xiao-Bao; Wang, Qi-Ming; Xie, Zu-Kui; Yao, Chuan-Zhi; Jiang, Hua-Jie; Yu, Jie","High-performance anionic stereogenic-at-cobalt(III) complex/halide salts/oxone catalytic system for enantioselective halocyclization of olefins.","Chemical communications (Cambridge, England)","2025","61","13","2814","2817","10.1039/d4cc06610c","","","1.34139","GaKα","","0.0521","0.0437","","","0.1146","0.1239","","","","","","1.033","","","","has coordinates","298037","2025-03-04","18:32:58",""
"7134187","16.8356","0.0009","22.3238","0.0014","26.6877","0.0015","70.721","0.002","73.976","0.002","71.123","0.002","8796.2","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C124 H186 Ag10 F12 N8 O8 P6 S4 -","- C124 H186 Ag10 F12 N8 O8 P6 S4 -","- C248 H372 Ag20 F24 N16 O16 P12 S8 -","2","1","","Francis, Maria; Patra, Asutosh; Salam, Farsana Abdul; Prathapa, Siriyara Jagannatha; Roy, Sudipta","Isolation of mixed valence charge-neutral Ag<sub>12</sub>, and dicationic Ag<sub>10</sub> nano-clusters stabilized by carbene-phosphaalkenides.","Chemical communications (Cambridge, England)","2025","61","7","1379","1382","10.1039/d4cc05628k","","","0.71073","MoKα","","0.0913","0.0698","","","0.2131","0.2351","","","","","","1.039","","","","has coordinates,has disorder","297359","2025-01-16","22:50:42",""
"7134188","32.5258","0.0013","32.5258","0.0013","16.6904","0.001","90","","90","","120","","15291.6","1.3","100","2","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H186 Ag12 Cl3 N6 P6 -","- C120 H186 Ag12 Cl3 N6 P6 -","- C360 H558 Ag36 Cl9 N18 P18 -","3","0.166667","","Francis, Maria; Patra, Asutosh; Salam, Farsana Abdul; Prathapa, Siriyara Jagannatha; Roy, Sudipta","Isolation of mixed valence charge-neutral Ag<sub>12</sub>, and dicationic Ag<sub>10</sub> nano-clusters stabilized by carbene-phosphaalkenides.","Chemical communications (Cambridge, England)","2025","61","7","1379","1382","10.1039/d4cc05628k","","","0.71073","MoKα","","0.1025","0.0832","","","0.2523","0.2759","","","","","","1.134","","","","has coordinates","297359","2025-01-16","22:50:45",""
"7134189","12.6627","0.0002","15.3055","0.0002","12.8279","0.0002","90","","101.373","0.002","90","","2437.34","0.07","291.86","0.1","291.86","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N3 O3 S -","- C26 H31 N3 O3 S -","- C104 H124 N12 O12 S4 -","4","1","","Chaudhary, Dhananjay; Maurya, Chandra Shekhar; Unnikrishnan, Urmila; Kuram, Malleswara Rao","HFIP-mediated cascade aminomethylation and intramolecular cyclization of allenamides with <i>N</i>,<i>O</i>-acetals to access tetrahydro-β-carboline derivatives.","Chemical communications (Cambridge, England)","2025","61","14","2981","2984","10.1039/d5cc00154d","","x-ray","1.54184","CuKα","","0.05","0.0432","","","0.1232","0.1302","","","","","","1.06","","","","has coordinates","298045","2025-03-04","18:37:01",""
"7134190","9.0515","0.0005","11.5963","0.0007","15.9542","0.0009","70.366","0.002","89.852","0.002","81.103","0.002","1556.08","0.16","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H22 Cr F3 N2 O6 S -","- C19 H24 Cr F9 N2 O13 S3 -","- C38 H48 Cr2 F18 N4 O26 S6 -","2","1","","Shen, Zhi-Kai; Li, Zi-Jian; Zou, Zhigang; Yu, Zhen-Tao","Identification of the Cr(V)O intermediate in electrocatalytic water oxidation by a chromium(III)-aqua complex.","Chemical communications (Cambridge, England)","2025","61","16","3387","3390","10.1039/d4cc06720g","","x-ray","0.71073","MoKα","","0.0872","0.0568","","","0.1068","0.1232","","","","","","1.069","","","","has coordinates,has disorder","298032","2025-03-04","18:30:32",""
"7134191","12.974","0.003","12.974","0.003","15.367","0.003","90","0.03","90","0.03","120","0.03","2240.1","1.1","273","2","273","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- B45 K18 Na3 O90 Sr3 Y6 -","- B45 K18 Na3 O90 Sr3 Y6 -","- B45 K18 Na3 O90 Sr3 Y6 -","1","0.0555556","","Liu, Mengru; Kong, Xianghao; Li, Shuaifeng; Ye, Ning; Hu, Zhanggui; Wu, Yicheng; Li, Conggang","Designing rare earth borates as UV nonlinear optical crystals exhibiting strong second-harmonic generation responses.","Chemical communications (Cambridge, England)","2025","61","15","3155","3158","10.1039/d4cc06664b","","","0.71073","MoKα","","0.062","0.0504","","","0.1372","0.1478","","","","","","1.148","","","","has coordinates","298062","2025-03-04","18:44:21",""
"7134192","13.5347","0.0008","13.5347","0.0008","15.719","0.0013","90","","90","","120","","2493.7","0.3","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B2.5 Ba0.17 Lu0.33 O5 Rb1.17 -","- B2.5 Ba0.166667 Lu0.333333 O5 Rb1.16667 -","- B45 Ba3 Lu6 O90 Rb21 -","18","1","","Liu, Mengru; Kong, Xianghao; Li, Shuaifeng; Ye, Ning; Hu, Zhanggui; Wu, Yicheng; Li, Conggang","Designing rare earth borates as UV nonlinear optical crystals exhibiting strong second-harmonic generation responses.","Chemical communications (Cambridge, England)","2025","61","15","3155","3158","10.1039/d4cc06664b","","","0.71073","MoKα","","0.0482","0.0433","","","0.1126","0.1157","","","","","","1.051","","","","has coordinates","298062","2025-03-04","18:44:21",""
"7134193","6.7614","0.0019","7.298","0.002","11.361","0.003","82.509","0.018","89.624","0.018","84.148","0.019","552.9","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Br N O2 -","- C11 H9 Br N O2 -","- C22 H18 Br2 N2 O4 -","2","1","","Wang, Jingjing; Qin, Yuran; Cui, Ke; Li, Xueqi; Cui, Mingyue; Cao, Sheng; Zhang, Linbo; Shen, Qin; Wang, Teng; Li, Feng","Solvent-controlled silver catalyzed radical transformation of α-imino-oxy acids with cyclic aldimines.","Chemical communications (Cambridge, England)","2025","61","16","3359","3362","10.1039/d4cc05675b","","","0.71073","MoKα","","0.0648","0.0431","","","0.0953","0.1045","","","","","","1.058","","","","has coordinates","298029","2025-03-04","18:29:11",""
"7134194","7.7907","0.0005","9.2425","0.0006","9.679","0.0005","106.943","0.002","105.014","0.002","96.858","0.003","629.44","0.07","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 N2 O3 S -","- C12 H12 N2 O3 S -","- C24 H24 N4 O6 S2 -","2","1","","Wang, Jingjing; Qin, Yuran; Cui, Ke; Li, Xueqi; Cui, Mingyue; Cao, Sheng; Zhang, Linbo; Shen, Qin; Wang, Teng; Li, Feng","Solvent-controlled silver catalyzed radical transformation of α-imino-oxy acids with cyclic aldimines.","Chemical communications (Cambridge, England)","2025","61","16","3359","3362","10.1039/d4cc05675b","","","0.71073","MoKα","","0.0503","0.0432","","","0.1072","0.1118","","","","","","1.088","","","","has coordinates","298029","2025-03-04","18:29:12",""
"7134195","9.0198","0.0004","9.8165","0.0004","11.3146","0.0004","89.792","0.003","89.757","0.003","63.581","0.004","897.19","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N2 O4 S2 -","- C18 H18 N2 O4 S2 -","- C36 H36 N4 O8 S4 -","2","1","","Pal, Kuntal; Dash, Om Prakash; Volla, Chandra M. R.","Rhodium/selenium dual catalysis for accessing 2-aminopyrroles from <i>N</i>-sulfonyl-1,2,3-triazoles.","Chemical communications (Cambridge, England)","2025","61","19","3872","3875","10.1039/d4cc06346e","","x-ray","0.71073","MoKα","","0.0399","0.0352","","","0.0925","0.0966","","","","","","1.051","","","","has coordinates","298026","2025-03-04","18:27:38",""
"7134196","14.5277","0.0006","14.8392","0.0006","32.2982","0.0014","98.541","0.002","98.294","0.002","90.455","0.002","6810.5","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","4-((2'-chloro-4,4'-dimethyl-[1,1'-biphenyl]-3-yl)thio)butyl butylcarbamate","","- C23 H30 Cl N O2 S -","- C23 H30 Cl N O2 S -","- C276 H360 Cl12 N12 O24 S12 -","12","6","","Kang, Bangxiong; Li, Wei; Jiang, Huanfeng; Qi, Chaorong","Metal-free four-component coupling of cyclic diarylchloronium salts, tetrahydrothiophene, amines and carbon dioxide.","Chemical communications (Cambridge, England)","2025","61","16","3395","3398","10.1039/d4cc05919k","","","1.54178","CuKα","","0.1397","0.1021","","","0.2603","0.2948","","","","","","1.023","","","","has coordinates","298033","2025-03-04","18:31:05",""
"7134197","9.372","0.004","18.509","0.01","32.59","0.016","90","","96.362","0.012","90","","5618","5","112","","112","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H86 K N O3 Te2 -","- C59 H86 K N O3 Te2 -","- C236 H344 K4 N4 O12 Te8 -","4","1","","Gray, Novan A. G.; Britten, James F.; Emslie, David J. H.","Potassium-telluroether interactions: structural characterisation and computational analysis.","Chemical communications (Cambridge, England)","2025","61","15","3143","3146","10.1039/d4cc06539e","","","0.71073","MoKα","","0.0982","0.0535","","","0.1164","0.1376","","","","","","1.035","","","","has coordinates,has disorder","298061","2025-03-04","18:44:07",""
"7134198","24.534","0.015","18.432","0.013","10.716","0.008","90","","97.869","0.013","90","","4800","6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H61 K N Te2 -","- C47 H61 K N Te2 -","- C188 H244 K4 N4 Te8 -","4","1","","Gray, Novan A. G.; Britten, James F.; Emslie, David J. H.","Potassium-telluroether interactions: structural characterisation and computational analysis.","Chemical communications (Cambridge, England)","2025","61","15","3143","3146","10.1039/d4cc06539e","","","0.71073","MoKα","","0.1296","0.0977","","","0.2605","0.2888","","","","","","1.077","","","","has coordinates","298061","2025-03-04","18:44:08",""
"7134199","9.342","0.004","18.461","0.007","29.14","0.008","90","","92.67","0.01","90","","5020","3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H78 K N O2 Se2 -","- C55 H78 K N O2 Se2 -","- C220 H312 K4 N4 O8 Se8 -","4","1","","Gray, Novan A. G.; Britten, James F.; Emslie, David J. H.","Potassium-telluroether interactions: structural characterisation and computational analysis.","Chemical communications (Cambridge, England)","2025","61","15","3143","3146","10.1039/d4cc06539e","","","0.71073","MoKα","","0.2014","0.1975","","","0.4378","0.4396","","","","","","1.246","","","","has coordinates","298061","2025-03-04","18:44:08",""
"7134200","9.312","0.005","18.55","0.009","35.565","0.016","90","","95.108","0.009","90","","6119","5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H100 K N O3 Se2 -","- C65 H100 K N O3 Se2 -","- C260 H400 K4 N4 O12 Se8 -","4","1","","Gray, Novan A. G.; Britten, James F.; Emslie, David J. H.","Potassium-telluroether interactions: structural characterisation and computational analysis.","Chemical communications (Cambridge, England)","2025","61","15","3143","3146","10.1039/d4cc06539e","","","0.71073","MoKα","","0.2331","0.1717","","","0.3846","0.411","","","","","","1.18","","","","has coordinates","298061","2025-03-04","18:44:08",""
"7134201","11.8264","0.0005","21.1618","0.001","21.7622","0.001","111.549","0.002","102.509","0.002","99.005","0.002","4775.4","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C65 H41 Cl3 -","- C65 H41 Cl3 -","- C260 H164 Cl12 -","4","2","","Sujilkumar, Suvarna; Hari, Avinash; Hariharan, Mahesh","Through-space conjugation driven luminescence enhancement in crystalline butterfly architectures.","Chemical communications (Cambridge, England)","2025","61","16","3331","3334","10.1039/d4cc05351f","","","0.71073","MoKα","","0.0869","0.0779","","","0.2213","0.234","","","","","","1.058","","","","has coordinates,has disorder","298030","2025-03-04","18:29:29",""
"7134202","22.7452","0.0009","7.7582","0.0003","24.2788","0.001","90","","94.036","0.002","90","","4273.7","0.3","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C64 H40 -","- C64 H40 -","- C256 H160 -","4","0.5","","Sujilkumar, Suvarna; Hari, Avinash; Hariharan, Mahesh","Through-space conjugation driven luminescence enhancement in crystalline butterfly architectures.","Chemical communications (Cambridge, England)","2025","61","16","3331","3334","10.1039/d4cc05351f","","","0.71073","MoKα","","0.0613","0.0497","","","0.1369","0.1482","","","","","","1.057","","","","has coordinates,has disorder","298030","2025-03-04","18:29:29",""
"7134203","8.6738","0.0014","29.966","0.006","17.4","0.003","90","","97.838","0.011","90","","4480.3","1.4","200","2","200.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H64 F6 N3 O P -","- C44 H64 F6 N3 O P -","- C176 H256 F24 N12 O4 P4 -","4","1","","Park, Hojeong; Niu, Guangle; Wong, Alex Y. H.; Yu, Eric Y.; Kwok, Ryan T. K.; Tang, Ben Zhong","Reaction-free mitochondrial membrane potential independent luminogens with aggregation-induced emission characteristics for live neuron imaging.","Chemical communications (Cambridge, England)","2025","61","17","3536","3539","10.1039/d4cc06022a","","","1.54178","CuKα","","0.2519","0.1451","","","0.3559","0.4858","","","","","","0.9991","","","","has coordinates,has disorder","298013","2025-03-04","18:20:17",""
"7134204","13.2163","0.0006","8.2052","0.0002","28.5094","0.0012","90","","96.531","0.004","90","","3071.6","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26.25 H27.5 Bi Br2 Cl0.5 N2 -","- C26 H27 Bi Br2 N2 -","- C104 H108 Bi4 Br8 N8 -","4","1","","Deuter, Katharina L.; Balaba, Daisy J. J.; Linseis, Michael; Winter, Rainer F.","Room-temperature near-infrared phosphorescence of a bismuthinidene N,C,N pincer complex.","Chemical communications (Cambridge, England)","2025","61","17","3548","3551","10.1039/d5cc00127g","","x-ray","0.71073","MoKα","","0.064","0.0489","","","0.1319","0.1454","","","","","","1.068","","","","has coordinates","298015","2025-03-04","18:21:00",""
"7134205","8.5116","0.0009","10.8836","0.0011","24.405","0.003","90","","90","","90","","2260.8","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Br N2 -","- C26 H27 Br N2 -","- C104 H108 Br4 N8 -","4","1","","Deuter, Katharina L.; Balaba, Daisy J. J.; Linseis, Michael; Winter, Rainer F.","Room-temperature near-infrared phosphorescence of a bismuthinidene N,C,N pincer complex.","Chemical communications (Cambridge, England)","2025","61","17","3548","3551","10.1039/d5cc00127g","","x-ray","0.71073","MoKα","","0.0375","0.0302","","","0.064","0.0682","","","","","","1.086","","","","has coordinates","298015","2025-03-04","18:21:03",""
"7134206","7.639","0.017","21.17","0.03","8.402","0.014","90","","99.33","0.04","90","","1341","4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F3 N2 -","- C14 H11 F3 N2 -","- C56 H44 F12 N8 -","4","1","","Singh, Shashank; Kundu, Arindam; Empel, Claire; Koenigs, René Michael; Singh, Ravi P.","A radical approach towards polarity-reversed <i>para</i>-substitution of electron-deficient arenes.","Chemical communications (Cambridge, England)","2025","61","19","3888","3891","10.1039/d4cc04914d","","","0.71073","MoKα","","0.1673","0.0558","","","0.1158","0.1602","","","","","","0.99","","","","has coordinates,has disorder","298028","2025-03-04","18:28:52",""
"7134207","13.1854","0.0009","8.7585","0.0006","14.5343","0.0011","90","","101.895","0.003","90","","1642.4","0.2","303","2","303","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 F3 N2 -","- C19 H11 F3 N2 -","- C76 H44 F12 N8 -","4","1","","Singh, Shashank; Kundu, Arindam; Empel, Claire; Koenigs, René Michael; Singh, Ravi P.","A radical approach towards polarity-reversed <i>para</i>-substitution of electron-deficient arenes.","Chemical communications (Cambridge, England)","2025","61","19","3888","3891","10.1039/d4cc04914d","","","0.71073","MoKα","","0.1351","0.0826","","","0.2457","0.2981","","","","","","1.05","","","","has coordinates,has disorder","298028","2025-03-04","18:28:53",""
"7134208","34.3966","0.0012","14.9997","0.0004","31.701","0.002","90","","101.865","0.005","90","","16006.3","1.3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","BBA-(1-Me)-8,12-OMe (absorbed in crystalline sponge)","(2',6'-dimethoxy-4-methyl-[1,1'-biphenyl]-2-yl)methanol absored in crystalline sponge","","- C50.41 H41.1 I6 N12 O2.51 Zn3 -","- C50.4058 H41.1006 I6 N12 O2.5095 Zn3 -","- C403.246 H328.805 I48 N96 O20.076 Zn24 -","8","1","","Pearce, James E.; Hodgson, Jack; Folgueiras-Amador, Ana A; Fish, Johanna A.; Carroll, Robert C.; Coles, Simon J.; Parsons, Philip J.; Brown, Richard C. D.; Harrowven, David C.","The electrosynthesis of highly encumbered biaryls from aryl <i>o</i>-iodobenzyl ethers by a radical to polar crossover sequence.","Chemical communications (Cambridge, England)","2025","61","20","4042","4045","10.1039/d4cc06061j","","x-ray","1.54184","CuKα","","0.1386","0.1124","","","0.3185","0.337","","","","","","1.071","","","","has coordinates,has disorder","298778","2025-04-05","02:12:24",""
"7134209","35.0015","0.0005","14.8912","0.0001","31.1462","0.0004","90","","101.513","0.001","90","","15907.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","BBA-10-Me","(2',4',6'-trimethyl-[1,1'-biphenyl]-2-yl)methanol absorbed in crystalline sponge","","- C39.42 H28.84 I6 N12 O0.14 Zn3 -","- C39.4166 H28.8354 I6 N12 O0.1427 Zn3 -","- C315.333 H230.683 I48 N96 O1.1416 Zn24 -","8","1","","Pearce, James E.; Hodgson, Jack; Folgueiras-Amador, Ana A; Fish, Johanna A.; Carroll, Robert C.; Coles, Simon J.; Parsons, Philip J.; Brown, Richard C. D.; Harrowven, David C.","The electrosynthesis of highly encumbered biaryls from aryl <i>o</i>-iodobenzyl ethers by a radical to polar crossover sequence.","Chemical communications (Cambridge, England)","2025","61","20","4042","4045","10.1039/d4cc06061j","","x-ray","1.54184","CuKα","","0.0715","0.0637","","","0.2135","0.225","","","","","","1.071","","","","has coordinates,has disorder","298778","2025-04-05","02:12:24",""
"7134210","8.2544","0.0003","11.6397","0.0005","18.6492","0.0008","91.086","0.003","91.102","0.002","102.584","0.002","1747.93","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H51 B3 Te2 Ti3 -","- C30 H51 B3 Te2 Ti3 -","- C60 H102 B6 Te4 Ti6 -","2","1","","Bairagi, Subhash; Chatterjee, Debipada; Giri, Soumen; Ghosh, Sundargopal","Hypoelectronic titanaboranes: icosahedral and tetracapped tetrahedral clusters comprising bridging hydrides.","Chemical communications (Cambridge, England)","2025","61","18","3696","3699","10.1039/d4cc06535b","","","0.71073","MoKα","","0.1079","0.0632","","","0.1397","0.166","","","","","","1.064","","","","has coordinates,has disorder","298064","2025-03-04","18:45:02",""
"7134211","17.2436","0.0017","11.5096","0.001","18.5384","0.0016","90","","90","","90","","3679.3","0.6","302","2","302","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H53 B9 Cl2 Ti3 -","- C30 H53 B9 Cl2 Ti3 -","- C120 H212 B36 Cl8 Ti12 -","4","1","","Bairagi, Subhash; Chatterjee, Debipada; Giri, Soumen; Ghosh, Sundargopal","Hypoelectronic titanaboranes: icosahedral and tetracapped tetrahedral clusters comprising bridging hydrides.","Chemical communications (Cambridge, England)","2025","61","18","3696","3699","10.1039/d4cc06535b","","","0.71073","MoKα","","0.0645","0.0594","","","0.1386","0.1413","","","","","","1.119","","","","has coordinates","298064","2025-03-04","18:45:02",""
"7134212","15.9297","0.0012","16.0271","0.0012","29.237","0.002","90","","90","","90","","7464.4","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H49 B5 Se2 Ti2 -","- C32 H49 B5 Se2 Ti2 -","- C256 H392 B40 Se16 Ti16 -","8","1","","Bairagi, Subhash; Chatterjee, Debipada; Giri, Soumen; Ghosh, Sundargopal","Hypoelectronic titanaboranes: icosahedral and tetracapped tetrahedral clusters comprising bridging hydrides.","Chemical communications (Cambridge, England)","2025","61","18","3696","3699","10.1039/d4cc06535b","","","0.71073","MoKα","","0.0617","0.0401","","","0.0871","0.0972","","","","","","1.052","","","","has coordinates","298064","2025-03-04","18:45:02",""
"7134213","11.0758","0.0011","11.5452","0.0014","17.0605","0.0019","74.577","0.009","85.39","0.009","82.42","0.009","2082.3","0.4","120","2","120","","","","","","","","","8","P -1","-P 1","2","","","","- C79 H112 B2 Br2 Cl2 N2 P4 Pt2 -","- C79 H112 B2 Br2 Cl2 N2 P4 Pt2 -","- C79 H112 B2 Br2 Cl2 N2 P4 Pt2 -","1","0.5","","Ordyszewska, Anna; Czaplewski, Antoni; Wojnowski, Tomasz; Anusiewicz, Iwona; Chojnacki, Jarosław; Grubba, Rafał","Side-on phosphinoboryl platinum(II) complexes.","Chemical communications (Cambridge, England)","2025","61","18","3728","3731","10.1039/d4cc06268j","","","1.54186","CuKα","","0.1086","0.0932","","","0.2426","0.2593","","","","","","1.049","","","","has coordinates,has disorder","298066","2025-03-04","18:46:22",""
"7134214","10.5156","0.0006","12.0709","0.0007","17.3124","0.0012","84.53","0.005","78.986","0.005","68.327","0.004","2003.8","0.2","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H69 B Br N P2 Pt -","- C40 H69 B Br N P2 Pt -","- C80 H138 B2 Br2 N2 P4 Pt2 -","2","1","","Ordyszewska, Anna; Czaplewski, Antoni; Wojnowski, Tomasz; Anusiewicz, Iwona; Chojnacki, Jarosław; Grubba, Rafał","Side-on phosphinoboryl platinum(II) complexes.","Chemical communications (Cambridge, England)","2025","61","18","3728","3731","10.1039/d4cc06268j","","","0.71073","MoKα","","0.1595","0.0751","","","0.1582","0.1895","","","","","","0.944","","","","has coordinates","298066","2025-03-04","18:46:23",""
"7134215","10.6332","0.0008","11.0382","0.0008","17.2246","0.0013","91.194","0.006","94.582","0.006","113.932","0.005","1838.8","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H65 B Br N P2 Pt -","- C32 H65 B Br N P2 Pt -","- C64 H130 B2 Br2 N2 P4 Pt2 -","2","1","","Ordyszewska, Anna; Czaplewski, Antoni; Wojnowski, Tomasz; Anusiewicz, Iwona; Chojnacki, Jarosław; Grubba, Rafał","Side-on phosphinoboryl platinum(II) complexes.","Chemical communications (Cambridge, England)","2025","61","18","3728","3731","10.1039/d4cc06268j","","","0.71073","MoKα","","0.0253","0.0211","","","0.0473","0.0488","","","","","","1.039","","","","has coordinates","298066","2025-03-04","18:46:23",""
"7134216","39.0652","0.0015","10.9573","0.0003","21.2389","0.001","90","","112.278","0.003","90","","8412.7","0.6","220","2","220","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C39 H65 B Br D6 N O2 P2 Pt -","- C39 H65 B Br D6 N O2 P2 Pt -","- C312 H520 B8 Br8 D48 N8 O16 P16 Pt8 -","8","1","","Ordyszewska, Anna; Czaplewski, Antoni; Wojnowski, Tomasz; Anusiewicz, Iwona; Chojnacki, Jarosław; Grubba, Rafał","Side-on phosphinoboryl platinum(II) complexes.","Chemical communications (Cambridge, England)","2025","61","18","3728","3731","10.1039/d4cc06268j","","","0.71073","MoKα","","0.0328","0.0256","","","0.0563","0.0601","","","","","","1.086","","","","has coordinates","298066","2025-03-04","18:46:23",""
"7134217","13.0812","0.0009","12.5821","0.0007","23.0932","0.0017","90","","106.007","0.005","90","","3653.5","0.4","120","2","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H67 Br P2 Pt -","- C36 H67 Br P2 Pt -","- C144 H268 Br4 P8 Pt4 -","4","1","","Ordyszewska, Anna; Czaplewski, Antoni; Wojnowski, Tomasz; Anusiewicz, Iwona; Chojnacki, Jarosław; Grubba, Rafał","Side-on phosphinoboryl platinum(II) complexes.","Chemical communications (Cambridge, England)","2025","61","18","3728","3731","10.1039/d4cc06268j","","","0.71073","MoKα","","0.0452","0.031","","","0.0688","0.0745","","","","","","1.018","","","","has coordinates","298066","2025-03-04","18:46:23",""
"7134218","16.6373","0.0011","9.5591","0.0004","22.1962","0.0015","90","","91.983","0.005","90","","3527.9","0.4","120","2","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H66 P2 Pt -","- C36 H66 P2 Pt -","- C144 H264 P8 Pt4 -","4","0.5","","Ordyszewska, Anna; Czaplewski, Antoni; Wojnowski, Tomasz; Anusiewicz, Iwona; Chojnacki, Jarosław; Grubba, Rafał","Side-on phosphinoboryl platinum(II) complexes.","Chemical communications (Cambridge, England)","2025","61","18","3728","3731","10.1039/d4cc06268j","","","0.71073","MoKα","","0.0187","0.0176","","","0.0426","0.0434","","","","","","1.063","","","","has coordinates","298066","2025-03-04","18:46:23",""
"7134219","15.9051","0.0007","13.8819","0.0004","19.7934","0.0009","90","","112.643","0.003","90","","4033.4","0.3","100","","100","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C66 H97 B2 Br2 N2 P3 Pt2 -","- C66 H97 B2 Br2 N2 P3 Pt2 -","- C132 H194 B4 Br4 N4 P6 Pt4 -","2","1","","Ordyszewska, Anna; Czaplewski, Antoni; Wojnowski, Tomasz; Anusiewicz, Iwona; Chojnacki, Jarosław; Grubba, Rafał","Side-on phosphinoboryl platinum(II) complexes.","Chemical communications (Cambridge, England)","2025","61","18","3728","3731","10.1039/d4cc06268j","","","0.71073","MoKα","","0.095","0.0618","","","0.1462","0.1618","","","","","","1.022","","","","has coordinates,has disorder","298066","2025-03-04","18:46:23",""
"7134220","12.351","0.003","16.632","0.003","19.686","0.005","90","","101.65","0.02","90","","3960.6","1.6","220","","220","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H69 B Br N P2 Pt -","- C36 H69 B Br N P2 Pt -","- C144 H276 B4 Br4 N4 P8 Pt4 -","4","1","","Ordyszewska, Anna; Czaplewski, Antoni; Wojnowski, Tomasz; Anusiewicz, Iwona; Chojnacki, Jarosław; Grubba, Rafał","Side-on phosphinoboryl platinum(II) complexes.","Chemical communications (Cambridge, England)","2025","61","18","3728","3731","10.1039/d4cc06268j","","","1.54186","CuKα","","0.0833","0.049","","","0.093","0.1088","","","","","","1.05","","","","has coordinates,has disorder","298066","2025-03-04","18:46:23",""
"7134221","11.9433","0.001","12.3276","0.001","20.132","0.0017","75.06","0.001","81.142","0.001","75.914","0.001","2764.6","0.4","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H23 N O5 -","- C28 H23 N O5 -","- C112 H92 N4 O20 -","4","2","","Huang, Xuelian; Yang, Gaosheng; Chai, Zhuo","Diastereoselective synthesis of benzazocines by Zn(OTf)<sub>2</sub>-catalyzed (4+4) cyclocondensation of multisubstituted donor-acceptor cyclopropanes with anthranils.","Chemical communications (Cambridge, England)","2025","61","18","3704","3707","10.1039/d4cc06690a","","","0.71073","MoKα","","0.1004","0.0722","","","0.2243","0.2479","","","","","","1.03","","","","has coordinates","298067","2025-03-04","18:47:00",""
"7134222","11.5209","0.0002","11.5209","0.0002","40.4128","0.0012","90","","90","","120","","4645.39","0.18","273.15","","273.15","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C35 H31 Br O5 -","- C35 H31 Br O5 -","- C210 H186 Br6 O30 -","6","1","","Huang, Xuelian; Yang, Gaosheng; Chai, Zhuo","Diastereoselective synthesis of benzazocines by Zn(OTf)<sub>2</sub>-catalyzed (4+4) cyclocondensation of multisubstituted donor-acceptor cyclopropanes with anthranils.","Chemical communications (Cambridge, England)","2025","61","18","3704","3707","10.1039/d4cc06690a","","","1.54178","CuKα","","0.0651","0.055","","","0.1437","0.1533","","","","","","1.075","","","","has coordinates,has disorder","298067","2025-03-04","18:47:02",""
"7134223","11.3577","0.0014","12.6655","0.0016","27.035","0.003","90","","90","","90","","3889","0.8","293.15","","293.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C200 H200 N8 O16 -","8","2","","Huang, Xuelian; Yang, Gaosheng; Chai, Zhuo","Diastereoselective synthesis of benzazocines by Zn(OTf)<sub>2</sub>-catalyzed (4+4) cyclocondensation of multisubstituted donor-acceptor cyclopropanes with anthranils.","Chemical communications (Cambridge, England)","2025","61","18","3704","3707","10.1039/d4cc06690a","","x-ray","0.71073","MoKα","","0.064","0.0501","","","0.1292","0.1386","","","","","","1.032","","","","has coordinates","298067","2025-03-04","18:47:02",""
"7134224","10.4122","0.0006","13.8828","0.001","19.5704","0.0013","90","","90","","90","","2828.9","0.3","273","2","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H26 Br N O5 -","- C34 H26 Br N O5 -","- C136 H104 Br4 N4 O20 -","4","1","","Huang, Xuelian; Yang, Gaosheng; Chai, Zhuo","Diastereoselective synthesis of benzazocines by Zn(OTf)<sub>2</sub>-catalyzed (4+4) cyclocondensation of multisubstituted donor-acceptor cyclopropanes with anthranils.","Chemical communications (Cambridge, England)","2025","61","18","3704","3707","10.1039/d4cc06690a","","x-ray","0.71073","MoKα","","0.0641","0.0369","","","0.0759","0.0872","","","","","","1.054","","","","has coordinates","298067","2025-03-04","18:47:02",""
"7134225","10.0943","0.0006","12.4294","0.0008","18.1764","0.0013","85.359","0.002","80.756","0.002","85.323","0.002","2238.1","0.3","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","2","","Huang, Xuelian; Yang, Gaosheng; Chai, Zhuo","Diastereoselective synthesis of benzazocines by Zn(OTf)<sub>2</sub>-catalyzed (4+4) cyclocondensation of multisubstituted donor-acceptor cyclopropanes with anthranils.","Chemical communications (Cambridge, England)","2025","61","18","3704","3707","10.1039/d4cc06690a","","","0.71073","MoKα","","0.0887","0.0573","","","0.1308","0.1538","","","","","","1.067","","","","has coordinates,has disorder","298067","2025-03-04","18:47:02",""
"7134226","9.838","0.004","11.101","0.004","11.425","0.004","97.664","0.005","97.936","0.005","110.262","0.004","1137.1","0.7","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C1.697 H1.515 N0.061 O0.242 -","- C1.69697 H1.51515 N0.0606061 O0.242424 -","- C56 H50 N2 O8 -","33","16.5","","Huang, Xuelian; Yang, Gaosheng; Chai, Zhuo","Diastereoselective synthesis of benzazocines by Zn(OTf)<sub>2</sub>-catalyzed (4+4) cyclocondensation of multisubstituted donor-acceptor cyclopropanes with anthranils.","Chemical communications (Cambridge, England)","2025","61","18","3704","3707","10.1039/d4cc06690a","","x-ray","0.71073","MoKα","","0.0928","0.0552","","","0.1383","0.1543","","","","","","1.0833","","","","has coordinates","298067","2025-03-04","18:47:02",""
"7134227","29.648","0.007","6.1467","0.0014","15.396","0.004","90","","101.548","0.007","90","","2748.9","1.2","300","2","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","1","","Tyagi, Kartikay; Dixit, Tejal; Venkatesh, V.","Visible light-induced photoisomerization of indole-oxindole constructs: molecular disassembly and ROS-mediated apoptosis.","Chemical communications (Cambridge, England)","2025","61","19","3892","3895","10.1039/d4cc06624c","","","0.71073","MoKα","","0.0401","0.0372","","","0.0973","0.1","","","","","","1.066","","","","has coordinates","298027","2025-03-04","18:28:36",""
"7134228","10.576","0.004","4.7113","0.0016","14.303","0.005","90","","102.737","0.013","90","","695.1","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9.5 H7 N O0.5 -","- C9.5 H7 N O0.5 -","- C38 H28 N4 O2 -","4","2","","Tyagi, Kartikay; Dixit, Tejal; Venkatesh, V.","Visible light-induced photoisomerization of indole-oxindole constructs: molecular disassembly and ROS-mediated apoptosis.","Chemical communications (Cambridge, England)","2025","61","19","3892","3895","10.1039/d4cc06624c","","","0.71073","MoKα","","0.1436","0.0792","","","0.1495","0.1728","","","","","","1.002","","","","has coordinates","298027","2025-03-04","18:28:37",""
"7134229","17.846","0.003","3.9434","0.0007","19.519","0.003","90","","97.487","0.006","90","","1361.9","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C76 H56 N8 O4 -","4","1","","Tyagi, Kartikay; Dixit, Tejal; Venkatesh, V.","Visible light-induced photoisomerization of indole-oxindole constructs: molecular disassembly and ROS-mediated apoptosis.","Chemical communications (Cambridge, England)","2025","61","19","3892","3895","10.1039/d4cc06624c","","","0.71073","MoKα","","0.0644","0.0447","","","0.1045","0.1158","","","","","","1.028","","","","has coordinates","298027","2025-03-04","18:28:37",""
"7134230","19.8975","0.0009","7.5952","0.0003","28.4543","0.0012","90","","95.405","0.001","90","","4281.1","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H43 Cl3 N6 O2 -","- C51 H43 Cl3 N6 O2 -","- C204 H172 Cl12 N24 O8 -","4","1","","Tyagi, Kartikay; Dixit, Tejal; Venkatesh, V.","Visible light-induced photoisomerization of indole-oxindole constructs: molecular disassembly and ROS-mediated apoptosis.","Chemical communications (Cambridge, England)","2025","61","19","3892","3895","10.1039/d4cc06624c","","","0.71073","MoKα","","0.0969","0.0542","","","0.137","0.1638","","","","","","1.015","","","","has coordinates","298027","2025-03-04","18:28:37",""
"7134231","38.655","0.009","9.417","0.002","22.232","0.005","90","","93.433","0.006","90","","8078","3","300","2","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H60 N12 O20 S4 -","- C92 H60 N12 O20 S4 -","- C368 H240 N48 O80 S16 -","4","1","","Tyagi, Kartikay; Dixit, Tejal; Venkatesh, V.","Visible light-induced photoisomerization of indole-oxindole constructs: molecular disassembly and ROS-mediated apoptosis.","Chemical communications (Cambridge, England)","2025","61","19","3892","3895","10.1039/d4cc06624c","","","0.71073","MoKα","","0.1145","0.065","","","0.179","0.2203","","","","","","1.024","","","","has coordinates","298027","2025-03-04","18:28:37",""
"7134232","10.6546","0.001","12.1371","0.0011","16.1366","0.0012","80.076","0.007","84.718","0.007","73.091","0.008","1964.7","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H61 B11 Cu N3 P2 -","- C28 H61 B11 Cu N3 P2 -","- C56 H122 B22 Cu2 N6 P4 -","2","1","","Zhang, Kang; Feng, Luting; Jin, Yujie; Liu, Jiyong; Duttwyler, Simon","A σ,π-type monocarborane copper acetylide for regioselective 1,4-disubstituted 1,2,3-triazoles.","Chemical communications (Cambridge, England)","2025","61","20","4026","4029","10.1039/d5cc00077g","","","0.71073","MoKα","","0.0633","0.0443","","","0.0963","0.1099","","","","","","1.032","","","","has coordinates","298777","2025-04-05","02:12:03",""
"7134233","11.4412","0.0004","20.7434","0.0008","11.2483","0.0004","90","","90.394","0.001","90","","2669.49","0.17","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H38 B11 Cl N4 -","- C18 H38 B11 Cl N4 -","- C72 H152 B44 Cl4 N16 -","4","1","","Zhang, Kang; Feng, Luting; Jin, Yujie; Liu, Jiyong; Duttwyler, Simon","A σ,π-type monocarborane copper acetylide for regioselective 1,4-disubstituted 1,2,3-triazoles.","Chemical communications (Cambridge, England)","2025","61","20","4026","4029","10.1039/d5cc00077g","","x-ray","1.34139","GaKα","","0.0489","0.0449","","","0.1187","0.1217","","","","","","1.075","","","","has coordinates","298777","2025-04-05","02:12:04",""
"7134234","9.5157","0.0005","9.7021","0.0005","11.1463","0.0007","98.202","0.005","100.953","0.005","94.096","0.004","994.82","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O5 S -","- C23 H23 N O5 S -","- C46 H46 N2 O10 S2 -","2","1","","Griggs, Samuel D.; Piticari, Amalia-Sofia; Liver, Samuel; Arter, Chris; Sievers, Sonja; Marsden, Stephen P.; Nelson, Adam","Phenotype-directed discovery of diverse, biologically-relevant molecular scaffolds.","Chemical communications (Cambridge, England)","2025","61","17","3528","3531","10.1039/d4cc06605g","","x-ray","1.54184","CuKα","","0.0522","0.0408","","","0.1012","0.1086","","","","","","1.028","","","","has coordinates","298014","2025-03-04","18:20:40",""
"7134235","13.806","0.0004","8.8682","0.0003","18.6122","0.0005","90","","108.601","0.003","90","","2159.74","0.12","120.01","0.18","120.01","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","1","","Griggs, Samuel D.; Piticari, Amalia-Sofia; Liver, Samuel; Arter, Chris; Sievers, Sonja; Marsden, Stephen P.; Nelson, Adam","Phenotype-directed discovery of diverse, biologically-relevant molecular scaffolds.","Chemical communications (Cambridge, England)","2025","61","17","3528","3531","10.1039/d4cc06605g","","x-ray","1.54184","CuKα","","0.0689","0.0501","","","0.1183","0.1295","","","","","","1.026","","","","has coordinates","298014","2025-03-04","18:20:40",""
"7134236","9.502","0.0007","10.1598","0.0008","12.2054","0.0009","66.075","0.007","69.398","0.007","75.945","0.007","1001.24","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O5 S -","- C23 H23 N O5 S -","- C46 H46 N2 O10 S2 -","2","1","","Griggs, Samuel D.; Piticari, Amalia-Sofia; Liver, Samuel; Arter, Chris; Sievers, Sonja; Marsden, Stephen P.; Nelson, Adam","Phenotype-directed discovery of diverse, biologically-relevant molecular scaffolds.","Chemical communications (Cambridge, England)","2025","61","17","3528","3531","10.1039/d4cc06605g","","x-ray","1.54184","CuKα","","0.0561","0.0451","","","0.1155","0.1265","","","","","","1.056","","","","has coordinates","298014","2025-03-04","18:20:40",""
"7134237","10.6564","0.0002","10.7517","0.0002","20.7177","0.0005","88.332","0.002","80.801","0.002","84.137","0.002","2330.74","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H152 Al2 B2 N2 P2 -","- C101 H152 Al2 B2 N2 P2 -","- C101 H152 Al2 B2 N2 P2 -","1","0.5","","Wellnitz, Tim; Wüst, Leonie; Braunschweig, Holger; Hering-Junghans, Christian","A BNAlP-heterocycle.","Chemical communications (Cambridge, England)","2025","61","20","4014","4017","10.1039/d5cc00308c","","x-ray","1.54184","CuKα","K-L~2,3~","0.0399","0.036","","","0.0964","0.0989","","","","","","1.051","","","","has coordinates,has disorder","298770","2025-04-05","02:09:46",""
"7134238","10.1884","0.0001","13.0766","0.0001","21.5233","0.0002","73.285","0.001","82.107","0.001","75.427","0.001","2651.49","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H80 Al B N P -","- C58 H80 Al B N P -","- C116 H160 Al2 B2 N2 P2 -","2","1","","Wellnitz, Tim; Wüst, Leonie; Braunschweig, Holger; Hering-Junghans, Christian","A BNAlP-heterocycle.","Chemical communications (Cambridge, England)","2025","61","20","4014","4017","10.1039/d5cc00308c","","x-ray","1.54184","CuKα","K-L~2,3~","0.0705","0.0616","","","0.1646","0.1711","","","","","","1.056","","","","has coordinates,has disorder","298770","2025-04-05","02:09:46",""
"7134239","12.62854","0.00013","16.37572","0.00014","16.40523","0.00016","64.5271","0.0009","81.4188","0.0008","85.6856","0.0008","3028.3","0.06","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H102 Al B N P -","- C66 H102 Al B N P -","- C132 H204 Al2 B2 N2 P2 -","2","1","","Wellnitz, Tim; Wüst, Leonie; Braunschweig, Holger; Hering-Junghans, Christian","A BNAlP-heterocycle.","Chemical communications (Cambridge, England)","2025","61","20","4014","4017","10.1039/d5cc00308c","","x-ray","1.54184","CuKα","","0.0371","0.0351","","","0.0921","0.0935","","","","","","1.0521","","","","has coordinates,has disorder","298770","2025-04-05","02:09:46",""
"7134240","5.0076","0.0001","9.6663","0.0002","25.6388","0.0004","90","","92.792","0.001","90","","1239.57","0.04","169.99","0.1","169.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 F4 -","- C36 H20 F4 -","- C72 H40 F8 -","2","0.5","","Shu, Yilin; Huang, Jianmin; Yang, Junfang; Shangguan, Zhichun; Ma, Junlong; Li, Cheng; Zhang, Guanxin; Peng, Qian; Zhang, Xi-Sha; Fan, Qitang; Wang, Bing; Zhang, Deqing","Heptene end-capped Thiele hydrocarbons with tunable configuration and emission and on-surface transformation <i>via</i> annulation.","Chemical communications (Cambridge, England)","2025","61","20","3994","3997","10.1039/d5cc00053j","","x-ray","1.54184","CuKα","","0.0417","0.0386","","","0.0972","0.099","","","","","","1.067","","","","has coordinates","298774","2025-04-05","02:11:16",""
"7134241","27.2651","0.0019","5.2855","0.0002","20.7563","0.001","90","","117.617","0.006","90","","2650.4","0.3","170","0.1","170","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H20 Cl2 F2 -","- C36 H20 Cl2 F2 -","- C144 H80 Cl8 F8 -","4","0.5","","Shu, Yilin; Huang, Jianmin; Yang, Junfang; Shangguan, Zhichun; Ma, Junlong; Li, Cheng; Zhang, Guanxin; Peng, Qian; Zhang, Xi-Sha; Fan, Qitang; Wang, Bing; Zhang, Deqing","Heptene end-capped Thiele hydrocarbons with tunable configuration and emission and on-surface transformation <i>via</i> annulation.","Chemical communications (Cambridge, England)","2025","61","20","3994","3997","10.1039/d5cc00053j","","x-ray","0.71073","MoKα","","0.0628","0.0472","","","0.1144","0.1222","","","","","","1.042","","","","has coordinates,has disorder","298774","2025-04-05","02:11:16",""
"7134242","27.271","0.002","5.2838","0.0003","20.6495","0.0013","90","","117.193","0.006","90","","2646.6","0.3","170.01","0.1","170.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H20 Cl2 F2 -","- C36 H20 Cl2 F2 -","- C144 H80 Cl8 F8 -","4","0.5","","Shu, Yilin; Huang, Jianmin; Yang, Junfang; Shangguan, Zhichun; Ma, Junlong; Li, Cheng; Zhang, Guanxin; Peng, Qian; Zhang, Xi-Sha; Fan, Qitang; Wang, Bing; Zhang, Deqing","Heptene end-capped Thiele hydrocarbons with tunable configuration and emission and on-surface transformation <i>via</i> annulation.","Chemical communications (Cambridge, England)","2025","61","20","3994","3997","10.1039/d5cc00053j","","x-ray","0.71073","MoKα","","0.059","0.0452","","","0.1094","0.1148","","","","","","1.052","","","","has coordinates,has disorder","298774","2025-04-05","02:11:16",""
"7134243","21.3528","0.0006","5.3799","0.0001","25.3593","0.0008","90","","109.492","0.003","90","","2746.21","0.14","170.01","0.1","170.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C36 H20 Br2 F2 -","- C36 H20 Br2 F2 -","- C144 H80 Br8 F8 -","4","0.5","","Shu, Yilin; Huang, Jianmin; Yang, Junfang; Shangguan, Zhichun; Ma, Junlong; Li, Cheng; Zhang, Guanxin; Peng, Qian; Zhang, Xi-Sha; Fan, Qitang; Wang, Bing; Zhang, Deqing","Heptene end-capped Thiele hydrocarbons with tunable configuration and emission and on-surface transformation <i>via</i> annulation.","Chemical communications (Cambridge, England)","2025","61","20","3994","3997","10.1039/d5cc00053j","","x-ray","1.54184","CuKα","","0.0576","0.0441","","","0.1135","0.1236","","","","","","1.061","","","","has coordinates,has disorder","298774","2025-04-05","02:11:16",""
"7134244","27.762","0.0005","4.8707","0.0001","19.2419","0.0003","90","","108.206","0.002","90","","2471.64","0.08","169.99","0.1","169.99","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H20 F4 -","- C36 H20 F4 -","- C144 H80 F16 -","4","0.5","","Shu, Yilin; Huang, Jianmin; Yang, Junfang; Shangguan, Zhichun; Ma, Junlong; Li, Cheng; Zhang, Guanxin; Peng, Qian; Zhang, Xi-Sha; Fan, Qitang; Wang, Bing; Zhang, Deqing","Heptene end-capped Thiele hydrocarbons with tunable configuration and emission and on-surface transformation <i>via</i> annulation.","Chemical communications (Cambridge, England)","2025","61","20","3994","3997","10.1039/d5cc00053j","","x-ray","1.54184","CuKα","","0.052","0.0493","","","0.1301","0.1322","","","","","","1.085","","","","has coordinates","298774","2025-04-05","02:11:16",""
"7134245","8.7937","0.0003","11.0552","0.0005","14.1737","0.0006","81.594","0.004","80.336","0.003","81.165","0.003","1331.95","0.1","170","0.1","170","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H20 Br2 F2 -","- C36 H20 Br2 F2 -","- C72 H40 Br4 F4 -","2","1","","Shu, Yilin; Huang, Jianmin; Yang, Junfang; Shangguan, Zhichun; Ma, Junlong; Li, Cheng; Zhang, Guanxin; Peng, Qian; Zhang, Xi-Sha; Fan, Qitang; Wang, Bing; Zhang, Deqing","Heptene end-capped Thiele hydrocarbons with tunable configuration and emission and on-surface transformation <i>via</i> annulation.","Chemical communications (Cambridge, England)","2025","61","20","3994","3997","10.1039/d5cc00053j","","x-ray","0.71073","MoKα","","0.044","0.0315","","","0.0622","0.0651","","","","","","1.037","","","","has coordinates,has disorder","298774","2025-04-05","02:11:16",""
"7134246","9.2666","0.0003","10.944","0.0003","13.7572","0.0004","72.986","0.002","78.424","0.003","66.751","0.003","1220","0.07","169.99","0.1","169.99","0.1","","","","","","","","2","P -1","-P 1","2","","","","- C36 H24 -","- C36 H24 -","- C72 H48 -","2","1","","Shu, Yilin; Huang, Jianmin; Yang, Junfang; Shangguan, Zhichun; Ma, Junlong; Li, Cheng; Zhang, Guanxin; Peng, Qian; Zhang, Xi-Sha; Fan, Qitang; Wang, Bing; Zhang, Deqing","Heptene end-capped Thiele hydrocarbons with tunable configuration and emission and on-surface transformation <i>via</i> annulation.","Chemical communications (Cambridge, England)","2025","61","20","3994","3997","10.1039/d5cc00053j","","x-ray","1.54184","CuKα","","0.0462","0.0402","","","0.1043","0.1085","","","","","","1.073","","","","has coordinates","298774","2025-04-05","02:11:16",""
"7134247","13.8167","0.0005","16.0738","0.0006","32.1757","0.0012","102.88","0.0019","95.113","0.002","95.376","0.002","6890.7","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H166 N16 O71 S8 -","- C98 H165.998 N16 O70.999 S8 -","- C196 H331.996 N32 O141.998 S16 -","2","1","","Li, Shu-Hui; Cao, Li-Hui; Zhang, Wenmin; Bai, Xiang-Tian; Chen, Xu-Yong","Multi-hydrophilic groups synergistic assembly ionic HOFs with multiple-water clusters and superprotonic single-crystal conductivity.","Chemical communications (Cambridge, England)","2025","61","20","4034","4037","10.1039/d4cc06654e","","x-ray","1.54178","CuKα","","0.0947","0.0809","","","0.219","0.2404","","","","","","1.04","","","","has coordinates,has disorder","298779","2025-04-05","02:12:49",""
"7134248","15.89692","0.00019","24.3336","0.0003","31.3004","0.0004","82.4312","0.0011","76.3819","0.0011","78.0115","0.0011","11467.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","iHOF","","- C144 H258 N28 O112 S12 -","- C144 H258 N28 O112 S12 -","- C288 H516 N56 O224 S24 -","2","1","","Li, Shu-Hui; Cao, Li-Hui; Zhang, Wenmin; Bai, Xiang-Tian; Chen, Xu-Yong","Multi-hydrophilic groups synergistic assembly ionic HOFs with multiple-water clusters and superprotonic single-crystal conductivity.","Chemical communications (Cambridge, England)","2025","61","20","4034","4037","10.1039/d4cc06654e","","x-ray","1.54184","CuKα","","0.209","0.1938","","","0.5088","0.5198","","","","","","2.32","","","","has coordinates","298779","2025-04-05","02:12:49",""
"7134249","17.0434","0.0013","15.2817","0.0012","23.1365","0.0019","90","","101.53","0.005","90","","5904.3","0.8","150","2","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H20 B F7 N6 Sb -","- C31 H20.03 B F7 N6 Sb -","- C248 H160.24 B8 F56 N48 Sb8 -","8","1","","Zhou, Wen; McKearney, Declan; Okada, Yusuke; Kobayashi, Nagao; Leznoff, Daniel B.","Isolating the ring-redox states of boron sub-phthalocyanines.","Chemical communications (Cambridge, England)","2025","61","19","3832","3835","10.1039/d4cc06727d","","","1.54178","CuKα","","0.2201","0.1999","","","0.4074","0.4146","","","","","","1.196","","","","has coordinates,has disorder","298025","2025-03-04","18:26:42",""
"7134250","10.8237","0.0007","14.3172","0.001","16.0555","0.0012","90","","108.756","0.004","90","","2355.9","0.3","150","2","150.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C30 H18 B F N6 -","- C30 H18 B F N6 -","- C120 H72 B4 F4 N24 -","4","1","","Zhou, Wen; McKearney, Declan; Okada, Yusuke; Kobayashi, Nagao; Leznoff, Daniel B.","Isolating the ring-redox states of boron sub-phthalocyanines.","Chemical communications (Cambridge, England)","2025","61","19","3832","3835","10.1039/d4cc06727d","","","1.54178","CuKα","","0.0576","0.0522","","","0.1418","0.1465","","","","","","1.049","","","","has coordinates","298025","2025-03-04","18:26:54",""
"7134251","23.995","0.002","15.571","0.0012","26.2282","0.0018","90","","107.704","0.007","90","","9335.4","1.3","150","2","150.15","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C263 H255 Ag4 B8 F80 N48 O32 Sb12 -","- C263 H255 Ag4 B8 F80 N48 O32 Sb12 -","- C263 H255 Ag4 B8 F80 N48 O32 Sb12 -","1","0.125","","Zhou, Wen; McKearney, Declan; Okada, Yusuke; Kobayashi, Nagao; Leznoff, Daniel B.","Isolating the ring-redox states of boron sub-phthalocyanines.","Chemical communications (Cambridge, England)","2025","61","19","3832","3835","10.1039/d4cc06727d","","","1.54178","CuKα","","0.0916","0.0891","","","0.254","0.2577","","","","","","1.062","","","","has coordinates,has disorder","298025","2025-03-04","18:26:56",""
"7134252","27.0235","0.0007","27.0235","0.0007","21.5015","0.0013","90","","90","","120","","13598.2","1","150.03","","150.03","","","","","","","","","6","P 3","P 3","143","","","","- C527 H294 B18 K18 N108 O45 -","- C527 H294 B18 K18 N108 O45 -","- C527 H294 B18 K18 N108 O45 -","1","0.333333","","Zhou, Wen; McKearney, Declan; Okada, Yusuke; Kobayashi, Nagao; Leznoff, Daniel B.","Isolating the ring-redox states of boron sub-phthalocyanines.","Chemical communications (Cambridge, England)","2025","61","19","3832","3835","10.1039/d4cc06727d","","","1.54178","CuKα","","0.25","0.1432","","","0.3614","0.4416","","","","","","1.27","","","","has coordinates,has disorder","298025","2025-03-04","18:27:06",""
"7134253","23.1107","0.0002","23.1107","0.0002","18.0067","0.0004","90","","90","","90","","9617.5","0.2","193","","193","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","SUM-23A","","- C48 H44 Cu10 N16 O22 -","- C48 H44 Cu10 N16 O22 -","- C192 H176 Cu40 N64 O88 -","4","0.25","","Xiong, Li; Tang, Wenlei; Xiong, Chaozhi; Du, Jiajun; Zhang, Zhiyuan; Qiu, Yuqing; Shao, Zhen-Wu; Zhou, Xuemei; Liu, Chong","Construction of robust Cu-MOFs from bifunctional pyridine-hydroxamate linkers for photocatalytic CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2025","61","20","4030","4033","10.1039/d4cc06778a","","","1.54178","CuKα","","0.0351","0.0338","","","0.0922","0.093","","","","","","1.098","","","","has coordinates,has disorder","298772","2025-04-05","02:10:28",""
"7134254","11.5203","0.0004","15.0467","0.0005","4.4357","0.0002","90","","90","","90","","768.9","0.05","223","","223","","","","","","","","","5","P n a 21","P 2c -2n","33","","SUM-33","","- C6 H4 Cu N2 O2 -","- C6 H4 Cu N2 O2 -","- C24 H16 Cu4 N8 O8 -","4","1","","Xiong, Li; Tang, Wenlei; Xiong, Chaozhi; Du, Jiajun; Zhang, Zhiyuan; Qiu, Yuqing; Shao, Zhen-Wu; Zhou, Xuemei; Liu, Chong","Construction of robust Cu-MOFs from bifunctional pyridine-hydroxamate linkers for photocatalytic CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2025","61","20","4030","4033","10.1039/d4cc06778a","","x-ray","0.71073","MoKα","","0.0228","0.0209","","","0.0557","0.0568","","","","","","1.126","","","","has coordinates","298772","2025-04-05","02:10:34",""
"7134255","23.9056","0.0008","23.9056","0.0008","14.4066","0.001","90","","90","","90","","8233.1","0.7","193","","193","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","SUM-23B","","- C24 H16 Cu5 N8 O8 -","- C24 H16 Cu5 N8 O8 -","- C192 H128 Cu40 N64 O64 -","8","0.5","","Xiong, Li; Tang, Wenlei; Xiong, Chaozhi; Du, Jiajun; Zhang, Zhiyuan; Qiu, Yuqing; Shao, Zhen-Wu; Zhou, Xuemei; Liu, Chong","Construction of robust Cu-MOFs from bifunctional pyridine-hydroxamate linkers for photocatalytic CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2025","61","20","4030","4033","10.1039/d4cc06778a","","","1.34139","GaKα","","0.1483","0.0803","","","0.2011","0.2425","","","","","","0.991","","","","has coordinates","298772","2025-04-05","02:10:44",""
"7134256","10.0296","0.0003","12.2752","0.0003","22.7212","0.0006","80.179","0.002","80.228","0.002","67.613","0.003","2531.69","0.13","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C56.5 H49 F3 O4 P2 S2 -","- C56.5 H49 F3 O4 P2 S2 -","- C113 H98 F6 O8 P4 S4 -","2","1","","Zafar, Mohammad; Shamali, Donia; Barel, Nitsan; Danovich, David; Tulchinsky, Yuri","Bicyclic sulfonium pincer ligand with a thiatriptycenium backbone-synthesis and applications in π-acid catalysis.","Chemical communications (Cambridge, England)","2025","61","23","4559","4562","10.1039/d5cc00310e","","x-ray","0.71073","MoKα","","0.0657","0.0472","","","0.124","0.1322","","","","","","1.038","","","","has coordinates,has disorder","298781","2025-04-05","02:13:54",""
"7134257","8.402","0.003","8.472","0.003","9.245","0.004","109.344","0.011","101.143","0.011","100.258","0.011","588","0.4","298","2","298","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C26 H28 O6 -","2","1","","Bhattacharyya, Hemanga; Saha, Sharajit; Verma, Kshitiz; Punniyamurthy, Tharmalingam","Palladium-catalyzed substrate-switchable C-H alkenylation and alkylation of benzoic acids using MBH alcohols.","Chemical communications (Cambridge, England)","2025","61","21","4200","4203","10.1039/d4cc06691j","","","0.71073","MoKα","","0.0734","0.0548","","","0.1271","0.1416","","","","","","1.087","","","","has coordinates","298784","2025-04-05","02:17:57",""
"7134258","6.5268","0.0004","8.42","0.0005","12.0682","0.0008","90","","102.487","0.007","90","","647.53","0.07","107","2","107","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C2 H7 F14 N3 O2 Sb2 -","- C2 H7 F14 N3 O2 Sb2 -","- C4 H14 F28 N6 O4 Sb4 -","2","1","","Nitzer, Alexander; Jessen, Christoph; Kornath, Andreas J.","Charge distribution and aromaticity in protonated urazole.","Chemical communications (Cambridge, England)","2025","61","22","4367","4370","10.1039/d5cc00218d","","","0.71073","MoKα","","0.041","0.0288","","","0.0515","0.0568","","","","","","1.044","","","","has coordinates","298751","2025-04-05","02:02:49",""
"7134259","9.4694","0.0007","11.68","0.0007","21.1896","0.0011","90","","90","","90","","2343.6","0.3","108","2","108","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C2 H5 As2 F12 N3 O2 -","- C2 H5 As2 F12 N3 O2 -","- C16 H40 As16 F96 N24 O16 -","8","1","","Nitzer, Alexander; Jessen, Christoph; Kornath, Andreas J.","Charge distribution and aromaticity in protonated urazole.","Chemical communications (Cambridge, England)","2025","61","22","4367","4370","10.1039/d5cc00218d","","","0.71073","MoKα","","0.0489","0.0328","","","0.067","0.0735","","","","","","1.096","","","","has coordinates","298751","2025-04-05","02:02:49",""
"7134260","7.8994","0.001","18.299","0.003","8.1991","0.0011","90","","114.751","0.016","90","","1076.3","0.3","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H5 F10 Ge2 N3 O2 -","- C2 H5 F10 Ge2 N3 O2 -","- C8 H20 F40 Ge8 N12 O8 -","4","1","","Nitzer, Alexander; Jessen, Christoph; Kornath, Andreas J.","Charge distribution and aromaticity in protonated urazole.","Chemical communications (Cambridge, England)","2025","61","22","4367","4370","10.1039/d5cc00218d","","","0.71073","MoKα","","0.064","0.0471","","","0.106","0.1183","","","","","","1.03","","","","has coordinates","298751","2025-04-05","02:02:49",""
"7134261","10.5271","0.0009","8.3036","0.0004","10.5808","0.0009","90","","118.384","0.011","90","","813.71","0.14","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 F6 N3 O2 Sb -","- C2 H4 F6 N3 O2 Sb -","- C8 H16 F24 N12 O8 Sb4 -","4","1","","Nitzer, Alexander; Jessen, Christoph; Kornath, Andreas J.","Charge distribution and aromaticity in protonated urazole.","Chemical communications (Cambridge, England)","2025","61","22","4367","4370","10.1039/d5cc00218d","","","0.71073","MoKα","","0.0295","0.0233","","","0.0487","0.0515","","","","","","1.043","","","","has coordinates","298751","2025-04-05","02:02:49",""
"7134262","16.4292","0.0004","7.6601","0.0002","22.9023","0.0006","90","","90","","90","","2882.24","0.13","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-(4-methoxypgenyl)pyridoxine[2,1-alpha]isoindole","","- C19 H15 N O -","- C19 H15 N O -","- C152 H120 N8 O8 -","8","1","","Wong, Karina S.; Ghanbari, Mohammad; Arndtsen, Bruce A.","Design of a modular, palladium-catalyzed carbonylative synthesis of pyrido[2,1-α]isoindoles <i>via</i> benzyne 1,3-dipolar cycloaddition.","Chemical communications (Cambridge, England)","2025","61","21","4192","4195","10.1039/d4cc06483f","","","1.54178","CuKα","","0.0836","0.0509","","","0.129","0.173","","","","","","1.102","","","","has coordinates,has disorder","298783","2025-04-05","02:17:47",""
"7134263","6.7527","0.0005","8.6037","0.0009","9.204","0.0008","90","","98.41","0.009","90","","528.99","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C3.5 H5 Br Cu0.5 N -","- C3.5 H5 Br Cu0.5 N -","- C14 H20 Br4 Cu2 N4 -","4","1","","Yang, Chuanyao; Zheng, Jia; Xu, Chang; Xiao, Chong; Chang, Yuanyuan; Zhou, Lei; Gong, Xiangnan","Unveiling the photophysical mechanisms in low-dimensional Zn/Cu-based metal halides.","Chemical communications (Cambridge, England)","2025","61","22","4379","4382","10.1039/d4cc06675h","","x-ray","0.71073","MoKα","","0.074","0.0537","","","0.1342","0.151","","","","","","1.041","","","","has coordinates,has disorder","298752","2025-04-05","02:03:03",""
"7134264","7.0944","0.0003","12.2277","0.0004","18.1167","0.0007","90","","92.812","0.004","90","","1569.7","0.1","200","0.1","200","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Br N2 Zn0.5 -","- C6 H8 Br N2 Zn0.5 -","- C48 H64 Br8 N16 Zn4 -","8","1","","Yang, Chuanyao; Zheng, Jia; Xu, Chang; Xiao, Chong; Chang, Yuanyuan; Zhou, Lei; Gong, Xiangnan","Unveiling the photophysical mechanisms in low-dimensional Zn/Cu-based metal halides.","Chemical communications (Cambridge, England)","2025","61","22","4379","4382","10.1039/d4cc06675h","","x-ray","0.71073","MoKα","","0.0688","0.0506","","","0.1209","0.1367","","","","","","1.031","","","","has coordinates","298752","2025-04-05","02:03:03",""
"7134265","12.1015","0.0002","12.1074","0.0002","12.1083","0.0002","79.338","0.001","64.387","0.002","79.372","0.001","1561.17","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 Cl2 O4 -","- C36 H32 Cl2 O4 -","- C72 H64 Cl4 O8 -","2","1","","Lv, Jiaoyue; Lang, Yatao; Li, Chao-Jun; Zeng, Huiying","Visible-light-induced synthesis of bibenzofuranones <i>via</i> a cerium-mediated energy transfer process.","Chemical communications (Cambridge, England)","2025","61","20","4054","4057","10.1039/d4cc06761d","","x-ray","1.54184","CuKα","","0.0547","0.0425","","","0.1183","0.1262","","","","","","1.063","","","","has coordinates","298775","2025-04-05","02:11:27",""
"7134266","26.7344","0.0002","33.5536","0.0003","43.8428","0.0004","90","","90","","90","","39328.5","0.6","113","","113","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C32 H96 Ag4 Si16 -","- C32 H96 Ag4 Si16 -","- C768 H2304 Ag96 Si384 -","24","0.75","","Ishii, Reon; Wada, Yoshimasa; Sunada, Yusuke","Silyl- and germyl-bridged neutral square-planar Ag<sub>4</sub> clusters with short Ag-Ag distances exhibiting red emission.","Chemical communications (Cambridge, England)","2025","61","22","4391","4394","10.1039/d4cc06105e","","","0.71075","MoKα","","0.0345","0.0268","","","0.0618","0.0649","","","","","","1.043","","","","has coordinates","298754","2025-04-05","02:03:47",""
"7134267","26.89331","0.00019","33.7727","0.0002","43.981","0.0003","90","","90","","90","","39946.2","0.5","113","","113","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C32 H96 Ag4 Ge4 Si12 -","- C32 H96 Ag4 Ge4 Si12 -","- C768 H2304 Ag96 Ge96 Si288 -","24","0.75","","Ishii, Reon; Wada, Yoshimasa; Sunada, Yusuke","Silyl- and germyl-bridged neutral square-planar Ag<sub>4</sub> clusters with short Ag-Ag distances exhibiting red emission.","Chemical communications (Cambridge, England)","2025","61","22","4391","4394","10.1039/d4cc06105e","","","0.71075","MoKα","","0.0369","0.0256","","","0.0542","0.0577","","","","","","1.03","","","","has coordinates","298754","2025-04-05","02:03:48",""
"7134268","8.5751","0.0004","15.3208","0.0007","20.3759","0.001","90","","90","","90","","2676.9","0.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O3 S2 Se -","- C29 H24 N2 O3 S2 Se -","- C116 H96 N8 O12 S8 Se4 -","4","1","","Shi, Tongtong; Tian, Miao; Sun, Zongfei; Zou, Ruixiao; Zhang, Zexuan; Xie, Na; Hao, Erjun; Xu, Xinming; Sun, Kai","Photochemical aerobic sulfonylation-cyclization-selenylation to indole-fused medium-sized N-heterocycles in 2-Me-THF.","Chemical communications (Cambridge, England)","2025","61","20","4066","4069","10.1039/d4cc06686c","","","0.71073","MoKα","","0.0928","0.0757","","","0.2245","0.2428","","","","","","1.045","","","","has coordinates","298773","2025-04-05","02:10:54",""
"7134269","9.6588","0.0004","13.5399","0.0005","14.1363","0.0005","90","","90","","90","","1848.73","0.12","298","2","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C92 H68 N12 O4 -","4","1","","Valvi, Mangesh Biramya; Badhani, Gaurav; More, Karan Prakash; Adimurthy, Subbarayappa","Brønsted acid-mediated mono- and di-substitution of quinoxalines with indoles: a pathway to indolocarbazole-quinoxaline scaffolds.","Chemical communications (Cambridge, England)","2025","61","24","4698","4701","10.1039/d4cc06606e","","","0.71073","MoKα","","0.0919","0.0447","","","0.1004","0.1301","","","","","","1.071","","","","has coordinates","298749","2025-04-05","02:02:00",""
"7134270","9.2942","0.0008","10.902","0.0008","11.0378","0.0009","62.717","0.003","71.571","0.004","89.138","0.003","931.76","0.14","298","2","298","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C48 H40 N8 -","2","1","","Valvi, Mangesh Biramya; Badhani, Gaurav; More, Karan Prakash; Adimurthy, Subbarayappa","Brønsted acid-mediated mono- and di-substitution of quinoxalines with indoles: a pathway to indolocarbazole-quinoxaline scaffolds.","Chemical communications (Cambridge, England)","2025","61","24","4698","4701","10.1039/d4cc06606e","","","0.71073","MoKα","","0.0831","0.0512","","","0.1322","0.162","","","","","","1.086","","","","has coordinates","298749","2025-04-05","02:02:00",""
"7134271","7.78987","0.00017","5.88492","0.00015","13.8221","0.0003","90","","101.509","0.002","90","","620.9","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H10 Br F3 -","- C14 H10 Br F3 -","- C28 H20 Br2 F6 -","2","1","","Liu, Lidong; Guo, Yawen; Shi, Lin; Wang, Yihan; Lei, Xingyu; Jiao, Peng","Building trisubstituted ethylenes from terminal alkenes <i>via</i> debrominative ring-opening trifluoromethylations of geminal dibromocyclopropanes.","Chemical communications (Cambridge, England)","2025","61","27","5170","5173","10.1039/d5cc00479a","","","1.54184","CuKα","","0.0627","0.0618","","","0.1723","0.1738","","","","","","1.131","","","","has coordinates","298758","2025-04-05","02:05:22",""
"7134272","5.6746","0.001","17.715","0.0018","25.651","0.002","90","","90","","90","","2578.6","0.6","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H13 F3 -","- C16 H13 F3 -","- C128 H104 F24 -","8","1","","Liu, Lidong; Guo, Yawen; Shi, Lin; Wang, Yihan; Lei, Xingyu; Jiao, Peng","Building trisubstituted ethylenes from terminal alkenes <i>via</i> debrominative ring-opening trifluoromethylations of geminal dibromocyclopropanes.","Chemical communications (Cambridge, England)","2025","61","27","5170","5173","10.1039/d5cc00479a","","","1.54184","CuKα","","0.0615","0.0533","","","0.1338","0.1416","","","","","","1.081","","","","has coordinates","298758","2025-04-05","02:05:23",""
"7134273","9.4692","0.0003","9.0363","0.0002","10.229","0.0003","90","","108.996","0.003","90","","827.59","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 F3 N O2 S -","- C5 H8 F3 N O2 S -","- C20 H32 F12 N4 O8 S4 -","4","1","","Liu, Lidong; Guo, Yawen; Shi, Lin; Wang, Yihan; Lei, Xingyu; Jiao, Peng","Building trisubstituted ethylenes from terminal alkenes <i>via</i> debrominative ring-opening trifluoromethylations of geminal dibromocyclopropanes.","Chemical communications (Cambridge, England)","2025","61","27","5170","5173","10.1039/d5cc00479a","","","0.71073","MoKα","","0.0394","0.0342","","","0.0884","0.0913","","","","","","1.146","","","","has coordinates","298758","2025-04-05","02:05:23",""
"7134274","7.7801","0.0016","12.75","0.003","21.284","0.006","74.037","0.009","80.782","0.009","86.993","0.007","2003.6","0.8","298","","298","","","","","","","","","2","P -1","-P 1","2","","","","- C58 H42 -","- C58 H42 -","- C116 H84 -","2","1","","Maurya, Neha; Jana, Palash; Sharma, Himanshu; Bandyopadhyay, Subhajit; Das, Soumyajit","5,5'-Biindeno[2,1-<i>c</i>]fluorene: importance of C5-C5' linkage for an indeno[2,1-<i>c</i>]fluorene dimer exhibiting an open-shell ground state.","Chemical communications (Cambridge, England)","2025","61","25","4808","4811","10.1039/d4cc06643j","","x-ray","0.71073","MoKα","","0.0694","0.0563","","","0.1426","0.1516","","","","","","1.046","","","","has coordinates","298765","2025-04-05","02:07:33",""
"7134275","15.2633","0.0005","16.5145","0.0006","17.4282","0.0006","90","","90.1","0.005","90","","4393","0.3","170","","170","","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C76 H96 Cl N7 O28 S6 -","- C76 H96 Cl N7 O28 S6 -","- C152 H192 Cl2 N14 O56 S12 -","2","1","","Ma, Yifan; Song, Zihang; Guo, Sidan; Han, Han; Cai, Kang","A sulfone-functionalized molecular triangle as a strong anion receptor driven by anion-π interactions.","Chemical communications (Cambridge, England)","2025","61","23","4531","4534","10.1039/d4cc06077f","","","1.34139","GaKα","","0.1425","0.1043","","","0.2838","0.3174","","","","","","1.156","","","","has coordinates,has disorder","298780","2025-04-05","02:13:31",""
"7134276","14.5385","0.0008","20.395","0.001","17.647","0.001","90","","103.576","0.003","90","","5086.4","0.5","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H66 Cl2 N6 O25 S6 -","- C62 H66 Cl2 N6 O25 S6 -","- C124 H132 Cl4 N12 O50 S12 -","2","1","","Ma, Yifan; Song, Zihang; Guo, Sidan; Han, Han; Cai, Kang","A sulfone-functionalized molecular triangle as a strong anion receptor driven by anion-π interactions.","Chemical communications (Cambridge, England)","2025","61","23","4531","4534","10.1039/d4cc06077f","","","1.34139","GaKα","","0.1006","0.0678","","","0.1824","0.2066","","","","","","1.051","","","","has coordinates","298780","2025-04-05","02:13:42",""
"7134277","19.711","0.004","13.865","0.003","19.089","0.005","90","","106.378","0.008","90","","5005","2","294","","294","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","CBPPN","4,5-bis(4-benzoylphenoxy)-3,6-di(9H-carbazol-9-yl)phthalonitrile","","- C58 H34 N4 O4 -","- C58 H34 N4 O4 -","- C232 H136 N16 O16 -","4","0.5","","Upadhyay, Manoj; Ray, Debdas","Regulation of aggregation-enhanced thermally activated delayed fluorescence in butterfly-shaped donor-acceptor conjugates.","Chemical communications (Cambridge, England)","2025","61","26","5015","5018","10.1039/d5cc00015g","","","0.71073","MoKα","","0.1123","0.0767","","","0.2131","0.2838","","","","","","1.111","","","","has coordinates","298763","2025-04-05","02:06:59",""
"7134278","22.499","0.009","11.6","0.005","21.856","0.011","90","","100.493","0.016","90","","5609","4","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","CDBTPN","3,6-di(9H-carbazol-9-yl)-4,5-bis(4-(dibenzo[b,d]thiophene-2-carbonyl)phenoxy)phthalonitrile","","- C70 H38 N4 O4 S2 -","- C70 H38 N4 O4 S2 -","- C280 H152 N16 O16 S8 -","4","1","","Upadhyay, Manoj; Ray, Debdas","Regulation of aggregation-enhanced thermally activated delayed fluorescence in butterfly-shaped donor-acceptor conjugates.","Chemical communications (Cambridge, England)","2025","61","26","5015","5018","10.1039/d5cc00015g","","","0.71073","MoKα","","0.1364","0.0826","","","0.228","0.3141","","","","","","1.092","","","","has coordinates","298763","2025-04-05","02:06:59",""
"7134279","15.3","0.008","17.905","0.01","12.534","0.007","90","","112.995","0.006","90","","3161","3","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N2 O2 P2 -","- C38 H30 N2 O2 P2 -","- C152 H120 N8 O8 P8 -","4","1","","Xu, Dong-Ping; Huang, Fei; Jin, Li-Zhen; Huang, Meng-Ya; Zhang, Wu","DBU-promoted cascade phosphorylation/cyclization for the synthesis of phosphorylated 3-aminoindoles.","Chemical communications (Cambridge, England)","2025","61","25","4816","4819","10.1039/d5cc00224a","","","0.71073","MoKα","","0.0917","0.0492","","","0.1161","0.1338","","","","","","1.038","","","","has coordinates","298769","2025-04-05","02:09:08",""
"7134280","8.3695","0.0012","10.144","0.002","14.956","0.003","72.992","0.007","78.674","0.006","80.115","0.006","1181.7","0.4","297.15","","297.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N2 O2 P -","- C27 H25 N2 O2 P -","- C54 H50 N4 O4 P2 -","2","1","","Xu, Dong-Ping; Huang, Fei; Jin, Li-Zhen; Huang, Meng-Ya; Zhang, Wu","DBU-promoted cascade phosphorylation/cyclization for the synthesis of phosphorylated 3-aminoindoles.","Chemical communications (Cambridge, England)","2025","61","25","4816","4819","10.1039/d5cc00224a","","","0.71073","MoKα","","0.0853","0.0621","","","0.1422","0.1649","","","","","","1.078","","","","has coordinates","298769","2025-04-05","02:09:08",""
"7134281","11.242","0.0002","18.8746","0.0003","20.485","0.0002","89.5","0.001","76.095","0.001","81.258","0.001","4168.53","0.11","123","0.1","123","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C77 H73 Cu F3 Fe N8 O8 P2 S -","- C77 H73 Cu F3 Fe N8 O8 P2 S -","- C154 H146 Cu2 F6 Fe2 N16 O16 P4 S2 -","2","1","","Huber, Matthias; Kumar, Ajeet; Hauer, Jürgen; Thyrhaug, Erling; Hess, Corinna R.","Photoredox capacity expanded by the Cu site of CuFe-Mabiq","Chemical Communications","2025","61","31","5731","5734","10.1039/D4CC06104G","","x-ray","1.54184","CuKα","","0.0492","0.0444","","","0.1236","0.1263","","","","","","1.082","","","","has coordinates","300493","2025-07-06","13:22:36",""
"7134282","22.2855","0.0004","22.2953","0.0003","40.7937","0.0007","75.732","0.001","84.188","0.001","89.715","0.001","19538.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C327 H450 Cl6 Cu24 N27 O77.25 S24 -","- C261 H296 Cl6 Cu24 N5 O55.25 S24 -","- C522 H592 Cl12 Cu48 N10 O110.5 S48 -","2","1","","Wilson, Lucinda R. B.; Nichol, Gary S.; Dalgarno, Scott J.; Brechin, Euan K.","A [CuII24] truncated octahedron and its [CuII8] building block.","Chemical communications (Cambridge, England)","2025","61","24","4722","4725","10.1039/d5cc00532a","","","1.54178","CuKα","","0.1452","0.1017","","","0.2993","0.3222","","","","","","1.158","","","","has coordinates,has disorder","298750","2025-04-05","02:02:31",""
"7134283","23.499","0.0004","25.0057","0.0005","43.0467","0.0008","90","","90","","90","","25294.6","0.8","200.01","0.1","200.01","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C96 H126 Br5 Cu8 N5 O18 S8 -","- C96 H126 Br5 Cu8 N5 O18 S8 -","- C768 H1008 Br40 Cu64 N40 O144 S64 -","8","1","","Wilson, Lucinda R. B.; Nichol, Gary S.; Dalgarno, Scott J.; Brechin, Euan K.","A [CuII24] truncated octahedron and its [CuII8] building block.","Chemical communications (Cambridge, England)","2025","61","24","4722","4725","10.1039/d5cc00532a","","x-ray","1.54184","CuKα","","0.1188","0.0906","","","0.2358","0.2607","","","","","","1.028","","","","has coordinates,has disorder","298750","2025-04-05","02:02:34",""
"7134284","14.694","0.003","16.305","0.003","9.87","0.002","90","","90","","90","","2364.7","0.8","293","2","293.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C23 H19 B Cl4 F2 N2 -","- C23 H19 B Cl4 F2 N2 -","- C92 H76 B4 Cl16 F8 N8 -","4","0.5","","Lv, Fan; Guo, Xing; Zhu, Shuangshuang; Huang, Sen; Li, Li; Wang, Shaozhen; Jiao, Lijuan; Hao, Erhong","A cascade strategy for vinyl chloride-substituted BODIPYs with tunable photophysical properties.","Chemical communications (Cambridge, England)","2025","61","26","4975","4978","10.1039/d5cc00613a","","","0.71073","MoKα","","0.09","0.0574","","","0.1491","0.168","","","","","","1.062","","","","has coordinates,has disorder","298764","2025-04-05","02:07:14",""
"7134285","16.744","","17.965","","9.147","","90","","90","","90","","2751.47","","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H25 B Cl4 F2 N2 -","- C26 H25 B Cl4 F2 N2 -","- C104 H100 B4 Cl16 F8 N8 -","4","0.5","","Lv, Fan; Guo, Xing; Zhu, Shuangshuang; Huang, Sen; Li, Li; Wang, Shaozhen; Jiao, Lijuan; Hao, Erhong","A cascade strategy for vinyl chloride-substituted BODIPYs with tunable photophysical properties.","Chemical communications (Cambridge, England)","2025","61","26","4975","4978","10.1039/d5cc00613a","","","0.71076","MoKα","","0.1007","0.0875","","","0.2541","0.2792","","","","","","1.036","","","","has coordinates,has disorder","298764","2025-04-05","02:07:14",""
"7134286","13.0025","0.0011","14.8905","0.0012","14.8729","0.0012","90","","92.647","0.002","90","","2876.5","0.4","297","2","297","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Mn N2 O4 -","- C12 H13 Mn N2 O4 -","- C96 H104 Mn8 N16 O32 -","8","1","","Mondal, Avijit; Phukan, Hirak Jyoti; Mohar, Kailash; Pal, Debjyoti; Sharma, Rahul; Purkayastha, Siddhartha; Guha, Ankur Kanti; Srimani, Dipankar","Designing a NNO-manganese complex overcoming steric constraints in (de)hydrogenative coupling.","Chemical communications (Cambridge, England)","2025","61","25","4796","4799","10.1039/d5cc00048c","","","0.71073","MoKα","","0.0431","0.0359","","","0.0914","0.0988","","","","","","1.027","","","","has coordinates","298767","2025-04-05","02:08:43",""
"7134287","7.963","0.005","21.994","0.012","8.314","0.005","90","","98.6","0.02","90","","1439.7","1.5","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 Br Mn N2 O4 -","- C11 H12 Br Mn N2 O4 -","- C44 H48 Br4 Mn4 N8 O16 -","4","1","","Mondal, Avijit; Phukan, Hirak Jyoti; Mohar, Kailash; Pal, Debjyoti; Sharma, Rahul; Purkayastha, Siddhartha; Guha, Ankur Kanti; Srimani, Dipankar","Designing a NNO-manganese complex overcoming steric constraints in (de)hydrogenative coupling.","Chemical communications (Cambridge, England)","2025","61","25","4796","4799","10.1039/d5cc00048c","","","0.71073","MoKα","","0.0809","0.0676","","","0.1522","0.163","","","","","","1.03","","","","has coordinates","298767","2025-04-05","02:08:45",""
"7134288","7.3733","0.0005","8.8785","0.0008","12.8155","0.0014","79.837","0.003","75.722","0.002","71.616","0.004","767.09","0.12","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Br Mn N2 O4 -","- C12 H14 Br Mn N2 O4 -","- C24 H28 Br2 Mn2 N4 O8 -","2","1","","Mondal, Avijit; Phukan, Hirak Jyoti; Mohar, Kailash; Pal, Debjyoti; Sharma, Rahul; Purkayastha, Siddhartha; Guha, Ankur Kanti; Srimani, Dipankar","Designing a NNO-manganese complex overcoming steric constraints in (de)hydrogenative coupling.","Chemical communications (Cambridge, England)","2025","61","25","4796","4799","10.1039/d5cc00048c","","","0.71073","MoKα","","0.0508","0.0413","","","0.107","0.113","","","","","","1.051","","","","has coordinates","298767","2025-04-05","02:08:45",""
"7134289","9.1397","0.001","19.8181","0.0019","26.775","0.003","88.264","0.008","88.73","0.008","78.204","0.009","4744.6","0.9","149.99","0.1","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C144 H124 Mn4 N28 O16 -","- C144 H124 Mn4 N28 O16 -","- C144 H124 Mn4 N28 O16 -","1","0.5","","Li, Zhi-Wei; Huang, Anlian; Wang, Zhenguo; Gao, Rui; Lan, Bang; Chen, Guosheng; Ouyang, Gangfeng","Solvent-mediated subcomponent self-assembly of covalent metallacycles for hierarchical porous materials synthesis.","Chemical communications (Cambridge, England)","2025","61","25","4836","4839","10.1039/d5cc00688k","","","1.54184","CuKα","","0.1742","0.0897","","","0.2212","0.2821","","","","","","0.906","","","","has coordinates,has disorder","298768","2025-04-05","02:08:56",""
"7134290","14.7736","0.0003","15.137","0.0003","20.2706","0.0003","99.678","0.001","103.18","0.001","100.588","0.001","4232.79","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47.5 H61 B0.5 Cl0.5 Ge O S0.5 -","- C47.5 H61 B0.5 Cl0.5 Ge O S0.5 -","- C190 H244 B2 Cl2 Ge4 O4 S2 -","4","2","","Kern, Ralf H.; Schmiedel, Paul L.; Schubert, Hartmut; Wesemann, Lars","Heterocycles in reactions with boradigermaallyl.","Chemical communications (Cambridge, England)","2025","61","25","4844","4847","10.1039/d5cc00639b","","","0.71073","MoKα","","0.0674","0.0414","","","0.0907","0.1002","","","","","","1.019","","","","has coordinates,has disorder","298766","2025-04-05","02:08:17",""
"7134291","14.5539","0.0005","14.7287","0.0005","44.0318","0.0014","90","","96.793","0.001","90","","9372.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C97 H118 B Cl Ge2 N2 O -","- C97 H118 B Cl Ge2 N2 O -","- C388 H472 B4 Cl4 Ge8 N8 O4 -","4","1","","Kern, Ralf H.; Schmiedel, Paul L.; Schubert, Hartmut; Wesemann, Lars","Heterocycles in reactions with boradigermaallyl.","Chemical communications (Cambridge, England)","2025","61","25","4844","4847","10.1039/d5cc00639b","","","0.71073","MoKα","","0.0676","0.0491","","","0.1292","0.1376","","","","","","1.039","","","","has coordinates,has disorder","298766","2025-04-05","02:08:21",""
"7134292","22.2383","0.0005","13.1321","0.0003","31.4611","0.0007","90","","93.324","0.001","90","","9172.3","0.4","120","2","120","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C211 H260 B2 Cl2 Ge4 N8 O2 -","- C211 H260 B2 Cl2 Ge4 N8 O2 -","- C422 H520 B4 Cl4 Ge8 N16 O4 -","2","0.5","","Kern, Ralf H.; Schmiedel, Paul L.; Schubert, Hartmut; Wesemann, Lars","Heterocycles in reactions with boradigermaallyl.","Chemical communications (Cambridge, England)","2025","61","25","4844","4847","10.1039/d5cc00639b","","","0.71073","MoKα","","0.0586","0.0388","","","0.0849","0.094","","","","","","1.025","","","","has coordinates,has disorder","298766","2025-04-05","02:08:27",""
"7134293","18.673","0.0004","21.1109","0.0004","23.361","0.0005","106.864","0.001","90.263","0.001","106.295","0.001","8421.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H126 B Cl Ge2 O2 -","- C96 H126 B Cl Ge2 O2 -","- C384 H504 B4 Cl4 Ge8 O8 -","4","2","","Kern, Ralf H.; Schmiedel, Paul L.; Schubert, Hartmut; Wesemann, Lars","Heterocycles in reactions with boradigermaallyl.","Chemical communications (Cambridge, England)","2025","61","25","4844","4847","10.1039/d5cc00639b","","","0.71073","MoKα","","0.0506","0.0379","","","0.094","0.1011","","","","","","1.045","","","","has coordinates,has disorder","298766","2025-04-05","02:08:28",""
"7134294","9.369","0.002","18.222","0.002","24.667","0.003","90","","99.08","0.02","90","","4158.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H55 N7 Si2 -","- C44 H55 N7 Si2 -","- C176 H220 N28 Si8 -","4","1","","Pandey, Madhusudan K.; Hendi, Zohreh; Wang, Xiaobai; Muhammed, Shahila; Kumar, Arun; Singh, Mukesh K.; Herbst-Irmer, Regine; Stalke, Dietmar; Parameswaran, Pattiyil; Roesky, Herbert W.","Synthesis and characterization of triazole-functionalized mixed-valent Si(i)–Si(iii) and bis(germylene) compounds","Chemical Communications","2025","61","30","5581","5584","10.1039/D4CC06247G","","","0.71073","MoKα","","0.0553","0.0422","","","0.0978","0.104","","","","","","1.073","","","","has coordinates","300491","2025-07-06","13:22:03",""
"7134295","10.199","0.002","13.117","0.002","17.906","0.003","106.21","0.02","90.75","0.02","110.7","0.02","2135","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H55 Ge2 N7 -","- C44 H55 Ge2 N7 -","- C88 H110 Ge4 N14 -","2","1","","Pandey, Madhusudan K.; Hendi, Zohreh; Wang, Xiaobai; Muhammed, Shahila; Kumar, Arun; Singh, Mukesh K.; Herbst-Irmer, Regine; Stalke, Dietmar; Parameswaran, Pattiyil; Roesky, Herbert W.","Synthesis and characterization of triazole-functionalized mixed-valent Si(i)–Si(iii) and bis(germylene) compounds","Chemical Communications","2025","61","30","5581","5584","10.1039/D4CC06247G","","","0.71073","MoKα","","0.0588","0.0374","","","0.0756","0.0835","","","","","","1.055","","","","has coordinates","300491","2025-07-06","13:22:03",""
"7134296","19.7765","0.0002","22.8122","0.0002","41.4682","0.0002","77.52","0.001","89.86","0.001","76.37","0.001","17728.5","0.3","120","0.1","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C344 H422 Au40 O0.5 P2 S24 -","- C301.5 H372 Au40 P2 S24 -","- C603 H744 Au80 P4 S48 -","2","1","","Li, Jialing; Wang, Zhewei; Ye, Jiansheng; Li, Qinzhen; Yang, Sha; Chai, Jinsong; Zhu, Manzhou","Diphosphine-induced morphological modification in Au nanoclusters and its implications for catalytic activity regulation.","Chemical communications (Cambridge, England)","2025","61","27","5146","5149","10.1039/d5cc00438a","","","1.54184","CuKα","","0.0967","0.087","","","0.2372","0.245","","","","","","1.031","","","","has coordinates,has disorder","298757","2025-04-05","02:05:10",""
"7134297","15.4584","0.0001","15.9977","0.0001","18.8777","0.0001","90","","90","","90","","4668.43","0.05","169.99","0.1","169.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Br N O -","- C28 H26 Br N O -","- C224 H208 Br8 N8 O8 -","8","2","","Zhao, Yuting; Ji, Xin; Xiao, Yuanjing; Wu, Xingxing; Liu, Lu","Copper-catalyzed chemoselective C-H functionalization/dearomatization sequence: direct access to indole-based spirocyclic scaffolds.","Chemical communications (Cambridge, England)","2025","61","27","5162","5165","10.1039/d5cc00594a","","x-ray","1.54184","CuKα","","0.0236","0.023","","","0.0596","0.06","","","","","","1.042","","","","has coordinates","298756","2025-04-05","02:04:46",""
"7134298","8.9741","0.0002","18.6365","0.0004","11.5094","0.0003","90","","103.833","0.003","90","","1869.07","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Br N O2 -","- C21 H20 Br N O2 -","- C84 H80 Br4 N4 O8 -","4","1","","Thakur, Deepika; Meena, Shivam A.; Sharma, Manvi; Verma, Akhilesh K.","Gold/silver-catalyzed synthesis of functionalized indoles from <i>N</i>-allyl-2-alkynylanilines and α-diazo compounds <i>via</i> 1,3-allyl migration.","Chemical communications (Cambridge, England)","2025","61","28","5313","5316","10.1039/d5cc00461f","","x-ray","0.71073","MoKα","","0.0299","0.025","","","0.0555","0.0568","","","","","","1.044","","","","has coordinates","298745","2025-04-05","02:00:45",""
"7134299","9.0327","0.0005","19.2302","0.0012","11.7338","0.0007","90","","103.989","0.006","90","","1977.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Br F N O2 -","- C21 H19 Br F N O2 -","- C84 H76 Br4 F4 N4 O8 -","4","1","","Thakur, Deepika; Meena, Shivam A.; Sharma, Manvi; Verma, Akhilesh K.","Gold/silver-catalyzed synthesis of functionalized indoles from <i>N</i>-allyl-2-alkynylanilines and α-diazo compounds <i>via</i> 1,3-allyl migration.","Chemical communications (Cambridge, England)","2025","61","28","5313","5316","10.1039/d5cc00461f","","x-ray","0.71073","MoKα","","0.0573","0.0383","","","0.0817","0.0872","","","","","","1.033","","","","has coordinates","298745","2025-04-05","02:00:47",""
"7134300","11.4169","0.0003","8.2709","0.0002","20.4762","0.0005","90","","91.528","0.002","90","","1932.84","0.08","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C100 H92 N4 O8 -","4","1","","Thakur, Deepika; Meena, Shivam A.; Sharma, Manvi; Verma, Akhilesh K.","Gold/silver-catalyzed synthesis of functionalized indoles from <i>N</i>-allyl-2-alkynylanilines and α-diazo compounds <i>via</i> 1,3-allyl migration.","Chemical communications (Cambridge, England)","2025","61","28","5313","5316","10.1039/d5cc00461f","","x-ray","0.71073","MoKα","","0.1162","0.1112","","","0.2973","0.2989","","","","","","1.176","","","","has coordinates","298745","2025-04-05","02:00:47",""
"7134301","9.6229","0.0001","15.1406","0.0001","22.4142","0.0002","90","","90","","90","","3265.67","0.05","123","2","123.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C46 H36 O4 -","- C46 H36 O4 -","- C184 H144 O16 -","4","1","","Yano, Riko; Ito, Suguru","Multi-color luminescent crystals derived from dynamic diastereomers of a perylene-substituted binaphthol derivative.","Chemical communications (Cambridge, England)","2025","61","28","5305","5308","10.1039/d5cc00758e","","","1.54184","CuKα","","0.0381","0.036","","","0.0945","0.0966","","","","","","1.049","","","","has coordinates","298744","2025-04-05","02:00:26",""
"7134302","7.8625","0.0002","10.7582","0.0004","18.321","0.0005","76.6","0.003","89.561","0.002","72.009","0.003","1430.38","0.08","123","2","123.15","","","","","","","","","3","P 1","P 1","1","","","","- C42 H28 O2 -","- C42 H28 O2 -","- C84 H56 O4 -","2","2","","Yano, Riko; Ito, Suguru","Multi-color luminescent crystals derived from dynamic diastereomers of a perylene-substituted binaphthol derivative.","Chemical communications (Cambridge, England)","2025","61","28","5305","5308","10.1039/d5cc00758e","","","1.54184","CuKα","","0.0701","0.0535","","","0.142","0.153","","","","","","1.029","","","","has coordinates","298744","2025-04-05","02:00:26",""
"7134303","7.6602","0.0001","25.9534","0.0003","15.6096","0.0002","90","","95.261","0.001","90","","3090.24","0.07","123","2","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C91 H64 O4 -","- C91 H64 O4 -","- C182 H128 O8 -","2","1","","Yano, Riko; Ito, Suguru","Multi-color luminescent crystals derived from dynamic diastereomers of a perylene-substituted binaphthol derivative.","Chemical communications (Cambridge, England)","2025","61","28","5305","5308","10.1039/d5cc00758e","","","1.54184","CuKα","","0.057","0.0521","","","0.1395","0.1441","","","","","","1.06","","","","has coordinates,has disorder","298744","2025-04-05","02:00:26",""
"7134304","23.396","0.01","6.177","0.003","16.234","0.007","90","","111.845","0.006","90","","2177.6","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 Br F2 N O -","- C11 H8 Br F2 N O -","- C88 H64 Br8 F16 N8 O8 -","8","1","","Cao, Tian-Zheng; Nie, Cai-Jian; Li, Jing; Liu, Ming-Dong; Wang, Zi-Tong; Kong, Yi-Fei; Wang, Xin; Sun, Yuan-Yuan; Li, Jin-Heng; Zhu, Yan-Ping","Photocatalytically switchable chemoselective difluoramidation of olefins for the synthesis of diversified difluoro-γ-lactams.","Chemical communications (Cambridge, England)","2025","61","27","5150","5153","10.1039/d5cc00661a","","","0.71073","MoKα","","0.0683","0.0442","","","0.1047","0.1137","","","","","","1.091","","","","has coordinates","298760","2025-04-05","02:05:50",""
"7134305","5.7878","0.0001","33.2044","0.0006","30.9443","0.0005","90","","89.996","0.002","90","","5946.89","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 O4 S -","- C16 H15.875 O4 S -","- C256 H254 O64 S16 -","16","8","","Wei, Jun; Yi, Zhi-Yuan; Jin, Zhuan; Liu, Yi; Wang, Zuo-Fei; Dong, Xiu-Qin; Wang, Chun-Jiang","Synthesis of chiral β-hydroxy allylic sulfides via iridium-catalyzed asymmetric cascade allylation/acyl transfer rearrangement","Chemical Communications","2025","61","30","5609","5612","10.1039/D5CC00422E","","x-ray","1.54184","CuKα","","0.0753","0.0733","","","0.1874","0.1909","","","","","","1.04","","","","has coordinates","300489","2025-07-06","13:21:24",""
"7134306","14.865","0.002","12.8982","0.0019","9.3217","0.0014","90","","90","","90","","1787.3","0.4","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H13 F3 O -","- C24 H13 F3 O -","- C96 H52 F12 O4 -","4","1","","Zhang, Xu; Ni, Tongtong; Chang, Mengfan; Li, Wenguang; Xu, Xuefeng","Palladium-catalyzed oxidative cycloaddition of 1-indanones and internal aryl alkynes toward benzo[<i>c</i>]fluorenone derivatives.","Chemical communications (Cambridge, England)","2025","61","27","5186","5189","10.1039/d4cc06591c","","","0.71073","MoKα","","0.1106","0.052","","","0.1033","0.1233","","","","","","1.009","","","","has coordinates","298759","2025-04-05","02:05:34",""
"7134307","13.9782","0.0008","12.5557","0.0006","16.6745","0.0008","90","","110.614","0.002","90","","2739.1","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 Br N2 Ru Si -","- C26 H37 Br N2 Ru Si -","- C104 H148 Br4 N8 Ru4 Si4 -","4","1","","Ramachandran, Arya; Bauri, Somnath; Rit, Arnab","Alkene-promoted NHC ligand substitution in orthometalated Ru-NHC complexes <i>via</i> σ-bond metathesis: a mechanistic insight.","Chemical communications (Cambridge, England)","2025","61","26","5011","5014","10.1039/d4cc05886k","","","0.71073","MoKα","","0.0358","0.0255","","","0.0594","0.0631","","","","","","1.027","","","","has coordinates","298761","2025-04-05","02:06:11",""
"7134308","18.433","0.003","14.974","0.002","4.8692","0.0008","90","","90","","90","","1344","0.4","276","2","276","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","1","","Nan, Jiang; Yang, Shuai; Huang, Guanjie; Fan, Liangxin","Radical-mediated chemo-divergent recyclization of 1,2,3,4-benzothiatriazine-1,1-dioxides: alkyl migration and dearomatization.","Chemical communications (Cambridge, England)","2025","61","29","5503","5506","10.1039/d5cc00008d","","","0.71073","MoKα","","0.1263","0.0606","","","0.1118","0.1352","","","","","","1.01","","","","has coordinates","298741","2025-04-05","01:59:29",""
"7134309","15.049","0.003","6.8887","0.0017","11.412","0.003","90","","90","","90","","1183.1","0.5","293.3","","293.3","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H11 N O3 S -","- C13 H11 N O3 S -","- C52 H44 N4 O12 S4 -","4","0.5","","Nan, Jiang; Yang, Shuai; Huang, Guanjie; Fan, Liangxin","Radical-mediated chemo-divergent recyclization of 1,2,3,4-benzothiatriazine-1,1-dioxides: alkyl migration and dearomatization.","Chemical communications (Cambridge, England)","2025","61","29","5503","5506","10.1039/d5cc00008d","","","0.71073","MoKα","","0.0834","0.0528","","","0.1047","0.1202","","","","","","1.124","","","","has coordinates,has disorder","298741","2025-04-05","01:59:30",""
"7134310","9.3937","0.0016","12.665","0.002","14.285","0.003","107.715","0.007","102.575","0.007","96.844","0.006","1548.3","0.5","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","????1","","- C66 H78 N4 O4 S4 -","- C66 H78 N4 O4 S4 -","- C66 H78 N4 O4 S4 -","1","0.5","","Nan, Jiang; Yang, Shuai; Huang, Guanjie; Fan, Liangxin","Radical-mediated chemo-divergent recyclization of 1,2,3,4-benzothiatriazine-1,1-dioxides: alkyl migration and dearomatization.","Chemical communications (Cambridge, England)","2025","61","29","5503","5506","10.1039/d5cc00008d","","","0.71073","MoKα","","0.1646","0.1051","","","0.2784","0.3333","","","","","","1.088","","","","has coordinates","298741","2025-04-05","01:59:30",""
"7134311","17.889","0.002","18.24","0.002","20.214","0.003","90.963","0.011","115.553","0.009","101.147","0.01","5800.8","1.4","200","2","200","2","","","","","","","","3","P -1","-P 1","2","T-Br in manuscript","","","- C48 H16 Br8 -","- C48 H16 Br8 -","- C192 H64 Br32 -","4","2","","Misselwitz, Erik; Spengler, Jonas; Rominger, Frank; Kivala, Milan","Octacyano-substituted tridecacyclene: a non-benzenoid cyanocarbon with low-lying LUMO and multistage redox properties","Chemical Communications","2025","61","31","5754","5757","10.1039/D5CC00672D","","","1.54178","CuKα","","0.1364","0.0923","","","0.2044","0.2349","","","","","","1.052","","","","has coordinates","300494","2025-07-06","13:22:53",""
"7134312","10.584","0.002","13.468","0.003","19.022","0.004","76.198","0.004","85.461","0.004","77.856","0.004","2573.1","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H42 Cl2 F10 -","- C62 H42 Cl2 F10 -","- C124 H84 Cl4 F20 -","2","1","","Jiang, Zhongyao; Liu, Chenglin; Wu, Mingxia; Xu, Erhao; Wu, Xin-Xing","Palladium-catalyzed intermolecular formal [3+2] cyclization/C-H alkylation of polyfluoroarenes.","Chemical communications (Cambridge, England)","2025","61","28","5365","5368","10.1039/d5cc00444f","","","0.71073","MoKα","","0.1137","0.0863","","","0.2317","0.2554","","","","","","1.423","","","","has coordinates","298746","2025-04-05","02:00:57",""
"7134313","9.8139","0.0007","17.3013","0.0011","26.7081","0.0018","90","","98.701","0.006","90","","4482.7","0.5","99.99","0.1","99.99","0.1","","","","","","","","5","I 1 a 1","I -2ya","9","","(Bn)2NC(=Se)PPh2","","- C27 H24 N P Se -","- C27 H24 N P Se -","- C216 H192 N8 P8 Se8 -","8","2","","Masuda, Ryosuke; Yano, Tamaki; Kusama, Hiroyuki","Selenoamides with two reactive sites: synthesis, structures, and dual reactivity of (selenocarbamoyl)phosphines.","Chemical communications (Cambridge, England)","2025","61","26","4955","4958","10.1039/d5cc00607d","","x-ray","0.71073","MoKα","","0.1012","0.0619","","","0.1309","0.148","","","","","","1.025","","","","has coordinates","298762","2025-04-05","02:06:43",""
"7134314","10.9052","0.0002","17.7869","0.0004","12.694","0.0003","90","","98.305","0.002","90","","2436.43","0.09","100.4","0.9","100.4","0.9","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(N,N'-dibenzylselenocarbamoyl)(di-o-tolyl)phosphine","","- C29 H28 N O P Se -","- C29 H28 N O P Se -","- C116 H112 N4 O4 P4 Se4 -","4","1","","Masuda, Ryosuke; Yano, Tamaki; Kusama, Hiroyuki","Selenoamides with two reactive sites: synthesis, structures, and dual reactivity of (selenocarbamoyl)phosphines.","Chemical communications (Cambridge, England)","2025","61","26","4955","4958","10.1039/d5cc00607d","","x-ray","0.71073","MoKα","","0.0497","0.0334","","","0.0716","0.0757","","","","","","1.035","","","","has coordinates","298762","2025-04-05","02:06:43",""
"7134315","6.8359","0.0005","12.3127","0.001","35.205","0.004","90","","90","","90","","2963.1","0.5","99.97","0.18","99.97","0.18","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(N,N'-dibenzylselenocarbamoyl)di[bis(trifluoromethyl)phenyl]phosphine","","- C31 H20 F12 N P Se -","- C31 H20 F12 N P Se -","- C124 H80 F48 N4 P4 Se4 -","4","1","","Masuda, Ryosuke; Yano, Tamaki; Kusama, Hiroyuki","Selenoamides with two reactive sites: synthesis, structures, and dual reactivity of (selenocarbamoyl)phosphines.","Chemical communications (Cambridge, England)","2025","61","26","4955","4958","10.1039/d5cc00607d","","x-ray","0.71073","MoKα","","0.0929","0.052","","","0.0784","0.0885","","","","","","0.981","","","","has coordinates","298762","2025-04-05","02:06:43",""
"7134316","17.428","0.0006","9.6355","0.0003","26.6337","0.0006","90","","90","","90","","4472.5","0.2","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(N,N'-dibenzylselenocarbamoyl)(diphenyl)phosphine oxide","","- C27 H24 N O P Se -","- C27 H24 N O P Se -","- C216 H192 N8 O8 P8 Se8 -","8","1","","Masuda, Ryosuke; Yano, Tamaki; Kusama, Hiroyuki","Selenoamides with two reactive sites: synthesis, structures, and dual reactivity of (selenocarbamoyl)phosphines.","Chemical communications (Cambridge, England)","2025","61","26","4955","4958","10.1039/d5cc00607d","","x-ray","0.71073","MoKα","","0.0492","0.0315","","","0.0779","0.083","","","","","","1.045","","","","has coordinates","298762","2025-04-05","02:06:43",""
"7134317","16.0502","0.0005","10.1153","0.0004","29.8261","0.001","90","","103.173","0.003","90","","4714.9","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(N,N'-dibenzylselenocarbamoyl)(diphenyl)phosphine selenide","","- C27 H24 N P Se2 -","- C27 H24 N P Se2 -","- C216 H192 N8 P8 Se16 -","8","1","","Masuda, Ryosuke; Yano, Tamaki; Kusama, Hiroyuki","Selenoamides with two reactive sites: synthesis, structures, and dual reactivity of (selenocarbamoyl)phosphines.","Chemical communications (Cambridge, England)","2025","61","26","4955","4958","10.1039/d5cc00607d","","x-ray","0.71073","MoKα","","0.0401","0.028","","","0.0666","0.0697","","","","","","1.073","","","","has coordinates","298762","2025-04-05","02:06:43",""
"7134318","16.6851","0.0003","9.8964","0.0002","18.0914","0.0004","90","","105.983","0.002","90","","2871.82","0.1","101","3","101","3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Bn)2NC(=Se)P(=N-2,6–dClPh)Ph2","","- C33 H27 Cl2 N2 P Se -","- C33 H27 Cl2 N2 P Se -","- C132 H108 Cl8 N8 P4 Se4 -","4","1","","Masuda, Ryosuke; Yano, Tamaki; Kusama, Hiroyuki","Selenoamides with two reactive sites: synthesis, structures, and dual reactivity of (selenocarbamoyl)phosphines.","Chemical communications (Cambridge, England)","2025","61","26","4955","4958","10.1039/d5cc00607d","","x-ray","0.71073","MoKα","","0.046","0.0309","","","0.0682","0.0726","","","","","","1.019","","","","has coordinates","298762","2025-04-05","02:06:43",""
"7134319","17.2293","0.0007","14.1326","0.0005","19.9231","0.0007","90","","90","","90","","4851.2","0.3","99.9","0.3","99.9","0.3","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Chloro[(N,N'-dibenzylselenocarbamoyl)(diphenyl)phosphine]gold(I)","","- C27 H24 Au Cl N P Se -","- C27 H24 Au Cl N P Se -","- C216 H192 Au8 Cl8 N8 P8 Se8 -","8","1","","Masuda, Ryosuke; Yano, Tamaki; Kusama, Hiroyuki","Selenoamides with two reactive sites: synthesis, structures, and dual reactivity of (selenocarbamoyl)phosphines.","Chemical communications (Cambridge, England)","2025","61","26","4955","4958","10.1039/d5cc00607d","","x-ray","0.71073","MoKα","","0.0388","0.0309","","","0.0752","0.0785","","","","","","1.045","","","","has coordinates","298762","2025-04-05","02:06:43",""
"7134320","12.1825","0.0005","15.409","0.0006","21.4921","0.0008","90","","105.099","0.004","90","","3895.2","0.3","100","0.2","100","0.2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","TPhos Pd G3","(selenocarbamoyl)phosphine Pd G3","","- C41 H39 Cl2 N2 O3 P Pd S Se -","- C41 H39 Cl2 N2 O3 P Pd S Se -","- C164 H156 Cl8 N8 O12 P4 Pd4 S4 Se4 -","4","1","","Masuda, Ryosuke; Yano, Tamaki; Kusama, Hiroyuki","Selenoamides with two reactive sites: synthesis, structures, and dual reactivity of (selenocarbamoyl)phosphines.","Chemical communications (Cambridge, England)","2025","61","26","4955","4958","10.1039/d5cc00607d","","x-ray","0.71073","MoKα","","0.0673","0.0429","","","0.0761","0.0818","","","","","","1.022","","","","has coordinates,has disorder","298762","2025-04-05","02:06:43",""
"7134321","30.6005","0.0013","30.6005","0.0013","19.9577","0.0014","90","","90","","120","","16184.5","1.5","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H36.5 N6 O10.25 -","- C40 H36.5 N6 O10.25 -","- C720 H657 N108 O184.5 -","18","1","","Li, Bing-Sha; Cao, Li-Hui; Chen, Xu-Yong; Tian, Yu","Encryption application of a fast stimulus-responsive hydrogen-bonded organic framework based on FRET.","Chemical communications (Cambridge, England)","2025","61","28","5345","5348","10.1039/d5cc00892a","","x-ray","0.71073","MoKα","","0.1827","0.1248","","","0.2913","0.3215","","","","","","1.032","","","","has coordinates,has disorder","298747","2025-04-05","02:01:15",""
"7134322","7.9052","0.0003","12.3181","0.0004","22.0431","0.0006","90","","90.006","0.001","90","","2146.49","0.12","301","2","301","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C24 H12 Br4 -","- C24 H12 Br4 -","- C96 H48 Br16 -","4","2","","Sujilkumar, Suvarna; Kalyani, Agaja; Hariharan, Mahesh","Room-temperature phosphorescence in crystalline bifurcating halogen⋯halogen synthon containing chromophore.","Chemical communications (Cambridge, England)","2025","61","29","5463","5466","10.1039/d5cc00496a","","","0.71073","MoKα","","0.0413","0.034","","","0.0773","0.0809","","","","","","1.101","","","","has coordinates","298740","2025-04-05","01:59:16",""
"7134323","8.6747","0.0005","15.1646","0.001","10.2043","0.0006","90","","103.579","0.005","90","","1304.84","0.14","114.55","0.1","114.55","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 F6 Si2 -","- C28 H24 F6 Si2 -","- C56 H48 F12 Si4 -","2","0.5","","Feng, Jianbin; Samedov, Kerim; Lu, Yanfei; Chen, Dongcheng; Cai, Yuanjing","1,5-Disila-<i>s</i>-indacene-based emitters: a molecular design towards efficient blue OLEDs.","Chemical communications (Cambridge, England)","2025","61","29","5491","5494","10.1039/d5cc00630a","","x-ray","0.71073","MoKα","","0.0741","0.0518","","","0.1095","0.1253","","","","","","1.052","","","","has coordinates,has disorder","298743","2025-04-05","02:00:08",""
"7134324","6.2534","0.0004","11.9611","0.0006","12.8145","0.0007","94.062","0.004","91.359","0.005","103.177","0.005","930.13","0.09","113.95","0.1","113.95","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 F12 Si2 -","- C42 H30 F12 Si2 -","- C42 H30 F12 Si2 -","1","0.5","","Feng, Jianbin; Samedov, Kerim; Lu, Yanfei; Chen, Dongcheng; Cai, Yuanjing","1,5-Disila-<i>s</i>-indacene-based emitters: a molecular design towards efficient blue OLEDs.","Chemical communications (Cambridge, England)","2025","61","29","5491","5494","10.1039/d5cc00630a","","x-ray","0.71073","MoKα","","0.0726","0.0579","","","0.1286","0.141","","","","","","1.037","","","","has coordinates","298743","2025-04-05","02:00:08",""
"7134325","8.9992","0.0009","11.0091","0.0012","29.001","0.003","90","","91.719","0.002","90","","2871.9","0.5","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 F2 N4 O2 -","- C28 H16 F2 N4 O2 -","- C112 H64 F8 N16 O8 -","4","1","","Zhang, Chuan-Bao; Xu, Jiying; Wang, Xiao-Qing; Deng, Yi-Hang; Dou, Pei-Hao; Xu, Wen-Li; Han, Qiu-Xia; Zhao, Lili; Fu, Ji-Ya","Synthesis of highly substituted 2-hydroxybenzophenones through skeletal clipping of 3-benzofuranones","Chemical Communications","2025","61","30","5645","5648","10.1039/D5CC00396B","","","0.71073","MoKα","","0.0994","0.0485","","","0.1237","0.1498","","","","","","0.999","","","","has coordinates","300490","2025-07-06","13:21:37",""
"7134326","16.1597","0.0016","10.6689","0.001","13.0214","0.0013","90","","90","","90","","2245","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C28 H22 N2 O3 -","- C28 H22 N2 O3 -","- C112 H88 N8 O12 -","4","1","","Zhang, Chuan-Bao; Xu, Jiying; Wang, Xiao-Qing; Deng, Yi-Hang; Dou, Pei-Hao; Xu, Wen-Li; Han, Qiu-Xia; Zhao, Lili; Fu, Ji-Ya","Synthesis of highly substituted 2-hydroxybenzophenones through skeletal clipping of 3-benzofuranones","Chemical Communications","2025","61","30","5645","5648","10.1039/D5CC00396B","","","0.71073","MoKα","","0.0409","0.0354","","","0.0869","0.0909","","","","","","1.025","","","","has coordinates","300490","2025-07-06","13:21:37",""
"7134327","8.9922","0.0004","10.9314","0.0004","28.0249","0.0009","81.537","0.002","84.208","0.003","88.326","0.003","2710.58","0.18","223","","223","","","","","","","","","4","P -1","-P 1","2","PPSCZ","","","- C120 H117.84 Br0.16 N10 -","- C120 H117.844 Br0.1562 N10 -","- C120 H117.844 Br0.1562 N10 -","1","0.5","","Su, Jie; Wei, Jian; Ye, Kaishun; Li, Feiyang; Wang, Mengzhu; Li, Qiuxia; Yuan, Aihua; Zhao, Qiang; Shi, Chao","Tuning charge transfer properties in symmetric and asymmetric pyrrolo[3,2-<i>b</i>]pyrrole derivatives with hybridized local and charge-transfer characteristics.","Chemical communications (Cambridge, England)","2025","61","29","5475","5478","10.1039/d5cc00421g","","","1.54178","CuKα","","0.0932","0.0563","","","0.1453","0.1702","","","","","","1.012","","","","has coordinates,has disorder","298742","2025-04-05","01:59:57",""
"7134328","20.4063","0.0006","4.2344","0.0002","15.0153","0.0005","90","","91.449","0.003","90","","1297.03","0.08","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Cl N2 O -","- C17 H11 Cl N2 O -","- C68 H44 Cl4 N8 O4 -","4","1","","Jangir, Tarun; Nipate, Dhananjay S.; Rangan, Krishnan; Kumar, Anil","Ru(ii)-catalyzed oxidative (4+3) C–H/C–H annulation of 2-aryl-4H-pyrido[1,2-a]pyrimidin-4-ones with allyl alcohol","Chemical Communications","2025","61","31","5762","5765","10.1039/D5CC00318K","","x-ray","0.71073","MoKα","","0.0449","0.0358","","","0.0938","0.1024","","","","","","1.077","","","","has coordinates","300495","2025-07-06","13:23:02",""
"7134329","13.7002","0.0003","21.455","0.0005","27.9931","0.0007","90","","90","","90","","8228.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H14 F6 Se2 -","- C23 H14 F6 Se2 -","- C368 H224 F96 Se32 -","16","2","","Watanabe, Yoshiyuki; Kim, Sunnam; Kosumi, Daisuke; Kitagawa, Daichi; Kobatake, Seiya; Fukaminato, Tsuyoshi","Synthesis and photochromism of a turn-on fluorescent diarylethene having benzo[b]selenophene groups as the aryl units","Chemical Communications","2025","61","34","6304","6307","10.1039/D5CC00598A","","","0.71075","MoKα","","0.0494","0.0355","","","0.0718","0.0768","","","","","","1.098","","","","has coordinates","300527","2025-07-06","13:34:36",""
"7134330","9.0615","0.0002","11.8873","0.0003","17.2354","0.0005","90","","90","","90","","1856.54","0.08","100","0.1","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Se2 -","- C23 H20 Se2 -","- C92 H80 Se8 -","4","1","","Watanabe, Yoshiyuki; Kim, Sunnam; Kosumi, Daisuke; Kitagawa, Daichi; Kobatake, Seiya; Fukaminato, Tsuyoshi","Synthesis and photochromism of a turn-on fluorescent diarylethene having benzo[b]selenophene groups as the aryl units","Chemical Communications","2025","61","34","6304","6307","10.1039/D5CC00598A","","","1.54184","CuKα","","0.0431","0.0419","","","0.1087","0.1103","","","","","","1.062","","","","has coordinates","300527","2025-07-06","13:34:36",""
"7134331","7.4749","0.0004","9.2492","0.0005","11.6066","0.0008","90","","94.679","0.003","90","","799.77","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H12 F3 N O2 -","- C19 H12 F3 N O2 -","- C38 H24 F6 N2 O4 -","2","1","","Pandidurai, Solai; Chinababu, Maddala; Sekar, Govindasamy","Domino 1,3-dipolar cycloaddition/ring-opening/ring-cleavage: synthesis of trisubstituted pyrrole and chiral dihydropyrrole-3-carbaldehydes","Chemical Communications","2025","61","31","5806","5809","10.1039/D4CC06706A","","","0.71073","MoKα","","0.0359","0.032","","","0.0761","0.0792","","","","","","1.042","","","","has coordinates","300496","2025-07-06","13:23:12",""
"7134332","10.0822","0.0007","10.1131","0.0007","11.3662","0.0007","95.063","0.002","92.398","0.002","98.918","0.003","1138.63","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 N5 O7 Se Zn -","- C21 H21 N5 O7 Se Zn -","- C42 H42 N10 O14 Se2 Zn2 -","2","1","","Aliyeva, Vusala A.; André, Vânia; Martins, Luísa M. D. R. S.; Gurbanov, Atash V.; Gomila, Rosa M.; Frontera, Antonio; Cruz, Tiago F. C.; Mahmudov, Kamran T.","Chalcogen bonded metal–organic frameworks: insights from X-ray analysis and theoretical calculations","Chemical Communications","2025","61","32","5962","5965","10.1039/D5CC00548E","","","0.71073","MoKα","","0.0565","0.0379","","","0.0954","0.1039","","","","","","1.026","","","","has coordinates","300425","2025-07-06","12:57:13",""
"7134333","11.593","0.0004","15.1366","0.0005","16.7568","0.0006","67.251","0.001","89.644","0.001","68.013","0.001","2481.26","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 Cd2 N10 O14 Se2 -","- C46 H50 Cd2 N10 O14 Se2 -","- C92 H100 Cd4 N20 O28 Se4 -","2","1","","Aliyeva, Vusala A.; André, Vânia; Martins, Luísa M. D. R. S.; Gurbanov, Atash V.; Gomila, Rosa M.; Frontera, Antonio; Cruz, Tiago F. C.; Mahmudov, Kamran T.","Chalcogen bonded metal–organic frameworks: insights from X-ray analysis and theoretical calculations","Chemical Communications","2025","61","32","5962","5965","10.1039/D5CC00548E","","","0.71073","MoKα","","0.0457","0.0392","","","0.0992","0.1038","","","","","","1.032","","","","has coordinates,has disorder","300425","2025-07-06","12:57:14",""
"7134334","23.9875","0.0019","6.6512","0.0005","9.5172","0.0007","90","","99.885","0.002","90","","1495.9","0.2","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C64 H72 O12 S4 -","4","1","","Biswas, Ashish; Pradhan, Priyanka; Wakpanjar, Sumit Ashok; Kancharla, Pavan K.","Direct organocatalytic esterification of carboxylic acids and alcohols by redox neutral sulfur(iv) catalysis via intramolecularly interrupted Pummerrer intermediates","Chemical Communications","2025","61","31","5746","5749","10.1039/D5CC00556F","","","0.71073","MoKα","","0.042","0.0364","","","0.1147","0.1275","","","","","","0.844","","","","has coordinates","300497","2025-07-06","13:23:25",""
"7134335","12.8911","0.0002","14.7","0.0002","20.0129","0.0004","90","","105.966","0.002","90","","3646.14","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H9 N O2 S2 -","- C70 H9 N O2 S2 -","- C280 H36 N4 O8 S8 -","4","1","","Zhang, Qian-Wen; Liu, Yuanyuan; Yin, Zheng-Chun; Qiu, Wen-Jie; Huang, Xinmin; Li, Jian-Feng; Wang, Guan-Wu","Synthesis of [60]fullerene-fused dihydroindolizines via copper-catalyzed dearomative N-heteroannulation","Chemical Communications","2025","61","30","5653","5656","10.1039/D5CC00820D","","x-ray","1.54184","CuKα","","0.0677","0.0488","","","0.1228","0.1363","","","","","","1.014","","","","has coordinates","300492","2025-07-06","13:22:14",""
"7134336","7.6985","0.0002","19.2903","0.0005","17.9591","0.0005","90","","92.031","0.003","90","","2665.37","0.12","149.97","0.18","149.97","0.18","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 Fe O P Te -","- C32 H25 Fe O P Te -","- C128 H100 Fe4 O4 P4 Te4 -","4","1","","Burt, Liam K.; Kirk, Ryan M.; Hill, Anthony F.","Alkynyltellurolato ligands including a solvatochromic rhenium(i) complex","Chemical Communications","2025","61","33","6150","6153","10.1039/D5CC00770D","","x-ray","0.71073","MoKα","","0.0446","0.0315","","","0.0629","0.0706","","","","","","1.047","","","","has coordinates","300431","2025-07-06","13:00:19",""
"7134337","7.096","0.0003","7.1524","0.0004","11.2227","0.0007","80.861","0.005","73.077","0.005","72.852","0.004","519.04","0.05","150","0.1","150","0.1","","","","","","","","7","P 1","P 1","1","","","","- C18 H17 N2 O3 Re Si Te -","- C18 H17 N2 O3 Re Si Te -","- C18 H17 N2 O3 Re Si Te -","1","1","","Burt, Liam K.; Kirk, Ryan M.; Hill, Anthony F.","Alkynyltellurolato ligands including a solvatochromic rhenium(i) complex","Chemical Communications","2025","61","33","6150","6153","10.1039/D5CC00770D","","x-ray","0.71073","MoKα","","0.04","0.0381","","","0.0737","0.0749","","","","","","1.104","","","","has coordinates","300431","2025-07-06","13:00:20",""
"7134338","14.3295","0.0004","15.7024","0.0005","20.0157","0.0004","105.317","0.002","97.2517","0.0019","107.059","0.003","4050","0.2","144","3","144","3","","","","","","","","6","P -1","-P 1","2","","","","- C64 H58 Cl6 N10 P2 Ru2 -","- C64 H58 Cl6 N10 P2 Ru2 -","- C128 H116 Cl12 N20 P4 Ru4 -","2","1","","Cui, Tianhua; Gong, Huihua; Ji, Li; Kong, Yuxuan; Yang, Siheng; Xue, Weichao; Zheng, Xueli; Fu, Haiyan; Cheng, Chong; Li, Shuang; Chen, Hua; Li, Ruixiang; Xu, Jiaqi","CO2-mediated hydrogen storage and release cycles realized by a bimetallic ruthenium complex in pure water","Chemical Communications","2025","61","32","5946","5949","10.1039/D5CC00802F","","x-ray","0.71073","MoKα","","0.0863","0.0634","","","0.1715","0.1848","","","","","","1.129","","","","has coordinates","300424","2025-07-06","12:56:57",""
"7134339","10.7554","0.0004","16.9347","0.0006","18.5184","0.0007","90","","90","","90","","3372.9","0.2","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H36 Cl2 N5 P Ru -","- C35 H36 Cl2 N5 P Ru -","- C140 H144 Cl8 N20 P4 Ru4 -","4","1","","Cui, Tianhua; Gong, Huihua; Ji, Li; Kong, Yuxuan; Yang, Siheng; Xue, Weichao; Zheng, Xueli; Fu, Haiyan; Cheng, Chong; Li, Shuang; Chen, Hua; Li, Ruixiang; Xu, Jiaqi","CO2-mediated hydrogen storage and release cycles realized by a bimetallic ruthenium complex in pure water","Chemical Communications","2025","61","32","5946","5949","10.1039/D5CC00802F","","x-ray","0.71073","MoKα","","0.0491","0.038","","","0.0829","0.0898","","","","","","1.052","","","","has coordinates","300424","2025-07-06","12:56:59",""
"7134340","9.4203","0.0003","10.4873","0.0003","11.2604","0.0003","111.406","0.003","97.093","0.002","111.432","0.003","920.79","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 O2 S -","- C25 H18 O2 S -","- C50 H36 O4 S2 -","2","1","","Hemamalini, Vijayakumar; Senthil, Maheswaran; Shankar, Bhaskaran; Ramesh, Subburethinam","Serendipitous pathway to naphtho[2,1-b]furan and its thioether enabled by triflic acid and thiol-mediated reaction","Chemical Communications","2025","61","34","6356","6359","10.1039/D5CC00753D","","","0.71073","MoKα","","0.0634","0.0538","","","0.1456","0.1494","","","","","","0.969","","","","has coordinates","300526","2025-07-06","13:34:20",""
"7134341","26.0468","0.0012","6.2973","0.0004","8.0249","0.0004","90","","93.462","0.004","90","","1313.88","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 O -","- C19 H14 O -","- C76 H56 O4 -","4","1","","Hemamalini, Vijayakumar; Senthil, Maheswaran; Shankar, Bhaskaran; Ramesh, Subburethinam","Serendipitous pathway to naphtho[2,1-b]furan and its thioether enabled by triflic acid and thiol-mediated reaction","Chemical Communications","2025","61","34","6356","6359","10.1039/D5CC00753D","","","0.71073","MoKα","","0.0517","0.0435","","","0.1098","0.1145","","","","","","0.977","","","","has coordinates","300526","2025-07-06","13:34:20",""
"7134342","7.968","0.005","5.187","0.003","33.21","0.019","90","","94.005","0.01","90","","1369.2","1.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br N S -","- C15 H12 Br N S -","- C60 H48 Br4 N4 S4 -","4","1","","Sun, Guangping; Li, Menghang; Li, Jiaji; Feng, Jin; Yan, Zhenhao; Sun, Yiwen; Pu, Liangtao; Zhu, Jinli; Tang, Yanfeng; Yao, Yong","Enhanced emission in a supramolecular artificial light-harvesting system for a photocatalytic thiol–ene reaction","Chemical Communications","2025","61","34","6360","6363","10.1039/D5CC00339C","","","0.71073","MoKα","","0.1115","0.0891","","","0.2768","0.2986","","","","","","1.091","","","","has coordinates","300525","2025-07-06","13:34:09",""
"7134343","17.7931","0.0004","14.996","0.0003","16.0649","0.0003","90","","113.13","0.003","90","","3941.95","0.17","296.12","0.1","296.12","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H39 Co N2 O10 -","- C43 H39 Co N2 O10 -","- C172 H156 Co4 N8 O40 -","4","1","","Wang, Xiaokang; Liu, Hongyan; Sun, Meng; Gao, Fei; Feng, Xueying; Xu, Mingming; Wang, Yutong; Fan, Weidong; Sun, Daofeng","Solvent-etching-induced in situ crystal structure transformation in hydrogen-bonded organic frameworks","Chemical Communications","2025","61","33","6166","6169","10.1039/D5CC00829H","","x-ray","1.54184","CuKα","","0.0889","0.0662","","","0.1754","0.1995","","","","","","1.029","","","","has coordinates","300432","2025-07-06","13:00:32",""
"7134344","11.4687","0.0005","13.007","0.0006","14.1101","0.0005","74.105","0.004","88.003","0.003","71.393","0.004","1915.37","0.15","294.2","0.3","294.2","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C43 H39 Co N2 O10 -","- C43 H39 Co N2 O10 -","- C86 H78 Co2 N4 O20 -","2","1","","Wang, Xiaokang; Liu, Hongyan; Sun, Meng; Gao, Fei; Feng, Xueying; Xu, Mingming; Wang, Yutong; Fan, Weidong; Sun, Daofeng","Solvent-etching-induced in situ crystal structure transformation in hydrogen-bonded organic frameworks","Chemical Communications","2025","61","33","6166","6169","10.1039/D5CC00829H","","x-ray","1.54184","CuKα","","0.0577","0.0439","","","0.1083","0.116","","","","","","1.038","","","","has coordinates","300432","2025-07-06","13:00:33",""
"7134345","10.7772","0.0007","12.8183","0.0008","8.8804","0.0006","90","","92.39","0.002","90","","1225.72","0.14","108","","108","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-one","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Sk, Asikul; Banerji, Biswadip","Access to pyrido-pyrimidinone and imidazopyridine via Fe(iii)-mediated denitrogenative annulation of tetrazolopyridine with β-keto ester","Chemical Communications","2025","61","34","6312","6315","10.1039/D5CC00258C","","","1.54178","CuKα","","0.0419","0.04","","","0.1152","0.1245","","","","","","1.0468","","","","has coordinates","300529","2025-07-06","13:35:47",""
"7134346","17.4261","0.0006","6.7139","0.0002","19.0884","0.0007","90","","103.337","0.001","90","","2173.06","0.13","121","","121","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","2-(benzo[d][1,3]dioxol-5-yl)imidazo[1,2-a]pyridine","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","2","","Sk, Asikul; Banerji, Biswadip","Access to pyrido-pyrimidinone and imidazopyridine via Fe(iii)-mediated denitrogenative annulation of tetrazolopyridine with β-keto ester","Chemical Communications","2025","61","34","6312","6315","10.1039/D5CC00258C","","","1.54178","CuKα","","0.0524","0.0519","","","0.1466","0.1473","","","","","","1.0416","","","","has coordinates","300529","2025-07-06","13:35:47",""
"7134347","10.1684","0.0003","23.201","0.0006","17.4735","0.0005","90","","105.108","0.003","90","","3979.8","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H46 Br3 Cu O P2 -","- C42 H46 Br3 Cu O P2 -","- C168 H184 Br12 Cu4 O4 P8 -","4","1","","Yang, Lin; Li, Yani; Liu, Xia; Li, Bohan; Xu, Yan","Halogen and solvent effects induced structural transformation and isostructural luminescence regulation in copper-based hybrid halides","Chemical Communications","2025","61","36","6619","6622","10.1039/D5CC00749F","","x-ray","0.71073","MoKα","K-L~3~","0.0472","0.045","","","0.1199","0.1208","","","","","","1.112","","","","has coordinates","300498","2025-07-06","13:23:57",""
"7134348","11.6293","0.0003","12.4221","0.0003","15.4045","0.0004","90","","94.582","0.002","90","","2218.23","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cu I2 P -","- C21 H22 Cu I2 P -","- C84 H88 Cu4 I8 P4 -","4","1","","Yang, Lin; Li, Yani; Liu, Xia; Li, Bohan; Xu, Yan","Halogen and solvent effects induced structural transformation and isostructural luminescence regulation in copper-based hybrid halides","Chemical Communications","2025","61","36","6619","6622","10.1039/D5CC00749F","","x-ray","0.71073","MoKα","","0.0381","0.0248","","","0.0534","0.057","","","","","","1.027","","","","has coordinates","300498","2025-07-06","13:24:03",""
"7134349","11.6304","0.0004","12.4197","0.0003","15.4062","0.0004","90","","94.555","0.003","90","","2218.34","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cu I2 P -","- C21 H22 Cu I2 P -","- C84 H88 Cu4 I8 P4 -","4","1","","Yang, Lin; Li, Yani; Liu, Xia; Li, Bohan; Xu, Yan","Halogen and solvent effects induced structural transformation and isostructural luminescence regulation in copper-based hybrid halides","Chemical Communications","2025","61","36","6619","6622","10.1039/D5CC00749F","","x-ray","0.71073","MoKα","","0.0449","0.0308","","","0.0703","0.0755","","","","","","1.035","","","","has coordinates","300498","2025-07-06","13:24:13",""
"7134350","11.6568","0.0016","12.3997","0.0013","15.3791","0.0016","90","","94.502","0.011","90","","2216","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cu I2 P -","- C21 H22 Cu I2 P -","- C84 H88 Cu4 I8 P4 -","4","1","","Yang, Lin; Li, Yani; Liu, Xia; Li, Bohan; Xu, Yan","Halogen and solvent effects induced structural transformation and isostructural luminescence regulation in copper-based hybrid halides","Chemical Communications","2025","61","36","6619","6622","10.1039/D5CC00749F","","x-ray","0.71073","MoKα","","0.0581","0.0332","","","0.0697","0.0797","","","","","","1.022","","","","has coordinates","300498","2025-07-06","13:24:15",""
"7134351","11.6416","0.0004","12.4211","0.0004","15.4172","0.0005","90","","94.557","0.003","90","","2222.3","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cu I2 P -","- C21 H22 Cu I2 P -","- C84 H88 Cu4 I8 P4 -","4","1","","Yang, Lin; Li, Yani; Liu, Xia; Li, Bohan; Xu, Yan","Halogen and solvent effects induced structural transformation and isostructural luminescence regulation in copper-based hybrid halides","Chemical Communications","2025","61","36","6619","6622","10.1039/D5CC00749F","","x-ray","0.71073","MoKα","","0.0328","0.0233","","","0.0638","0.0673","","","","","","1.023","","","","has coordinates","300498","2025-07-06","13:24:16",""
"7134352","10.1359","0.0002","23.6427","0.0004","17.8625","0.0004","90","","102.533","0.002","90","","4178.57","0.15","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H45.25 Cu I3 O0.62 P2 -","- C42 H45.246 Cu I3 O0.623 P2 -","- C168 H180.984 Cu4 I12 O2.492 P8 -","4","1","","Yang, Lin; Li, Yani; Liu, Xia; Li, Bohan; Xu, Yan","Halogen and solvent effects induced structural transformation and isostructural luminescence regulation in copper-based hybrid halides","Chemical Communications","2025","61","36","6619","6622","10.1039/D5CC00749F","","x-ray","0.71073","MoKα","K-L~3~","0.0307","0.0283","","","0.0678","0.069","","","","","","1.045","","","","has coordinates","300498","2025-07-06","13:24:16",""
"7134353","18.4212","0.0004","25.9376","0.0005","29.3062","0.0006","90","","92.117","0.002","90","","13993","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C82 H161 N13 Nb2 O72 P8 S2 V14 -","- C52 H55 N2 Nb2 O64 P8 S2 V14 -","- C208 H220 N8 Nb8 O256 P32 S8 V56 -","4","1","","Fang, Renbo; Zhang, Di; Dong, Jing; Feng, Yeqin; Liu, Chengpeng; Yao, Liaoyuan; Chi, Yingnan; Hu, Changwen","An open hollow polyoxovanadate cage based on {Nb(V5)} pentagons with size-selective encapsulation properties","Chemical Communications","2025","61","33","6182","6185","10.1039/D5CC01376C","","x-ray","0.71073","MoKα","","0.1039","0.0722","","","0.1908","0.2129","","","","","","1.031","","","","has coordinates,has disorder","300433","2025-07-06","13:01:15",""
"7134354","26.0643","0.0004","31.9841","0.0007","16.5506","0.0003","90","","90","","90","","13797.3","0.4","150","","150","","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C72 H135 Cs4 N11 Nb2 O72 P8 S4 V14 -","- C13.75 H17.25 Cs1.0625 N0.625 Nb0.5 O18.4375 P2 S V3.5 -","- C220 H276 Cs17 N10 Nb8 O295 P32 S16 V56 -","16","2","","Fang, Renbo; Zhang, Di; Dong, Jing; Feng, Yeqin; Liu, Chengpeng; Yao, Liaoyuan; Chi, Yingnan; Hu, Changwen","An open hollow polyoxovanadate cage based on {Nb(V5)} pentagons with size-selective encapsulation properties","Chemical Communications","2025","61","33","6182","6185","10.1039/D5CC01376C","","","0.71073","MoKα","","0.1327","0.1161","","","0.3388","0.3531","","","","","","0.974","","","","has coordinates,has disorder","300433","2025-07-06","13:01:17",""
"7134355","18.1749","0.0003","25.9752","0.0004","29.0297","0.0004","90","","90.119","0.001","90","","13704.8","0.4","149.99","","149.99","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C80 H142 N12 Nb2 O69 P8 S2 V14 -","- C68 H95 N7 Nb2 O67 P8 S2 V14 -","- C272 H380 N28 Nb8 O268 P32 S8 V56 -","4","1","","Fang, Renbo; Zhang, Di; Dong, Jing; Feng, Yeqin; Liu, Chengpeng; Yao, Liaoyuan; Chi, Yingnan; Hu, Changwen","An open hollow polyoxovanadate cage based on {Nb(V5)} pentagons with size-selective encapsulation properties","Chemical Communications","2025","61","33","6182","6185","10.1039/D5CC01376C","","","0.71073","MoKα","","0.0975","0.0762","","","0.2123","0.2234","","","","","","1.026","","","","has coordinates,has disorder","300433","2025-07-06","13:01:25",""
"7134356","18.0624","0.0003","25.9485","0.0004","29.2392","0.0005","90","","90.278","0.001","90","","13704","0.4","149.99","0.1","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C80 H152 N11 Nb2 O70 P8 S2 V14 -","- C74.1 H110.3 N9 Nb2 O69 P8 S2 V14 -","- C296.4 H441.2 N36 Nb8 O276 P32 S8 V56 -","4","1","","Fang, Renbo; Zhang, Di; Dong, Jing; Feng, Yeqin; Liu, Chengpeng; Yao, Liaoyuan; Chi, Yingnan; Hu, Changwen","An open hollow polyoxovanadate cage based on {Nb(V5)} pentagons with size-selective encapsulation properties","Chemical Communications","2025","61","33","6182","6185","10.1039/D5CC01376C","","","0.71073","MoKα","","0.1042","0.0842","","","0.247","0.2638","","","","","","1.057","","","","has coordinates,has disorder","300433","2025-07-06","13:01:26",""
"7134357","12.68805","0.00019","14.41773","0.00019","10.39362","0.00016","90","","102.513","0.0015","90","","1856.17","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2,2-trichloro-N-(15-methylene-7-azadispiro[5.1.58.26]pentadecan-14-yl) acetamide-7-N-oxyl","","- C17 H24 Cl3 N2 O2 -","- C17 H24 Cl3 N2 O2 -","- C68 H96 Cl12 N8 O8 -","4","1","","Sowiński, Mateusz P.; Mocanu, Elena M.; Ruskin-Dodd, Hannah; McKay, Aidan P.; Cordes, David B.; Lovett, Janet E.; Haugland-Grange, Marius","Sigmatropic rearrangement enables access to a highly stable spirocyclic nitroxide for protein spin labelling","Chemical Communications","2025","61","37","6755","6758","10.1039/D5CC00472A","","x-ray","1.54184","CuKα","","0.0404","0.0376","","","0.1045","0.1064","","","","","","1.079","","","","has coordinates","300418","2025-07-06","12:54:38",""
"7134358","11.237","0.004","13.727","0.005","15.396","0.005","86.231","0.008","72.039","0.008","80.057","0.008","2225","1.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H46 Cl2 F6 Ge O8 P2 S2 -","- C39 H46 Cl2 F6 Ge O8 P2 S2 -","- C78 H92 Cl4 F12 Ge2 O16 P4 S4 -","2","1","","Kumari, Akanksha; Peddi, Balakrishna; Yildiz, Cem. B.; Majumdar, Moumita","An intramolecular phosphine-oxide stabilized germanium(iv) di-cation with enhanced Lewis acidity and catalytic applications","Chemical Communications","2025","61","35","6506","6509","10.1039/D5CC00250H","","","0.71073","MoKα","","0.0672","0.0484","","","0.1206","0.1312","","","","","","1.077","","","","has coordinates,has disorder","300508","2025-07-06","13:27:42",""
"7134359","10.664","0.005","11.806","0.006","14.963","0.007","94.403","0.013","96.594","0.012","98.318","0.013","1843.3","1.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H45 F3 Ge O5 P2 S -","- C37 H45 F3 Ge O5 P2 S -","- C74 H90 F6 Ge2 O10 P4 S2 -","2","1","","Kumari, Akanksha; Peddi, Balakrishna; Yildiz, Cem. B.; Majumdar, Moumita","An intramolecular phosphine-oxide stabilized germanium(iv) di-cation with enhanced Lewis acidity and catalytic applications","Chemical Communications","2025","61","35","6506","6509","10.1039/D5CC00250H","","","0.71073","MoKα","","0.0636","0.0401","","","0.0856","0.0947","","","","","","1.031","","","","has coordinates","300508","2025-07-06","13:27:43",""
"7134360","42.865","0.013","16.681","0.005","14.76","0.004","90","","95.368","0.007","90","","10508","5","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C89 H114 Cl6 F24 Ge2 N4 O4 P4 Sb4 -","- C89 H114 Cl6 F24 Ge2 N4 O4 P4 Sb4 -","- C356 H456 Cl24 F96 Ge8 N16 O16 P16 Sb16 -","4","0.5","","Kumari, Akanksha; Peddi, Balakrishna; Yildiz, Cem. B.; Majumdar, Moumita","An intramolecular phosphine-oxide stabilized germanium(iv) di-cation with enhanced Lewis acidity and catalytic applications","Chemical Communications","2025","61","35","6506","6509","10.1039/D5CC00250H","","","0.71073","MoKα","","0.0787","0.0401","","","0.0772","0.093","","","","","","1.017","","","","has coordinates,has disorder","300508","2025-07-06","13:27:43",""
"7134361","12.3052","0.0013","12.8654","0.0014","15.2505","0.0016","73.204","0.003","72.985","0.003","81.658","0.003","2205.3","0.4","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H60 F4 Ge O7 P2 S -","- C45 H60 F4 Ge O7 P2 S -","- C90 H120 F8 Ge2 O14 P4 S2 -","2","1","","Kumari, Akanksha; Peddi, Balakrishna; Yildiz, Cem. B.; Majumdar, Moumita","An intramolecular phosphine-oxide stabilized germanium(iv) di-cation with enhanced Lewis acidity and catalytic applications","Chemical Communications","2025","61","35","6506","6509","10.1039/D5CC00250H","","","0.71073","MoKα","","0.0595","0.0402","","","0.0857","0.0943","","","","","","1.056","","","","has coordinates","300508","2025-07-06","13:27:43",""
"7134362","7.1766","0.0003","11.8425","0.0004","16.5364","0.0006","84.628","0.002","87.323","0.002","81.602","0.002","1383.46","0.09","159","2","159","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H31 Br3 N6 O2 -","- C24 H31 Br3 N6 O2 -","- C48 H62 Br6 N12 O4 -","2","1","","Raza, Asif; Nikkhah, Sousa Javan; Croitor, Lilia; Attallah, Ahmed Gamal; Hirschmann, Eric; Vandichel, Matthias; Mukherjee, Soumya","An ionic ultramicroporous polymer with engineered nanopores enables enhanced acetylene/carbon dioxide separation","Chemical Communications","2025","61","35","6466","6469","10.1039/D5CC01092F","","","1.54178","CuKα","","0.041","0.0342","","","0.0869","0.0911","","","","","","1.005","","","","has coordinates,has disorder","300510","2025-07-06","13:28:29",""
"7134363","12.3149","0.0017","7.8964","0.0011","12.79","0.0017","90","","112.156","0.006","90","","1151.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 N12 O8 S2 -","- C16 H24 N12 O8 S2 -","- C32 H48 N24 O16 S4 -","2","0.5","","Chen, Xu-Yong; Fei, Guiqiang; Bai, Xiang-Tian; Qi, Simeng; Cao, Xiao-Jie; Gao, Yi-Da; Luo, Xin; Cao, Li-Hui","Anthraquinone substituents modulate ionic hydrogen-bonded organic frameworks to achieve high ionic conductivity for alkali metal ions","Chemical Communications","2025","61","35","6538","6541","10.1039/D5CC00747J","","x-ray","0.71073","MoKα","","0.0359","0.0322","","","0.0873","0.0899","","","","","","1.087","","","","has coordinates","300506","2025-07-06","13:27:01",""
"7134364","6.8832","0.0001","14.6525","0.0002","23.2897","0.0004","90","","90","","90","","2348.91","0.06","212.99","0.1","212.99","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 N12 O8 S2 -","- C16 H24 N12 O8 S2 -","- C64 H96 N48 O32 S8 -","4","0.5","","Chen, Xu-Yong; Fei, Guiqiang; Bai, Xiang-Tian; Qi, Simeng; Cao, Xiao-Jie; Gao, Yi-Da; Luo, Xin; Cao, Li-Hui","Anthraquinone substituents modulate ionic hydrogen-bonded organic frameworks to achieve high ionic conductivity for alkali metal ions","Chemical Communications","2025","61","35","6538","6541","10.1039/D5CC00747J","","x-ray","1.54184","CuKα","","0.0421","0.0392","","","0.1094","0.1127","","","","","","1.06","","","","has coordinates","300506","2025-07-06","13:27:01",""
"7134365","11.5525","0.0008","7.9187","0.0006","28.056","0.002","90","","96.854","0.002","90","","2548.2","0.3","295","2","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N2 O2 -","- C30 H34 N2 O2 -","- C120 H136 N8 O8 -","4","1","","Senapati, Siddhartha Kumar; Das, Animesh","Reductive alkylation of azoarenes to N-alkylated hydrazines enabled by hexafluoroisopropanol","Chemical Communications","2025","61","47","8596","8599","10.1039/D5CC00425J","","","0.71073","MoKα","","0.1246","0.0994","","","0.2239","0.2439","","","","","","1.142","","","","has coordinates,has disorder","300471","2025-07-06","13:15:12",""
"7134366","10.0574","0.0005","30.2497","0.0016","9.2025","0.0005","90","","106.742","0.002","90","","2681","0.2","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O8 -","- C28 H30 N2 O8 -","- C112 H120 N8 O32 -","4","2","","Qian, Xue-Wei; Lin, Hong; Hu, Tianjiao; Yang, Xiaodi; Sun, Xing-Wen","Synthesis of enantioenriched spirocyclic oxindoles catalyzed by bifunctional thiourea","Chemical Communications","2025","61","34","6348","6351","10.1039/D5CC00165J","","","1.34139","GaKα","","0.0437","0.0404","","","0.1006","0.1034","","","","","","1.051","","","","has coordinates","300528","2025-07-06","13:34:55",""
"7134367","6.0191","0.0001","21.3231","0.0003","20.4562","0.0003","90","","90.459","0.002","90","","2625.38","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","WJL20250220","","- C31 H26 N2 O6 -","- C31 H26 N2 O6 -","- C124 H104 N8 O24 -","4","1","","Wang, Jiali; Luan, Runze; Liu, Tianming; Liu, Siqing; Du, Yu; Su, Weiping","Native group-directed double Heck arylation of internal alkenes via selective β-H elimination","Chemical Communications","2025","61","35","6526","6529","10.1039/D5CC00821B","","x-ray","1.54184","CuKα","","0.0623","0.0517","","","0.1284","0.1339","","","","","","1.067","","","","has coordinates","300509","2025-07-06","13:28:07",""
"7134368","9.5127","0.0013","11.3592","0.0014","11.7695","0.0015","113.315","0.003","102.042","0.004","107.947","0.004","1028.5","0.2","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H70 N2 P2 -","- C44 H70 N2 P2 -","- C44 H70 N2 P2 -","1","0.5","","Francis, Maria; Patra, Asutosh; Salam, Farsana Abdul; Ungur, Liviu; Schwarz, Björn; Roy, Sudipta","Isolation and oxygen activation of electron-rich CoII4O metallic clusters having a 3-fold symmetry","Chemical Communications","2025","61","38","6897","6900","10.1039/D4CC06550F","","","0.71073","MoKα","","0.0332","0.0325","","","0.0832","0.0837","","","","","","1.071","","","","has coordinates","300534","2025-07-06","13:38:01",""
"7134369","9.2221","0.0008","11.5488","0.001","14.3412","0.0013","110.948","0.003","96.154","0.004","94.802","0.004","1405.9","0.2","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H86 Cl2 Co2 N2 O6 P2 -","- C54 H86 Cl2 Co2 N2 O6 P2 -","- C54 H86 Cl2 Co2 N2 O6 P2 -","1","0.5","","Francis, Maria; Patra, Asutosh; Salam, Farsana Abdul; Ungur, Liviu; Schwarz, Björn; Roy, Sudipta","Isolation and oxygen activation of electron-rich CoII4O metallic clusters having a 3-fold symmetry","Chemical Communications","2025","61","38","6897","6900","10.1039/D4CC06550F","","","0.71073","MoKα","","0.0497","0.036","","","0.0884","0.0951","","","","","","1.047","","","","has coordinates","300534","2025-07-06","13:38:02",""
"7134370","10.1686","0.0005","12.4842","0.0006","18.9809","0.0008","90","","96.897","0.002","90","","2392.13","0.19","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H70 Cl2 Co2 N2 O4 P2 -","- C44 H70 Cl2 Co2 N2 O4 P2 -","- C88 H140 Cl4 Co4 N4 O8 P4 -","2","0.5","","Francis, Maria; Patra, Asutosh; Salam, Farsana Abdul; Ungur, Liviu; Schwarz, Björn; Roy, Sudipta","Isolation and oxygen activation of electron-rich CoII4O metallic clusters having a 3-fold symmetry","Chemical Communications","2025","61","38","6897","6900","10.1039/D4CC06550F","","","0.71073","MoKα","","0.0604","0.0543","","","0.1371","0.141","","","","","","1.067","","","","has coordinates,has disorder","300534","2025-07-06","13:38:02",""
"7134371","12.005","0.004","10.958","0.004","16.343","0.005","90","","91.104","0.011","90","","2149.5","1.2","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H70 N2 P2 -","- C46 H70 N2 P2 -","- C92 H140 N4 P4 -","2","0.5","","Francis, Maria; Patra, Asutosh; Salam, Farsana Abdul; Ungur, Liviu; Schwarz, Björn; Roy, Sudipta","Isolation and oxygen activation of electron-rich CoII4O metallic clusters having a 3-fold symmetry","Chemical Communications","2025","61","38","6897","6900","10.1039/D4CC06550F","","","0.71073","MoKα","","0.0586","0.0426","","","0.1149","0.1249","","","","","","1.036","","","","has coordinates","300534","2025-07-06","13:38:02",""
"7134372","23.4395","0.0006","23.4395","0.0006","21.026","0.0008","90","","90","","120","","10004.2","0.5","100","2","100","","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C66 H105 Cl3 Co4 N3 O P3 -","- C66 H105 Cl3 Co4 N3 O P3 -","- C396 H630 Cl18 Co24 N18 O6 P18 -","6","0.333333","","Francis, Maria; Patra, Asutosh; Salam, Farsana Abdul; Ungur, Liviu; Schwarz, Björn; Roy, Sudipta","Isolation and oxygen activation of electron-rich CoII4O metallic clusters having a 3-fold symmetry","Chemical Communications","2025","61","38","6897","6900","10.1039/D4CC06550F","","","0.71073","MoKα","","0.0144","0.0143","","","0.0366","0.0368","","","","","","1.059","","","","has coordinates","300534","2025-07-06","13:38:02",""
"7134373","30.46","0.02","23.068","0.016","28.45","0.02","90","","90","","90","","19990","2","213","2","213","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C264 H192 Au3 Cl27 N48 Pd12 -","- C264 H192 Au3 Cl27 N48 Pd12 -","- C528 H384 Au6 Cl54 N96 Pd24 -","2","0.25","","Cao, Feng-Lin; Zhang, Ze-Sheng; Dong, Meng-Lin; Ning, Ye; Zhang, Wen-Hua; Mao, Yiming; Young, David J.","A high-entropy coordination cage featuring an Au-porphyrin metalloligand for the photodynamic therapy of liver cancer","Chemical Communications","2025","61","36","6663","6666","10.1039/D5CC00750J","","","0.71073","MoKα","","0.0888","0.0611","","","0.1295","0.136","","","","","","1.047","","","","has coordinates,has disorder","300500","2025-07-06","13:24:54",""
"7134374","13.9881","0.0004","13.1835","0.0004","14.3886","0.0004","90","","104.046","0.002","90","","2574.1","0.13","291","2","291","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 B F3 N O3 -","- C29 H27 B F3 N O3 -","- C116 H108 B4 F12 N4 O12 -","4","1","","Zhang, Tingting; Gui, Jinhai; Mo, Yu; Pu, Yuchuan; Zhao, Hongping; Liu, Yong; He, Chengyu","Cu-catalyzed borylative cyclization of N-(o-alkynylaryl)imines","Chemical Communications","2025","61","37","6799","6802","10.1039/D5CC00679A","","","1.54178","CuKα","","0.0815","0.0715","","","0.1777","0.1881","","","","","","1.04","","","","has coordinates","300417","2025-07-06","12:54:27",""
"7134375","8.8159","0.0013","14.0135","0.0017","18.159","0.003","90","","99.121","0.005","90","","2215","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H38 Cl2 N4 O2 S2 -","- C55 H38 Cl2 N4 O2 S2 -","- C110 H76 Cl4 N8 O4 S4 -","2","0.5","","Belmonte-Vázquez, José L; Cortes-Muñoz, Juan L; Romo-Pérez, Adriana; Rodríguez-Molina, Braulio; Jiménez-Sánchez, Arturo","ESIPT-driven imaging: a thiazole probe for lipid droplets and plasma membranes.","Chemical communications (Cambridge, England)","2025","61","26","5023","5026","10.1039/d4cc06049k","","","0.71073","MoKα","","0.142","0.055","","","0.099","0.1257","","","","","","1.004","","","","has coordinates,has disorder","298712","2025-04-04","04:58:37",""
"7134376","14.1667","0.0009","15.8384","0.001","18.0867","0.0011","90.711","0.002","97.321","0.002","110.931","0.002","3752.2","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C176 H180 Ag5 Cu5 F24 P6 S12 -","- C140 H96 Ag5 Cu5 F24 P6 S12 -","- C140 H96 Ag5 Cu5 F24 P6 S12 -","1","1","","Nong, Yan; Dai, Juefei; Yang, Chao; Su, Haifeng; Feng, Chengcheng; Shi, Chuanhua; Zhang, Zhixun; Yu, Xianyong; Zhang, Xueji; Yang, Huayan","Highly stable bidentate thiol-protected Ag5Cu4 nanoclusters: a stable catalyst for enhanced Knoevenagel condensation","Chemical Communications","2025","61","38","6933","6936","10.1039/D5CC00825E","","x-ray","0.71073","MoKα","","0.0933","0.0753","","","0.1845","0.1979","","","","","","0.975","","","","has coordinates","300532","2025-07-06","13:36:51",""
"7134377","14.1112","0.0019","15.576","0.002","21.554","0.003","96.62","0.003","104.668","0.004","111.928","0.003","4133.7","1","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C176 H180 Ag5 Cu5 F24 P6 S12 -","- C140 H96 Ag5 Cu5 F24 P6 S12 -","- C140 H96 Ag5 Cu5 F24 P6 S12 -","1","1","","Nong, Yan; Dai, Juefei; Yang, Chao; Su, Haifeng; Feng, Chengcheng; Shi, Chuanhua; Zhang, Zhixun; Yu, Xianyong; Zhang, Xueji; Yang, Huayan","Highly stable bidentate thiol-protected Ag5Cu4 nanoclusters: a stable catalyst for enhanced Knoevenagel condensation","Chemical Communications","2025","61","38","6933","6936","10.1039/D5CC00825E","","x-ray","0.71073","MoKα","","0.1215","0.0884","","","0.2083","0.2308","","","","","","1.038","","","","has coordinates","300532","2025-07-06","13:36:51",""
"7134378","36.4929","0.0003","42.8827","0.0002","31.3674","0.0002","90","","108.525","0.001","90","","46543.8","0.6","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C90 H592 Mo154 N10 Na6 O712 -","- C74.2 Mo153.972 N10.5 O633.6 -","- C148.4 Mo307.944 N21 O1267.2 -","2","0.5","","Guo, Haiyang; He, Donglin; Long, De-Liang; Cronin, Leroy","Robotic exploration of amino-acid functionalised molybdenum blue polyoxometalate nanoclusters","Chemical Communications","2025","61","39","7121","7124","10.1039/D5CC00703H","","x-ray","0.71073","MoKα","","0.0508","0.0377","","","0.1015","0.1077","","","","","","1.033","","","","has coordinates","300450","2025-07-06","13:08:10",""
"7134379","46.7285","0.0002","44.1396","0.0003","47.1586","0.0002","90","","90","","90","","97268.3","0.9","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C81 H687 Mo154 N9 Na4 O762 -","- C13 Mo152.4 N3 Na0.5 O605.9 -","- C52 Mo609.6 N12 Na2 O2423.6 -","4","1","","Guo, Haiyang; He, Donglin; Long, De-Liang; Cronin, Leroy","Robotic exploration of amino-acid functionalised molybdenum blue polyoxometalate nanoclusters","Chemical Communications","2025","61","39","7121","7124","10.1039/D5CC00703H","","x-ray","0.71073","MoKα","","0.0802","0.0521","","","0.1274","0.1505","","","","","","1.046","","","","has coordinates,has disorder","300450","2025-07-06","13:08:11",""
"7134380","30.4172","0.0002","34.0113","0.0002","46.8336","0.0002","93.901","0.001","94.711","0.001","95.166","0.001","47951.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H1332 Mo308 N14 Na12 O1519 -","- C28 Mo304.88 N8 O1102.4 -","- C28 Mo304.88 N8 O1102.4 -","1","0.5","","Guo, Haiyang; He, Donglin; Long, De-Liang; Cronin, Leroy","Robotic exploration of amino-acid functionalised molybdenum blue polyoxometalate nanoclusters","Chemical Communications","2025","61","39","7121","7124","10.1039/D5CC00703H","","x-ray","0.71073","MoKα","","0.0722","0.0509","","","0.1427","0.1578","","","","","","1.025","","","","has coordinates,has disorder","300450","2025-07-06","13:08:11",""
"7134381","30.3874","0.0001","56.1686","0.0002","50.1012","0.0002","90","","90","","90","","85513.6","0.5","150","2","150","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C54 H595 Mo154 N6 Na11 O730 -","- C25.2 Mo154 N4.6 Na7.1 O654 -","- C100.8 Mo616 N18.4 Na28.4 O2616 -","4","0.5","","Guo, Haiyang; He, Donglin; Long, De-Liang; Cronin, Leroy","Robotic exploration of amino-acid functionalised molybdenum blue polyoxometalate nanoclusters","Chemical Communications","2025","61","39","7121","7124","10.1039/D5CC00703H","","x-ray","0.71073","MoKα","","0.0384","0.0309","","","0.0823","0.0862","","","","","","1.031","","","","has coordinates,has disorder","300450","2025-07-06","13:08:11",""
"7134382","6.1767","0.0001","12.3479","0.0002","23.1083","0.0003","90","","96.222","0.001","90","","1752.07","0.05","302","2","302","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Si -","- C23 H18 Si -","- C92 H72 Si4 -","4","1","","Mu, Delong; Zhu, Xinrui; Chen, Jiean","Facile synthesis of 1-silaacenaphthenes by transition metal-catalyzed intramolecular C(sp3)–H silylation","Chemical Communications","2025","61","39","7073","7076","10.1039/D5CC00967G","","","1.54184","CuKα","","0.0432","0.0413","","","0.1158","0.1173","","","","","","1.061","","","","has coordinates","300447","2025-07-06","13:05:35",""
"7134383","10.0643","0.0019","8.1662","0.0015","28.399","0.005","90","","99.579","0.005","90","","2301.5","0.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N O3 P -","- C27 H26 N O3 P -","- C108 H104 N4 O12 P4 -","4","1","","Ghosh, Palash; Das, Pralay; Mainkar, Prathama S.; Madhavachary, Rudrakshula; Chandrasekhar, Srivari","Harnessing phosphorus-centered radicals for the synthesis of cyclopenta[b]indole and pyrrolo[1,2-a]indole frameworks","Chemical Communications","2025","61","43","7807","7810","10.1039/D5CC00906E","","","0.71073","MoKα","","0.0724","0.0439","","","0.0993","0.1133","","","","","","1.02","","","","has coordinates","300442","2025-07-06","13:04:02",""
"7134384","10.8075","0.0005","27.3498","0.0015","7.4467","0.0005","90","","90","","90","","2201.1","0.2","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C2 H7 N5 O2 -","- C2 H7 N5 O2 -","- C32 H112 N80 O32 -","16","1","","Yadav, Abhishek Kumar; Ghule, Vikas D.; Dharavath, Srinivas","Revisiting the sensitive nature of H-FOX: interplay of nitro and hydrazine functionalities to construct an insensitive energetic material","Chemical Communications","2025","61","38","6901","6904","10.1039/D5CC01332A","","","0.71073","MoKα","","0.0316","0.0313","","","0.0839","0.0843","","","","","","1.07","","","","has coordinates","300531","2025-07-06","13:36:26",""
"7134385","12.6352","0.0009","6.4448","0.0004","20.921","0.0016","90","","106.627","0.003","90","","1632.4","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H38 Cl2 N O5 P -","- C36 H38 Cl2 N O5 P -","- C72 H76 Cl4 N2 O10 P2 -","2","1","","Mondal, Anirban; Dašková, Vanda; Chen, Xiaobing; Thiel, Niklas O.; Alachouzos, Georgios; Feringa, Ben L.","Diastereoselective C(sp3)–H acetoxylation of phosphoramidites","Chemical Communications","2025","61","35","6510","6513","10.1039/D5CC00550G","","","0.71073","MoKα","","0.0601","0.0456","","","0.1008","0.1088","","","","","","1.028","","","","has coordinates","300507","2025-07-06","13:27:19",""
"7134386","6.3279","0.0001","8.1376","0.0001","25.4842","0.0001","90","","90","","90","","1312.28","0.03","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aR,4bR)-3,4a-dimethyl-4a,4b,5,6,7,8-hexahydrophenanthrene-1,4-dione","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","1","","Pomikło, Dominika; Romaniuk, Krzysztof; Sieroń, Lesław; Albrecht, Anna","Electroorganocatalytic asymmetric Diels–Alder cycloaddition of hydroquinones with α,β-unsaturated aldehydes","Chemical Communications","2025","61","36","6655","6658","10.1039/D5CC00505A","","x-ray","1.54184","CuKα","","0.0241","0.0241","","","0.0625","0.0625","","","","","","1.086","","","","has coordinates","300499","2025-07-06","13:24:30",""
"7134387","7.1976","0.0004","23.2687","0.0013","24.5001","0.0012","90","","90","","90","","4103.2","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O -","- C24 H26 N2 O -","- C192 H208 N16 O8 -","8","2","","Wu, Shuaijie; Xu, Shiji; He, Yanru; Sun, Jing; Jiang, Wei; Yan, Chao-Guo; Hu, Weiming; Wang, Lei","Palladium-catalysed alleneamination of γ,δ-unsaturated hydrazones with propargylic acetates: access to tetrahydropyridazines bearing allenes","Chemical Communications","2025","61","36","6647","6650","10.1039/D4CC06716A","","","0.71073","MoKα","","0.146","0.0585","","","0.0885","0.1091","","","","","","1.028","","","","has coordinates","300501","2025-07-06","13:25:08",""
"7134388","10.8696","0.0003","7.5409","0.0002","24.336","0.0005","90","","90","","90","","1994.74","0.09","123","0.1","123","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H5 As Mo O2 P2 -","- C7 H5 As Mo O2 P2 -","- C56 H40 As8 Mo8 O16 P16 -","8","1","","Zimmermann, Lisa; Land, Michael A.; Riesinger, Christoph; Macdonald, Charles L. B.; Scheer, Manfred","Synthesis of heteropnictogen ligands via PI transfer","Chemical Communications","2025","61","38","6973","6976","10.1039/D5CC01162K","","x-ray","0.71073","MoKα","","0.0457","0.0344","","","0.0796","0.0834","","","","","","1.086","","","","has coordinates,has disorder","300533","2025-07-06","13:37:22",""
"7134389","6.1295","0.0001","11.3835","0.0001","14.6754","0.0002","90","","96.459","0.001","90","","1017.48","0.02","123","0.1","123","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Mo O2 P2.42 Sb0.58 -","- C7 H5 Mo O2 P2.421 Sb0.579 -","- C28 H20 Mo4 O8 P9.684 Sb2.316 -","4","1","","Zimmermann, Lisa; Land, Michael A.; Riesinger, Christoph; Macdonald, Charles L. B.; Scheer, Manfred","Synthesis of heteropnictogen ligands via PI transfer","Chemical Communications","2025","61","38","6973","6976","10.1039/D5CC01162K","","x-ray","0.71073","MoKα","","0.0279","0.0229","","","0.0469","0.0479","","","","","","1.141","","","","has coordinates,has disorder","300533","2025-07-06","13:37:24",""
"7134390","18.8305","0.0005","20.6156","0.0005","20.0687","0.0006","90","","113.556","0.004","90","","7141.5","0.4","123.01","0.1","123.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C67 H37 As2 B F24 Mo5 O10 P2 -","- C67 H37 As2 B F24 Mo5 O10 P2 -","- C268 H148 As8 B4 F96 Mo20 O40 P8 -","4","1","","Zimmermann, Lisa; Land, Michael A.; Riesinger, Christoph; Macdonald, Charles L. B.; Scheer, Manfred","Synthesis of heteropnictogen ligands via PI transfer","Chemical Communications","2025","61","38","6973","6976","10.1039/D5CC01162K","","","0.71073","MoKα","","0.0814","0.0471","","","0.1078","0.1192","","","","","","1.042","","","","has coordinates,has disorder","300533","2025-07-06","13:37:24",""
"7134391","18.9232","0.0002","20.718","0.0002","20.1171","0.0002","90","","113.323","0.001","90","","7242.47","0.14","123","0.1","123","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C67 H37 B F24 Mo5 O10 P2 Sb2 -","- C67 H37 B F24 Mo5 O10 P2 Sb2 -","- C268 H148 B4 F96 Mo20 O40 P8 Sb8 -","4","1","","Zimmermann, Lisa; Land, Michael A.; Riesinger, Christoph; Macdonald, Charles L. B.; Scheer, Manfred","Synthesis of heteropnictogen ligands via PI transfer","Chemical Communications","2025","61","38","6973","6976","10.1039/D5CC01162K","","x-ray","1.54184","CuKα","","0.0508","0.0419","","","0.1129","0.1181","","","","","","1.06","","","","has coordinates,has disorder","300533","2025-07-06","13:37:24",""
"7134392","6.422","","9.473","","21.111","","90","","95.15","","90","","1279.12","","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H28 Cl N S2 -","- C24.34 H26.02 Cl N S2 -","- C48.68 H52.04 Cl2 N2 S4 -","2","1","","Zhou, Jie; Chen, Zhizheng; Nie, Mengna; Li, Wenhao; Tong, Wen-Yan; Wei, Haonan; Yan, Hang; Gao, Qianwen; Qu, Shuanglin; Wang, Xi","Nickel-catalyzed enantioselective reductive iminodisulfuration of alkene-tethered oxime esters with dithiosulfonate","Chemical Communications","2025","61","40","7329","7332","10.1039/D5CC01654A","","","1.54178","CuKα","","0.1772","0.1292","","","0.3027","0.3429","","","","","","1.131","","","","has coordinates,has disorder","300488","2025-07-06","13:20:56",""
"7134393","17.4227","0.0006","9.8519","0.0003","13.1335","0.0003","90","","97.198","0.003","90","","2236.56","0.12","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 I N -","- C25 H34 I N -","- C100 H136 I4 N4 -","4","1","","Kolařík, Václav; Hromádková, Aneta; Knirsch, Adam; Prucková, Zdeňka; Janovský, Petr; Rouchal, Michal; Ward, Jas S.; Rissanen, Kari; Vícha, Robert","Metal cations switch geometry of β-cyclodextrin complexes","Chemical Communications","2025","61","39","7077","7080","10.1039/D5CC00868A","","x-ray","1.54184","CuKα","","0.0664","0.0522","","","0.1389","0.1468","","","","","","1.077","","","","has coordinates,has disorder","300446","2025-07-06","13:05:18",""
"7134394","42.2883","0.0016","9.4126","0.0002","9.1436","0.0002","90","","90","","90","","3639.54","0.18","120","0.1","120","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C21 H26 Cl N O -","- C21 H26 Cl N O -","- C168 H208 Cl8 N8 O8 -","8","1","","Kolařík, Václav; Hromádková, Aneta; Knirsch, Adam; Prucková, Zdeňka; Janovský, Petr; Rouchal, Michal; Ward, Jas S.; Rissanen, Kari; Vícha, Robert","Metal cations switch geometry of β-cyclodextrin complexes","Chemical Communications","2025","61","39","7077","7080","10.1039/D5CC00868A","","x-ray","1.54184","CuKα","","0.0934","0.0519","","","0.1161","0.1343","","","","","","1.01","","","","has coordinates","300446","2025-07-06","13:05:19",""
"7134395","12.498","0.0003","11.2458","0.0002","31.4625","0.0007","90","","90","","90","","4422.05","0.16","120.01","0.1","120.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H32 I N O -","- C24 H32 I N O -","- C192 H256 I8 N8 O8 -","8","1","","Kolařík, Václav; Hromádková, Aneta; Knirsch, Adam; Prucková, Zdeňka; Janovský, Petr; Rouchal, Michal; Ward, Jas S.; Rissanen, Kari; Vícha, Robert","Metal cations switch geometry of β-cyclodextrin complexes","Chemical Communications","2025","61","39","7077","7080","10.1039/D5CC00868A","","x-ray","1.54184","CuKα","","0.0817","0.0731","","","0.1536","0.1569","","","","","","1.209","","","","has coordinates,has disorder","300446","2025-07-06","13:05:19",""
"7134396","23.556","0.004","5.9633","0.0007","21.912","0.003","90","","108.089","0.015","90","","2925.9","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Br O -","- C17 H15 Br O -","- C136 H120 Br8 O8 -","8","1","","Mondal, Subhashis; Pramanik, Shyamal; Maity, Soumitra","Thiocyanate: a visible-light-driven traceless auxiliary for stereoselective cyclopropyl ketone construction","Chemical Communications","2025","61","44","7999","8002","10.1039/D5CC01495F","","","0.71073","MoKα","","0.1006","0.0414","","","0.0901","0.1041","","","","","","1.014","","","","has coordinates","300414","2025-07-06","12:53:01",""
"7134397","10.5319","0.0014","6.0342","0.0008","30.383","0.004","90","","93.08","0.005","90","","1928.1","0.4","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C100 H92 N4 O8 -","4","1","","Chai, Yi-Xin; Yang, Yu-Fan; Zhang, Feng-Yu; Zhao, Ji-Yan; Wang, Ya-Ting; Chen, Yanmei; Sun, Yuan-Yuan; Li, Jin-Heng; Zhu, Yan-Ping","Palladium/norbornene cooperative catalysis triple functionalization: carbamoylation/double-annulation of (hetero)aryl iodides","Chemical Communications","2025","61","39","7133","7136","10.1039/D5CC00294J","","","0.71073","MoKα","","0.0613","0.0478","","","0.1116","0.1199","","","","","","1.0727","","","","has coordinates","300448","2025-07-06","13:05:57",""
"7134398","8.6441","0.0015","11.7421","0.0019","24.791","0.005","90","","90","","90","","2516.3","0.8","302","2","302","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Cl F2 I N O -","- C12 H9 Cl F2 I N O -","- C96 H72 Cl8 F16 I8 N8 O8 -","8","1","","Sharma, Ruchi; Sihag, Naveen; Gupta, Poorvi; Manna, Kuntal; Yadav, M. Ramu","Photoinduced Ni-catalyzed carbohalogenation of monofluoro, gem-difluoro, and trifluoromethyl tethered alkenes","Chemical Communications","2025","61","40","7273","7276","10.1039/D5CC01034A","","","0.71073","MoKα","","0.0514","0.0482","","","0.1251","0.1269","","","","","","1.141","","","","has coordinates,has disorder","300487","2025-07-06","13:20:44",""
"7134399","8.28658","0.00018","12.189","0.0002","12.0734","0.0003","90","","94.993","0.002","90","","1214.85","0.04","299.99","0.18","299.99","0.18","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10.9 H8.8 F3 I0.94 N O -","- C10.9 H8.8 F3 I0.944 N O -","- C43.6 H35.2 F12 I3.776 N4 O4 -","4","1","","Sharma, Ruchi; Sihag, Naveen; Gupta, Poorvi; Manna, Kuntal; Yadav, M. Ramu","Photoinduced Ni-catalyzed carbohalogenation of monofluoro, gem-difluoro, and trifluoromethyl tethered alkenes","Chemical Communications","2025","61","40","7273","7276","10.1039/D5CC01034A","","x-ray","1.54184","CuKα","","0.09","0.0879","","","0.2539","0.2567","","","","","","1.03","","","","has coordinates,has disorder","300487","2025-07-06","13:20:45",""
"7134400","13.1305","0.0004","11.7122","0.0002","16.4642","0.0004","90","","112.747","0.003","90","","2335.05","0.11","297.06","0.1","297.06","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 F I N O -","- C11 H11 F I N O -","- C88 H88 F8 I8 N8 O8 -","8","2","","Sharma, Ruchi; Sihag, Naveen; Gupta, Poorvi; Manna, Kuntal; Yadav, M. Ramu","Photoinduced Ni-catalyzed carbohalogenation of monofluoro, gem-difluoro, and trifluoromethyl tethered alkenes","Chemical Communications","2025","61","40","7273","7276","10.1039/D5CC01034A","","","1.54184","CuKα","","0.1131","0.105","","","0.2914","0.2995","","","","","","1.2405","","","","has coordinates,has disorder","300487","2025-07-06","13:20:45",""
"7134401","5.6306","0.0007","10.8781","0.0014","11.2166","0.0016","116.604","0.005","95.399","0.005","96.893","0.005","601.32","0.14","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O -","- C16 H13 N O -","- C32 H26 N2 O2 -","2","1","","Liu, Yu-Chao; Cao, Dun-Xu; Ban, Qi-Yang; Ma, Wen-Jie; Xiao, Bin","Catalytic acceptorless dehydrogenation of alcohols using cobalt(i) pincer complexes supported by a P–GeH–P ligand","Chemical Communications","2025","61","38","6917","6920","10.1039/D5CC01050K","","","1.34139","GaKα","","0.1353","0.0761","","","0.1882","0.2341","","","","","","1.042","","","","has coordinates","300530","2025-07-06","13:36:15",""
"7134402","10.7973","0.0005","11.7778","0.0006","14.3651","0.0007","89.199","0.002","83.702","0.002","87.712","0.002","1814.23","0.15","190","","190","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H28 Cl Co Ge O2 P2 -","- C38 H28 Cl Co Ge O2 P2 -","- C76 H56 Cl2 Co2 Ge2 O4 P4 -","2","1","","Liu, Yu-Chao; Cao, Dun-Xu; Ban, Qi-Yang; Ma, Wen-Jie; Xiao, Bin","Catalytic acceptorless dehydrogenation of alcohols using cobalt(i) pincer complexes supported by a P–GeH–P ligand","Chemical Communications","2025","61","38","6917","6920","10.1039/D5CC01050K","","","0.71073","MoKα","","0.0604","0.041","","","0.1133","0.1231","","","","","","0.985","","","","has coordinates","300530","2025-07-06","13:36:16",""
"7134403","10.2474","0.0004","13.9407","0.0004","23.4568","0.0009","90","","99.028","0.002","90","","3309.4","0.2","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H31 Co Ge O2 P2 -","- C39 H31 Co Ge O2 P2 -","- C156 H124 Co4 Ge4 O8 P8 -","4","1","","Liu, Yu-Chao; Cao, Dun-Xu; Ban, Qi-Yang; Ma, Wen-Jie; Xiao, Bin","Catalytic acceptorless dehydrogenation of alcohols using cobalt(i) pincer complexes supported by a P–GeH–P ligand","Chemical Communications","2025","61","38","6917","6920","10.1039/D5CC01050K","","","1.34139","GaKα","","0.0513","0.0327","","","0.0681","0.075","","","","","","1.013","","","","has coordinates","300530","2025-07-06","13:36:16",""
"7134404","10.4565","0.0005","14.8378","0.0007","10.8171","0.0005","90","","93.354","0.003","90","","1675.41","0.14","213","","213","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H29 Co Ge O2 P2 -","- C38 H29 Co Ge O2 P2 -","- C76 H58 Co2 Ge2 O4 P4 -","2","1","","Liu, Yu-Chao; Cao, Dun-Xu; Ban, Qi-Yang; Ma, Wen-Jie; Xiao, Bin","Catalytic acceptorless dehydrogenation of alcohols using cobalt(i) pincer complexes supported by a P–GeH–P ligand","Chemical Communications","2025","61","38","6917","6920","10.1039/D5CC01050K","","","1.34139","GaKα","","0.0775","0.0601","","","0.1515","0.1636","","","","","","1.007","","","","has coordinates","300530","2025-07-06","13:36:16",""
"7134405","11.028","0.0004","12.8596","0.0004","12.8744","0.0003","95.058","0.002","113.143","0.003","108.781","0.003","1540.38","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H30 Ge P2 -","- C36 H30 Ge P2 -","- C72 H60 Ge2 P4 -","2","1","","Liu, Yu-Chao; Cao, Dun-Xu; Ban, Qi-Yang; Ma, Wen-Jie; Xiao, Bin","Catalytic acceptorless dehydrogenation of alcohols using cobalt(i) pincer complexes supported by a P–GeH–P ligand","Chemical Communications","2025","61","38","6917","6920","10.1039/D5CC01050K","","x-ray","1.54184","CuKα","","0.0325","0.03","","","0.0833","0.0858","","","","","","1.04","","","","has coordinates","300530","2025-07-06","13:36:16",""
"7134406","17.7001","0.0003","29.4982","0.0006","34.4252","0.0006","90","","90.631","0.002","90","","17973","0.6","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C168 H136 Cl16 Co4 N32 -","- C168 H136 Cl16 Co4 N32 -","- C672 H544 Cl64 Co16 N128 -","4","1","","Lu, Ke; Chen, Yu-Xiao; Hu, Jie-Sheng; Liu, Zhi-Kun; Shi, Xin-Li; Yu, Meng; Starikova, Alyona A.; Tao, Jun","Spin-state modulation by host–guest chemistry with cucurbiturils","Chemical Communications","2025","61","39","7137","7140","10.1039/D5CC00979K","","","0.71073","MoKα","","0.1182","0.088","","","0.2314","0.2467","","","","","","0.991","","","","has coordinates","300449","2025-07-06","13:06:27",""
"7134407","9.5832","0.0008","12.5689","0.001","16.4854","0.0013","68.806","0.003","87.073","0.003","80.317","0.003","1824.9","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H29 Cd2 N3 O9 -","- C42 H29 Cd2 N3 O9 -","- C84 H58 Cd4 N6 O18 -","2","1","","Povarov, Svyatoslav A.; Iukhnevich, Ekaterina D.; Alekseevskiy, Pavel V.; Pavlov, Dmitry I.; Potapov, Andrei S.; Yushina, Irina D.; Milichko, Valentin A.; Kulakova, Alena N.","Co-ligand tuning of MOF structural anisotropy for giant optical birefringence","Chemical Communications","2025","61","44","8047","8050","10.1039/D5CC01224D","","","0.71073","MoKα","","0.0768","0.0452","","","0.0759","0.086","","","","","","0.986","","","","has coordinates","300413","2025-07-06","12:52:45",""
"7134408","9.5713","0.0007","12.6619","0.0008","16.6423","0.0009","68.088","0.002","86.824","0.002","80.224","0.002","1843.9","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H30 Cd2 N2 O9 -","- C43 H30 Cd2 N2 O9 -","- C86 H60 Cd4 N4 O18 -","2","1","","Povarov, Svyatoslav A.; Iukhnevich, Ekaterina D.; Alekseevskiy, Pavel V.; Pavlov, Dmitry I.; Potapov, Andrei S.; Yushina, Irina D.; Milichko, Valentin A.; Kulakova, Alena N.","Co-ligand tuning of MOF structural anisotropy for giant optical birefringence","Chemical Communications","2025","61","44","8047","8050","10.1039/D5CC01224D","","","0.71073","MoKα/","","0.0778","0.0474","","","0.0809","0.0896","","","","","","1.027","","","","has coordinates","300413","2025-07-06","12:52:46",""
"7134409","8.8208","0.0004","9.4521","0.0006","33.3336","0.0017","82.639","0.002","89.466","0.002","71.506","0.002","2612.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H50 Cd2 N6 O11 -","- C60 H50 Cd2 N6 O11 -","- C120 H100 Cd4 N12 O22 -","2","1","","Povarov, Svyatoslav A.; Iukhnevich, Ekaterina D.; Alekseevskiy, Pavel V.; Pavlov, Dmitry I.; Potapov, Andrei S.; Yushina, Irina D.; Milichko, Valentin A.; Kulakova, Alena N.","Co-ligand tuning of MOF structural anisotropy for giant optical birefringence","Chemical Communications","2025","61","44","8047","8050","10.1039/D5CC01224D","","","0.71073","MoKα","","0.0666","0.0431","","","0.0858","0.0953","","","","","","1.001","","","","has coordinates,has disorder","300413","2025-07-06","12:52:46",""
"7134410","8.9771","0.0003","9.6445","0.0003","9.7174","0.0002","95.806","0.002","115.504","0.003","93.64","0.002","750.06","0.04","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- Cs Ga5 Mg S9 -","- Cs Ga5 Mg S9 -","- Cs2 Ga10 Mg2 S18 -","2","2","","Huang, Yi-Bing; Liu, Bin-Wen; Guo, Guo-Cong","CsMgGa5S9: a diamond-like network made of mixed tetrahedral units for excellent nonlinear optical properties","Chemical Communications","2025","61","42","7608","7611","10.1039/D5CC00203F","","","0.71073","MoKα","","0.0408","0.0388","","","0.0966","0.0978","","","","","","1.047","","","","has coordinates","300443","2025-07-06","13:04:15",""
"7134411","12.3904","0.0009","14.3475","0.0011","16.448","0.0013","90","","96.858","0.003","90","","2903.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 O12 Os3 -","- C27 H17 O12 Os3 -","- C108 H68 O48 Os12 -","4","1","","Liang, Xin; Gulyas, Balasz; Palanivel, Mathangi; Leong, Weng Kee","A triosmium carbonyl cluster that inhibits α-synuclein aggregation and disassembles preformed aggregates","Chemical Communications","2025","61","41","7446","7449","10.1039/D5CC01141H","","","0.71073","MoKα","","0.1178","0.0494","","","0.075","0.0927","","","","","","1.017","","","","has coordinates,has disorder","300419","2025-07-06","12:54:52",""
"7134412","12.7462","0.0015","9.1384","0.001","15.0589","0.0017","90","","95.183","0.004","90","","1746.9","0.3","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O S -","- C23 H16 O S -","- C92 H64 O4 S4 -","4","1","","Yan, Kelu; Sun, Yuhang; Wen, Jiangwei; Li, Qiuyun; Yu, Xinming; Shang, Wenxu; Wang, Xiu","Synthesis of 1H-isothiochromenes by regioselective C–C and C–S bond formation of enaminothiones with alkynes under rhodium catalysis","Chemical Communications","2025","61","41","7482","7485","10.1039/D5CC01269D","","","0.71073","MoKα","","0.0529","0.0403","","","0.1094","0.1182","","","","","","1.045","","","","has coordinates","300421","2025-07-06","12:55:27",""
"7134413","15.9209","0.0003","13.7113","0.0002","22.3081","0.0003","90","","90","","90","","4869.77","0.13","293","0.13","293","0.13","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H26 I N O4 -","- C26 H26 I N O4 -","- C208 H208 I8 N8 O32 -","8","1","","He, Jingrui; Zhou, Xinrui; Mei, Haibo; Makarem, Ata; Javahershenas, Ramin; Soloshonok, Vadim A.; Han, Jianlin","Electrochemical reaction of indole-tethered alkynes enabling stereoselective synthesis of iodovinyl spiroindolenine-cyclopentanes","Chemical Communications","2025","61","41","7454","7457","10.1039/D5CC01342A","","x-ray","1.54184","CuKα","","0.0607","0.0543","","","0.1344","0.1377","","","","","","1.155","","","","has coordinates","300420","2025-07-06","12:55:16",""
"7134414","24.3399","0.0015","12.3406","0.0008","14.444","0.001","90","","120.693","0.002","90","","3730.8","0.4","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C176 H168 N8 O16 -","8","1","","Lu, Jin-Bo; Wang, Yi-Fan; Xu, Xue-Ting; Wang, Bing-Xia; Liang, Ren-Xiao; Jia, Yi-Xia","Dearomative 1,6-enyne cycloisomerization of alkyne-tethered benzofurans and indoles via a 6-endo-dig cyclization","Chemical Communications","2025","61","42","7616","7619","10.1039/D5CC00866B","","","1.34139","GaKα","","0.0798","0.0669","","","0.1699","0.1765","","","","","","1.105","","","","has coordinates,has disorder","300445","2025-07-06","13:04:44",""
"7134415","12.3912","0.0006","11.2049","0.0006","16.6414","0.0009","90","","91.031","0.002","90","","2310.2","0.2","169","2","169","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N2 O2 -","- C28 H30 N2 O2 -","- C112 H120 N8 O8 -","4","1","","Lu, Jin-Bo; Wang, Yi-Fan; Xu, Xue-Ting; Wang, Bing-Xia; Liang, Ren-Xiao; Jia, Yi-Xia","Dearomative 1,6-enyne cycloisomerization of alkyne-tethered benzofurans and indoles via a 6-endo-dig cyclization","Chemical Communications","2025","61","42","7616","7619","10.1039/D5CC00866B","","","1.54178","CuKα","","0.0467","0.0443","","","0.1123","0.1145","","","","","","1.073","","","","has coordinates","300445","2025-07-06","13:04:54",""
"7134416","9.3265","0.0007","16.1716","0.0011","11.842","0.0008","90","","92.342","0.002","90","","1784.6","0.2","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","BDN 390","","- C24 H15 N O2 -","- C24 H15 N O2 -","- C96 H60 N4 O8 -","4","1","","Debnath, Bijoy; Mandal, Santu; Saha, Sharajit; Karjee, Pallab; Punniyamurthy, Tharmalingam","Rh-catalyzed [3+3]-annulation of quinolines with cyclopropenones: access to functionalized 2-quinolones","Chemical Communications","2025","61","43","7875","7878","10.1039/D5CC01183C","","","0.71073","MoKα","","0.0913","0.0589","","","0.1293","0.1553","","","","","","1.089","","","","has coordinates","300435","2025-07-06","13:01:59",""
"7134417","6.918","0.0007","16.8553","0.0017","29.099","0.003","90","","90","","90","","3393.1","0.6","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","BDN_541","","- C24 H17 N O -","- C24 H17 N O -","- C192 H136 N8 O8 -","8","1","","Debnath, Bijoy; Mandal, Santu; Saha, Sharajit; Karjee, Pallab; Punniyamurthy, Tharmalingam","Rh-catalyzed [3+3]-annulation of quinolines with cyclopropenones: access to functionalized 2-quinolones","Chemical Communications","2025","61","43","7875","7878","10.1039/D5CC01183C","","","0.71073","MoKα","","0.1169","0.0591","","","0.0999","0.1247","","","","","","1.11","","","","has coordinates","300435","2025-07-06","13:01:59",""
"7134418","11.6289","0.0006","11.6771","0.0005","22.39","0.0014","97.483","0.002","90.784","0.002","90.022","0.002","3014.2","0.3","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H64 Br8 N4 Pb2 -","- C56 H64 Br8 N4 Pb2 -","- C112 H128 Br16 N8 Pb4 -","2","1","","Liu, Qingxiang; Wu, Xinan; Coffey, Aidan H.; Yang, Hanjun; Park, Jee Yung; Hu, Qixuan; Ma, Ke; Zhu, Chenhui; Zhao, Yong Sheng; Dou, Letian; Wang, Kang","Spacer cation enabled dimension control for efficient and wavelength-tunable blue perovskite light-emitting diodes","Chemical Communications","2025","61","42","7644","7647","10.1039/D5CC01292A","","","0.71073","MoKα","","0.1472","0.088","","","0.289","0.335","","","","","","1.051","","","","has coordinates,has disorder","300444","2025-07-06","13:04:29",""
"7134419","9.4671","0.0008","13.1364","0.0011","15.9602","0.0014","75.787","0.003","89.627","0.003","75.979","0.003","1863.8","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H72 Cd2 N4 O8 -","- C96 H72 Cd2 N4 O8 -","- C96 H72 Cd2 N4 O8 -","1","0.5","","Kurakula, Uma; Naaz, Sanobar; Roy, Sourav; Khan, Samim; Puthan Peedikakkal, Abdul Malik; Medishetty, Raghavender; Mir, Mohammad Hedayetullah","Light-driven structural transformations in isotypical Cd(ii) complexes: stereoselectivity and photosalient motion","Chemical Communications","2025","61","41","7494","7497","10.1039/D5CC01076D","","x-ray","0.71073","MoKα","","0.0294","0.0275","","","0.0699","0.0713","","","","","","1.054","","","","has coordinates","300423","2025-07-06","12:56:36",""
"7134420","10.0275","0.0008","13.3466","0.0009","15.3424","0.001","82.544","0.002","79.682","0.003","86.948","0.003","2002.1","0.2","127","2","127","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H34 Cd Cl2 N2 O4 -","- C48 H34 Cd Cl2 N2 O4 -","- C96 H68 Cd2 Cl4 N4 O8 -","2","1","","Kurakula, Uma; Naaz, Sanobar; Roy, Sourav; Khan, Samim; Puthan Peedikakkal, Abdul Malik; Medishetty, Raghavender; Mir, Mohammad Hedayetullah","Light-driven structural transformations in isotypical Cd(ii) complexes: stereoselectivity and photosalient motion","Chemical Communications","2025","61","41","7494","7497","10.1039/D5CC01076D","","","0.71073","MoKα","","0.0401","0.0297","","","0.0647","0.0682","","","","","","1.026","","","","has coordinates,has disorder","300423","2025-07-06","12:56:36",""
"7134421","9.9999","0.0005","13.5052","0.0008","15.3052","0.0009","81.589","0.002","80.261","0.002","86.058","0.002","2013.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H34 Br2 Cd N2 O4 -","- C48 H34 Br2 Cd N2 O4 -","- C96 H68 Br4 Cd2 N4 O8 -","2","1","","Kurakula, Uma; Naaz, Sanobar; Roy, Sourav; Khan, Samim; Puthan Peedikakkal, Abdul Malik; Medishetty, Raghavender; Mir, Mohammad Hedayetullah","Light-driven structural transformations in isotypical Cd(ii) complexes: stereoselectivity and photosalient motion","Chemical Communications","2025","61","41","7494","7497","10.1039/D5CC01076D","","","0.71073","MoKα","","0.0409","0.0307","","","0.068","0.0724","","","","","","1.042","","","","has coordinates,has disorder","300423","2025-07-06","12:56:36",""
"7134422","9.4813","0.001","12.7868","0.0014","16.4751","0.0018","108.737","0.003","90.68","0.004","101.439","0.004","1847.8","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H72 Cd2 N4 O8 -","- C96 H72 Cd2 N4 O8 -","- C96 H72 Cd2 N4 O8 -","1","0.5","","Kurakula, Uma; Naaz, Sanobar; Roy, Sourav; Khan, Samim; Puthan Peedikakkal, Abdul Malik; Medishetty, Raghavender; Mir, Mohammad Hedayetullah","Light-driven structural transformations in isotypical Cd(ii) complexes: stereoselectivity and photosalient motion","Chemical Communications","2025","61","41","7494","7497","10.1039/D5CC01076D","","","0.71073","MoKα","","0.051","0.0439","","","0.105","0.1085","","","","","","1.091","","","","has coordinates","300423","2025-07-06","12:56:36",""
"7134423","9.9972","0.0009","13.3335","0.0013","15.2941","0.0014","82.257","0.003","83.648","0.004","87.075","0.003","2006.3","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H34 Cd Cl2 N2 O4 -","- C48 H34 Cd Cl2 N2 O4 -","- C96 H68 Cd2 Cl4 N4 O8 -","2","1","","Kurakula, Uma; Naaz, Sanobar; Roy, Sourav; Khan, Samim; Puthan Peedikakkal, Abdul Malik; Medishetty, Raghavender; Mir, Mohammad Hedayetullah","Light-driven structural transformations in isotypical Cd(ii) complexes: stereoselectivity and photosalient motion","Chemical Communications","2025","61","41","7494","7497","10.1039/D5CC01076D","","","0.71073","MoKα","","0.0585","0.0388","","","0.0754","0.0815","","","","","","1.017","","","","has coordinates","300423","2025-07-06","12:56:36",""
"7134424","11.1738","0.0007","11.5824","0.0008","15.6194","0.0011","105","0.002","97.655","0.002","93.633","0.002","1925","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H68 Br4 Cd2 N4 O8 -","- C96 H68 Br4 Cd2 N4 O8 -","- C96 H68 Br4 Cd2 N4 O8 -","1","0.5","","Kurakula, Uma; Naaz, Sanobar; Roy, Sourav; Khan, Samim; Puthan Peedikakkal, Abdul Malik; Medishetty, Raghavender; Mir, Mohammad Hedayetullah","Light-driven structural transformations in isotypical Cd(ii) complexes: stereoselectivity and photosalient motion","Chemical Communications","2025","61","41","7494","7497","10.1039/D5CC01076D","","","0.71073","MoKα","","0.0279","0.0242","","","0.061","0.0629","","","","","","1.043","","","","has coordinates","300423","2025-07-06","12:56:36",""
"7134425","9.9893","0.0012","13.4359","0.0014","15.3143","0.0018","81.433","0.004","84.652","0.004","86.378","0.004","2021.1","0.4","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H34 Br2 Cd N2 O4 -","- C48 H34 Br2 Cd N2 O4 -","- C96 H68 Br4 Cd2 N4 O8 -","2","1","","Kurakula, Uma; Naaz, Sanobar; Roy, Sourav; Khan, Samim; Puthan Peedikakkal, Abdul Malik; Medishetty, Raghavender; Mir, Mohammad Hedayetullah","Light-driven structural transformations in isotypical Cd(ii) complexes: stereoselectivity and photosalient motion","Chemical Communications","2025","61","41","7494","7497","10.1039/D5CC01076D","","","0.71073","MoKα","","0.0649","0.0396","","","0.0798","0.088","","","","","","1.034","","","","has coordinates","300423","2025-07-06","12:56:36",""
"7134426","11.1501","0.0006","11.4178","0.0006","15.5836","0.0009","104.359","0.002","97.79","0.002","93.708","0.002","1894.22","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H68 Cd2 Cl4 N4 O8 -","- C96 H68 Cd2 Cl4 N4 O8 -","- C96 H68 Cd2 Cl4 N4 O8 -","1","0.5","","Kurakula, Uma; Naaz, Sanobar; Roy, Sourav; Khan, Samim; Puthan Peedikakkal, Abdul Malik; Medishetty, Raghavender; Mir, Mohammad Hedayetullah","Light-driven structural transformations in isotypical Cd(ii) complexes: stereoselectivity and photosalient motion","Chemical Communications","2025","61","41","7494","7497","10.1039/D5CC01076D","","","0.71073","MoKα","","0.0257","0.0238","","","0.0602","0.0617","","","","","","1.047","","","","has coordinates","300423","2025-07-06","12:56:36",""
"7134427","9.1051","0.0007","12.466","0.004","14.0938","0.0016","67.82","0.02","85.226","0.007","87.169","0.014","1475.9","0.6","293","2","293","2","1020000","30000","","","","","","5","P -1","-P 1","2","","Guanidinium lead(II) tetraiodide","","- C2 H12 I4 N6 Pb -","- C2 H12 I4 N6 Pb -","- C8 H48 I16 N24 Pb4 -","4","2","","Drushliak, Viktoriia; Szafrański, Marek","Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites","Chemical Communications","2025","61","44","8019","8022","10.1039/D5CC01232E","","x-ray","0.71073","MoKα","","0.1273","0.0615","","","0.1591","0.1749","","","","","","1.098","","","","has coordinates","300415","2025-07-06","12:53:42",""
"7134428","12.742","0.006","26.914","0.0017","9.2472","0.0004","90","","88.992","0.011","90","","3170.7","1.5","293","2","293","2","150000","30000","","","","","","5","P 1 21/n 1","-P 2yn","14","","Guanidinium lead(II) tetraiodide","","- C2 H12 I4 N6 Pb -","- C2 H12 I4 N6 Pb -","- C16 H96 I32 N48 Pb8 -","8","2","","Drushliak, Viktoriia; Szafrański, Marek","Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites","Chemical Communications","2025","61","44","8019","8022","10.1039/D5CC01232E","","x-ray","0.71073","MoKα","","0.1311","0.0612","","","0.111","0.1323","","","","","","1.1","","","","has coordinates","300415","2025-07-06","12:53:43",""
"7134429","18.217","0.006","12.3881","0.0003","11.9171","0.0003","90","","90","","90","","2689.4","0.9","293","2","293","2","1210000","30000","","","","","","6","P n n m","-P 2 2n","58","","Cesium guanidinium lead tetraiodide","","- C H6 Cs I4 N3 Pb -","- C H6 Cs I4 N3 Pb -","- C8 H48 Cs8 I32 N24 Pb8 -","8","1","","Drushliak, Viktoriia; Szafrański, Marek","Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites","Chemical Communications","2025","61","44","8019","8022","10.1039/D5CC01232E","","x-ray","0.71073","MoKα","","0.0581","0.0304","","","0.0617","0.0708","","","","","","1.229","","","","has coordinates","300415","2025-07-06","12:53:43",""
"7134430","17.69","0.05","11.8898","0.001","11.531","0.0011","90","","90","","90","","2425","7","293","2","293","2","4000000","30000","","","","","","6","P n n m","-P 2 2n","58","","Cesium guanidinium lead tetraiodide","","- C H6 Cs I4 N3 Pb -","- C H6 Cs I4 N3 Pb -","- C8 H48 Cs8 I32 N24 Pb8 -","8","1","","Drushliak, Viktoriia; Szafrański, Marek","Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites","Chemical Communications","2025","61","44","8019","8022","10.1039/D5CC01232E","","x-ray","0.71073","MoKα","","0.0775","0.0472","","","0.0946","0.1084","","","","","","1.231","","","","has coordinates","300415","2025-07-06","12:53:43",""
"7134431","17.738","0.015","11.9435","0.0008","11.5372","0.0007","90","","90","","90","","2444","2","293","2","293","2","3790000","30000","","","","","","6","P n n m","-P 2 2n","58","","Cesium guanidinium lead tetraiodide","","- C H6 Cs I4 N3 Pb -","- C H6 Cs I4 N3 Pb -","- C8 H48 Cs8 I32 N24 Pb8 -","8","1","","Drushliak, Viktoriia; Szafrański, Marek","Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites","Chemical Communications","2025","61","44","8019","8022","10.1039/D5CC01232E","","x-ray","0.71073","MoKα","","0.0756","0.0404","","","0.0852","0.0986","","","","","","1.168","","","","has coordinates","300415","2025-07-06","12:53:43",""
"7134432","17.29","0.03","11.9193","0.0006","11.5884","0.0007","90","","90","","90","","2388","4","293","2","293","2","4740000","30000","","","","","","6","P n n m","-P 2 2n","58","","Cesium guanidinium lead tetraiodide","","- C H6 Cs I4 N3 Pb -","- C H6 Cs I4 N3 Pb -","- C8 H48 Cs8 I32 N24 Pb8 -","8","1","","Drushliak, Viktoriia; Szafrański, Marek","Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites","Chemical Communications","2025","61","44","8019","8022","10.1039/D5CC01232E","","x-ray","0.71073","MoKα","","0.1293","0.095","","","0.2201","0.2413","","","","","","1.079","","","","has coordinates","300415","2025-07-06","12:53:43",""
"7134433","12.673","0.004","26.7036","0.0012","9.163","0.0003","90","","88.468","0.008","90","","3099.8","1","293","2","293","2","430000","30000","","","","","","5","P 1 21/n 1","-P 2yn","14","","Guanidinium lead(II) tetraiodide","","- C2 H12 I4 N6 Pb -","- C2 H12 I4 N6 Pb -","- C16 H96 I32 N48 Pb8 -","8","2","","Drushliak, Viktoriia; Szafrański, Marek","Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites","Chemical Communications","2025","61","44","8019","8022","10.1039/D5CC01232E","","x-ray","0.71073","MoKα","","0.124","0.057","","","0.1153","0.1426","","","","","","1.087","","","","has coordinates","300415","2025-07-06","12:53:43",""
"7134434","18.5595","0.0004","12.7464","0.0003","12.2365","0.0003","90","","90","","90","","2894.75","0.12","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","Cesium guanidinium lead tetraiodide","","- C H6 Cs I4 N3 Pb -","- C H6 Cs I4 N3 Pb -","- C8 H48 Cs8 I32 N24 Pb8 -","8","1","","Drushliak, Viktoriia; Szafrański, Marek","Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites","Chemical Communications","2025","61","44","8019","8022","10.1039/D5CC01232E","","x-ray","0.71073","MoKα","","0.0833","0.0459","","","0.121","0.1563","","","","","","1.105","","","","has coordinates","300415","2025-07-06","12:53:43",""
"7134435","12.843","0.004","27.036","0.004","9.2962","0.0006","90","","90.783","0.011","90","","3227.6","1.1","293","2","293","2","10000","10000","","","","","","5","P 1 21/n 1","-P 2yn","14","","Guanidinium lead(II) tetraiodide","","- C2 H12 I4 N6 Pb -","- C2 H12 I4 N6 Pb -","- C16 H96 I32 N48 Pb8 -","8","2","","Drushliak, Viktoriia; Szafrański, Marek","Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites","Chemical Communications","2025","61","44","8019","8022","10.1039/D5CC01232E","","x-ray","0.71073","MoKα","","0.1863","0.0772","","","0.1642","0.2116","","","","","","1.037","","","","has coordinates","300415","2025-07-06","12:53:43",""
"7134436","18.043","0.008","12.2374","0.0004","11.7887","0.0004","90","","90","","90","","2602.9","1.2","293","2","293","2","1920000","30000","","","","","","6","P n n m","-P 2 2n","58","","Cesium guanidinium lead tetraiodide","","- C H6 Cs I4 N3 Pb -","- C H6 Cs I4 N3 Pb -","- C8 H48 Cs8 I32 N24 Pb8 -","8","1","","Drushliak, Viktoriia; Szafrański, Marek","Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites","Chemical Communications","2025","61","44","8019","8022","10.1039/D5CC01232E","","x-ray","0.71073","MoKα","","0.0585","0.0317","","","0.0627","0.0726","","","","","","1.259","","","","has coordinates","300415","2025-07-06","12:53:43",""
"7134437","17.914","0.008","12.0823","0.0004","11.6499","0.0004","90","","90","","90","","2521.5","1.1","293","2","293","2","2760000","30000","","","","","","6","P n n m","-P 2 2n","58","","Cesium guanidinium lead tetraiodide","","- C H6 Cs I4 N3 Pb -","- C H6 Cs I4 N3 Pb -","- C8 H48 Cs8 I32 N24 Pb8 -","8","1","","Drushliak, Viktoriia; Szafrański, Marek","Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites","Chemical Communications","2025","61","44","8019","8022","10.1039/D5CC01232E","","x-ray","0.71073","MoKα","","0.0703","0.0398","","","0.0994","0.1161","","","","","","1.194","","","","has coordinates","300415","2025-07-06","12:53:43",""
"7134438","12.2916","0.0003","6.39616","0.00013","18.5282","0.0004","90","","90","","90","","1456.67","0.06","340.01","0.1","340.01","0.1","","","","","","","","6","I m m a","-I 2b 2","74","","Cesium guanidinium lead tetraiodide","","- C H6 Cs I4 N3 Pb -","- C H6 Cs I4 N3 Pb -","- C4 H24 Cs4 I16 N12 Pb4 -","4","0.25","","Drushliak, Viktoriia; Szafrański, Marek","Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites","Chemical Communications","2025","61","44","8019","8022","10.1039/D5CC01232E","","","0.71073","MoKα","","0.0263","0.0232","","","0.0528","0.0539","","","","","","1.147","","","","has coordinates","300415","2025-07-06","12:53:43",""
"7134439","17.6","0.02","11.8686","0.0012","11.4888","0.001","90","","90","","90","","2400","3","293","2","293","2","4460000","30000","","","","","","6","P n n m","-P 2 2n","58","","Cesium guanidinium lead tetraiodide","","- C H6 Cs I4 N3 Pb -","- C H6 Cs I4 N3 Pb -","- C8 H48 Cs8 I32 N24 Pb8 -","8","1","","Drushliak, Viktoriia; Szafrański, Marek","Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites","Chemical Communications","2025","61","44","8019","8022","10.1039/D5CC01232E","","x-ray","0.71073","MoKα","","0.1622","0.0979","","","0.195","0.2289","","","","","","1.203","","","","has coordinates","300415","2025-07-06","12:53:43",""
"7134440","17.475","0.019","11.8768","0.0005","11.5309","0.0004","90","","90","","90","","2393","3","293","2","293","2","4510000","30000","","","","","","6","P n n m","-P 2 2n","58","","Cesium guanidinium lead tetraiodide","","- C H6 Cs I4 N3 Pb -","- C H6 Cs I4 N3 Pb -","- C8 H48 Cs8 I32 N24 Pb8 -","8","1","","Drushliak, Viktoriia; Szafrański, Marek","Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites","Chemical Communications","2025","61","44","8019","8022","10.1039/D5CC01232E","","x-ray","0.71073","MoKα","","0.1059","0.0765","","","0.1779","0.1971","","","","","","1.06","","","","has coordinates","300415","2025-07-06","12:53:43",""
"7134441","18.409","0.013","12.5357","0.0007","12.0511","0.0006","90","","90","","90","","2781","2","293","2","293","2","610000","30000","","","","","","6","P n n m","-P 2 2n","58","","Cesium guanidinium lead tetraiodide","","- C H6 Cs I4 N3 Pb -","- C H6 Cs I4 N3 Pb -","- C8 H48 Cs8 I32 N24 Pb8 -","8","1","","Drushliak, Viktoriia; Szafrański, Marek","Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites","Chemical Communications","2025","61","44","8019","8022","10.1039/D5CC01232E","","x-ray","0.71073","MoKα","","0.0572","0.0304","","","0.0608","0.0701","","","","","","1.281","","","","has coordinates","300415","2025-07-06","12:53:43",""
"7134442","12.28699","0.00015","6.38954","0.00008","18.5355","0.0003","90","","90","","90","","1455.19","0.03","325","0.11","325","0.11","","","","","","","","6","I m m a","-I 2b 2","74","","Cesium guanidinium lead tetraiodide","","- C H6 Cs I4 N3 Pb -","- C H6 Cs I4 N3 Pb -","- C4 H24 Cs4 I16 N12 Pb4 -","4","0.25","","Drushliak, Viktoriia; Szafrański, Marek","Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites","Chemical Communications","2025","61","44","8019","8022","10.1039/D5CC01232E","","x-ray","0.71073","MoKα","","0.0216","0.0194","","","0.0456","0.0464","","","","","","1.14","","","","has coordinates","300415","2025-07-06","12:53:43",""
"7134443","17.82","0.011","12.0233","0.0006","11.6046","0.0006","90","","90","","90","","2486.3","1.5","293","2","293","2","3150000","30000","","","","","","6","P n n m","-P 2 2n","58","","Cesium guanidinium lead tetraiodide","","- C H6 Cs I4 N3 Pb -","- C H6 Cs I4 N3 Pb -","- C8 H48 Cs8 I32 N24 Pb8 -","8","1","","Drushliak, Viktoriia; Szafrański, Marek","Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites","Chemical Communications","2025","61","44","8019","8022","10.1039/D5CC01232E","","x-ray","0.71073","MoKα","","0.0611","0.0335","","","0.0752","0.0854","","","","","","1.216","","","","has coordinates","300415","2025-07-06","12:53:43",""
"7134444","17.799","0.009","11.9757","0.0005","11.5555","0.0005","90","","90","","90","","2463.1","1.3","293","2","293","2","3470000","30000","","","","","","6","P n n m","-P 2 2n","58","","Cesium guanidinium lead tetraiodide","","- C H6 Cs I4 N3 Pb -","- C H6 Cs I4 N3 Pb -","- C8 H48 Cs8 I32 N24 Pb8 -","8","1","","Drushliak, Viktoriia; Szafrański, Marek","Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites","Chemical Communications","2025","61","44","8019","8022","10.1039/D5CC01232E","","x-ray","0.71073","MoKα","","0.061","0.0346","","","0.0755","0.0849","","","","","","1.27","","","","has coordinates","300415","2025-07-06","12:53:43",""
"7134445","8.6101","0.0004","9.4347","0.0006","15.4023","0.0009","98.502","0.005","101.701","0.004","112.023","0.005","1100.7","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C50 H58 N2 O6 -","2","1","","Takeda, Norihiko; Fujita, Sora; Murakami, Kaho; Honda, Chihiro; Tomoda, Hina; Yasui, Motohiro; Yamada, Takahiro; Ueda, Masafumi","Zinc(ii)-catalysed cyclocondensation of oxime ethers triggered by polarity inversion: construction of fused pyrroles","Chemical Communications","2025","61","44","7995","7998","10.1039/D5CC01362C","","","0.71073","MoKα","","0.1094","0.0759","","","0.1721","0.1879","","","","","","1.041","","","","has coordinates","300416","2025-07-06","12:54:05",""
"7134446","8.5551","0.0004","6.0134","0.0003","19.1446","0.0008","90","","94.893","0.004","90","","981.31","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 Br N O -","- C24 H22 Br N O -","- C48 H44 Br2 N2 O2 -","2","1","","Takeda, Norihiko; Fujita, Sora; Murakami, Kaho; Honda, Chihiro; Tomoda, Hina; Yasui, Motohiro; Yamada, Takahiro; Ueda, Masafumi","Zinc(ii)-catalysed cyclocondensation of oxime ethers triggered by polarity inversion: construction of fused pyrroles","Chemical Communications","2025","61","44","7995","7998","10.1039/D5CC01362C","","","0.71073","MoKα","","0.0516","0.0404","","","0.0773","0.0801","","","","","","1.039","","","","has coordinates","300416","2025-07-06","12:54:15",""
"7134447","34.2132","0.0004","7.3693","0.0001","40.2679","0.0008","90","","90","","90","","10152.6","0.3","100","0.1","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","9-(11H-benzo[b]fluoren-11-ylidene)-10-(4-nitrophenyl)-9,10-dihydroacridine","","- C36 H22 N2 O2 -","- C36 H22 N2 O2 -","- C576 H352 N32 O32 -","16","4","","Liu, Xiang-Ru; Yin, Yihao; Xiao, Xian-Xian; Zheng, Lin; Lu, Yan-Na; Chen, Jun-Shuai; Gu, Jin-Hui; Lu, Yunjie; Xie, Jia-Sen; Gu, Mingwei; Xu, Zhi-Guang; Ge, Jin","Bistricyclic aromatic enes with fast conformational transition for ultrathin piezochromic films","Chemical Communications","2025","61","41","7506","7509","10.1039/D5CC01054C","","x-ray","1.54184","CuKα","","0.0922","0.0849","","","0.2231","0.2303","","","","","","1.033","","","","has coordinates","300422","2025-07-06","12:55:50",""
"7134448","16.149","0.003","26.246","0.005","30.52","0.006","90","","93.016","0.007","90","","12918","4","220","2","220","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C168 H200 B6 F24 N32 O38 Pd3 S14 -","- C168 H200 B6 F24 N32 O38 Pd3 S14 -","- C336 H400 B12 F48 N64 O76 Pd6 S28 -","2","0.5","","Dakua, Trilochan; Mishra, Srabani Srotoswini; Kumar, Ashish; Krishnaswamy, Shobhana; Chand, Dillip Kumar","Multi-cavity discrete coordination cages encapsulating up to four units of pyrazine-N,N′-dioxide: molecular soybeans","Chemical Communications","2025","61","44","8007","8010","10.1039/D5CC01107H","","","0.71073","MoKα","","0.14","0.0943","","","0.2517","0.2909","","","","","","1.047","","","","has coordinates","300412","2025-07-06","12:52:28",""
"7134449","14.35","0.002","13.941","0.002","23.623","0.004","90","","90","","90","","4725.9","1.2","286","2","286","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C27 H30 N6 -","- C27 H30 N6 -","- C216 H240 N48 -","8","2","","Divya,; Panday, Ravi Rajan; Ali, Shahjad; Ali, Md Ehesan; Kalla, Sarita; Pandey, Rakesh K.; Jangir, Ritambhara","An electron rich triazine-based covalent organic framework as an aqueous electrolyte symmetric supercapacitor","Chemical Communications","2025","61","43","7831","7834","10.1039/D5CC01105A","","","0.71073","MoKα","","0.0877","0.0574","","","0.137","0.1542","","","","","","1.028","","","","has coordinates","300439","2025-07-06","13:03:08",""
"7134450","15.2096","0.0004","16.6088","0.0006","17.4936","0.0007","63.221","0.004","81.517","0.003","89.492","0.003","3893.7","0.3","173.15","","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C77 H96 B F12 N3 O Sb2 -","- C77 H96 B F12 N3 O Sb2 -","- C154 H192 B2 F24 N6 O2 Sb4 -","2","1","","Yang, Peiyuan; Chen, Yizhou; Kuroda, Takuma; Morishita, Haruto; Fukumoto, Hiroki; Morita, Masato; Masada, Koichiro; Sasamori, Takahiro; Kubo, Kazuya; Marumoto, Kazuhiro; Inoue, Ryo; Kato, Shin-ichiro; Agou, Tomohiro","Dicationic dibenzo[1,4]azaborine with an open-shell electronic structure","Chemical Communications","2025","61","43","7847","7850","10.1039/D5CC01762A","","","0.71073","MoKα","","0.1075","0.0591","","","0.127","0.1437","","","","","","1.016","","","","has coordinates,has disorder","300434","2025-07-06","13:01:40",""
"7134451","16.27","0.002","16.235","0.002","38.13","0.005","90","","98.979","0.006","90","","9948","2","102.51","","102.51","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H28 B F20 Fe2 P S2 -","- C56 H28 B F20 Fe2 P S2 -","- C448 H224 B8 F160 Fe16 P8 S16 -","8","1","","Stoian, Corina; Schmidt, Nils; Kuczmera, Thomas J.; Puylaert, Pim; Lork, Enno; Nachtsheim, Boris J.; Hupf, Emanuel; Beckmann, Jens","Oxidative addition of diaryldichalcogenides to the diferrocenylphosphenium ion: synthesis, structure and organocatalytic activity","Chemical Communications","2025","61","45","8256","8259","10.1039/D5CC01555C","","","0.71073","MoKα","","0.0611","0.0489","","","0.1084","0.1128","","","","","","1.142","","","","has coordinates","300518","2025-07-06","13:32:06",""
"7134452","10.8629","0.0008","15.1456","0.0011","17.3801","0.001","71.852","0.002","75.728","0.002","87.113","0.003","2632.3","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H36 B F20 Fe2 P Se2 -","- C56 H28 B F20 Fe2 P Se2 -","- C112 H56 B2 F40 Fe4 P2 Se4 -","2","1","","Stoian, Corina; Schmidt, Nils; Kuczmera, Thomas J.; Puylaert, Pim; Lork, Enno; Nachtsheim, Boris J.; Hupf, Emanuel; Beckmann, Jens","Oxidative addition of diaryldichalcogenides to the diferrocenylphosphenium ion: synthesis, structure and organocatalytic activity","Chemical Communications","2025","61","45","8256","8259","10.1039/D5CC01555C","","","0.71073","MoKα","","0.0618","0.0441","","","0.1177","0.1269","","","","","","1.057","","","","has coordinates","300518","2025-07-06","13:32:07",""
"7134453","16.326","0.004","9.99","0.002","32.781","0.007","90","","98.502","0.009","90","","5288","2","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C57 H28 B Cl2 F20 Fe2 P Se2 -","- C56 H26 B F20 Fe2 P Se2 -","- C224 H104 B4 F80 Fe8 P4 Se8 -","4","1","","Stoian, Corina; Schmidt, Nils; Kuczmera, Thomas J.; Puylaert, Pim; Lork, Enno; Nachtsheim, Boris J.; Hupf, Emanuel; Beckmann, Jens","Oxidative addition of diaryldichalcogenides to the diferrocenylphosphenium ion: synthesis, structure and organocatalytic activity","Chemical Communications","2025","61","45","8256","8259","10.1039/D5CC01555C","","x-ray","0.71073","MoKα","","0.0562","0.0446","","","0.1195","0.1266","","","","","","1.039","","","","has coordinates","300518","2025-07-06","13:32:07",""
"7134454","16.24","0.002","16.332","0.002","38.51","0.005","90","","98.942","0.004","90","","10090","2","100.01","","100.01","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H28 B F20 Fe2 P Se2 -","- C56 H28 B F20 Fe2 P Se2 -","- C448 H224 B8 F160 Fe16 P8 Se16 -","8","1","","Stoian, Corina; Schmidt, Nils; Kuczmera, Thomas J.; Puylaert, Pim; Lork, Enno; Nachtsheim, Boris J.; Hupf, Emanuel; Beckmann, Jens","Oxidative addition of diaryldichalcogenides to the diferrocenylphosphenium ion: synthesis, structure and organocatalytic activity","Chemical Communications","2025","61","45","8256","8259","10.1039/D5CC01555C","","","0.71073","MoKα","","0.055","0.0377","","","0.0817","0.0872","","","","","","1.044","","","","has coordinates","300518","2025-07-06","13:32:07",""
"7134455","13.4185","0.0006","13.8756","0.0006","15.8321","0.0007","100.509","0.002","95.382","0.002","92.036","0.002","2881.4","0.2","106","","106","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H36 B F20 Fe4 P Se2 -","- C64 H36 B F20 Fe4 P Se2 -","- C128 H72 B2 F40 Fe8 P2 Se4 -","2","1","","Stoian, Corina; Schmidt, Nils; Kuczmera, Thomas J.; Puylaert, Pim; Lork, Enno; Nachtsheim, Boris J.; Hupf, Emanuel; Beckmann, Jens","Oxidative addition of diaryldichalcogenides to the diferrocenylphosphenium ion: synthesis, structure and organocatalytic activity","Chemical Communications","2025","61","45","8256","8259","10.1039/D5CC01555C","","x-ray","0.71073","MoKα","","0.0339","0.0299","","","0.0747","0.0766","","","","","","1.063","","","","has coordinates,has disorder","300518","2025-07-06","13:32:07",""
"7134456","10.3907","0.0006","15.4524","0.0008","18.1339","0.0009","104.965","0.002","103.652","0.002","92.341","0.002","2717.3","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C57 H30 B Cl2 F20 Fe2 P Te2 -","- C56 H28 B F20 Fe2 P Te2 -","- C112 H56 B2 F40 Fe4 P2 Te4 -","2","1","","Stoian, Corina; Schmidt, Nils; Kuczmera, Thomas J.; Puylaert, Pim; Lork, Enno; Nachtsheim, Boris J.; Hupf, Emanuel; Beckmann, Jens","Oxidative addition of diaryldichalcogenides to the diferrocenylphosphenium ion: synthesis, structure and organocatalytic activity","Chemical Communications","2025","61","45","8256","8259","10.1039/D5CC01555C","","","0.71073","MoKα","","0.0234","0.0224","","","0.0564","0.0568","","","","","","1.099","","","","has coordinates","300518","2025-07-06","13:32:07",""
"7134457","13.0383","0.0004","15.157","0.0005","20.5626","0.0007","82.547","0.002","78.926","0.001","81.93","0.001","3926.3","0.2","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C93 H82 Cl2 O12 -","- C93 H82 Cl2 O12 -","- C186 H164 Cl4 O24 -","2","1","","Lagerna, Oleksandra; Shivanyuk, Alexander; Kienko, Tetyana; Shishkina, Svitlana V.; Lukin, Oleg; Fetyukhin, Volodymyr","Acyl migrations sensitive to supramolecular encapsulation","Chemical Communications","2025","61","47","8500","8503","10.1039/D5CC01417D","","","0.71073","MoKα","","0.1048","0.0657","","","0.1418","0.1636","","","","","","1.018","","","","has coordinates","300479","2025-07-06","13:17:53",""
"7134458","25.0141","0.0009","25.0141","0.0009","60.039","0.004","90","","90","","120","","32534","3","275","2","275","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C198 H180 F0 N48 P0 Pd6 -","- C198 H180 N48 Pd6 -","- C396 H360 N96 Pd12 -","2","0.0833333","","Hu, Yu-Hang; Yin, Fan; Hong, Shun-Xing; Zhou, Li-Peng; Tang, Ke-Han; Zhong, Ying-Mei; Li, Chen-Chen; Cai, Li-Xuan; Sun, Qing-Fu","Coordination-assembly of a redox-active Pd6L3 cage for aerobic C(sp3)–H bond photooxidation of aromatic cyclic ethers","Chemical Communications","2025","61","43","7819","7822","10.1039/D5CC01997D","","","1.3405","GaKα","","0.1867","0.1249","","","0.3844","0.4294","","","","","","1.379","","","","has coordinates","300441","2025-07-06","13:03:50",""
"7134459","15.0598","0.0015","22.67","0.002","19.377","0.002","90","","92.999","0.004","90","","6606.4","1.1","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H22 Eu2 F36 N6 O12 S2 -","- C52 H22 Eu2 F36 N6 O12 S2 -","- C208 H88 Eu8 F144 N24 O48 S8 -","4","0.5","","Fréroux, Yoann; Kiraev, Salauat; Galangau, Olivier; Phan, Tuan-Anh; Roisnel, Thierry; Maury, Olivier; Rigaut, Stéphane; Norel, Lucie","Photomodulation of dinuclear europium(iii) complex luminescence using thermally reversible photochromism of diarylethene","Chemical Communications","2025","61","44","8051","8054","10.1039/D5CC01334H","","x-ray","0.71073","MoKα","","0.023","0.0221","","","0.0667","0.068","","","","","","1.033","","","","has coordinates,has disorder","300411","2025-07-06","12:51:47",""
"7134460","12.4171","0.0007","32.1311","0.0019","18.2736","0.0011","90","","105.03","0.002","90","","7041.3","0.7","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H22 F36 N6 O12 S2 Yb2 -","- C52 H22 F36 N6 O12 S2 Yb2 -","- C208 H88 F144 N24 O48 S8 Yb8 -","4","1","","Fréroux, Yoann; Kiraev, Salauat; Galangau, Olivier; Phan, Tuan-Anh; Roisnel, Thierry; Maury, Olivier; Rigaut, Stéphane; Norel, Lucie","Photomodulation of dinuclear europium(iii) complex luminescence using thermally reversible photochromism of diarylethene","Chemical Communications","2025","61","44","8051","8054","10.1039/D5CC01334H","","x-ray","0.71073","MoKα","","0.0371","0.035","","","0.0849","0.0864","","","","","","1.081","","","","has coordinates,has disorder","300411","2025-07-06","12:51:50",""
"7134461","20.808","0.002","22.891","0.003","23.911","0.003","94.956","0.003","106.576","0.003","108.561","0.003","10149","2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H188.41 Na6 O41 S12 Si6 -","- C144 H188.406 Na6 O41 S12 Si6 -","- C288 H376.812 Na12 O82 S24 Si12 -","2","1","","Diack, Youssoupha; Mallet-Ladeira, Sonia; Lesage, Denis; Guerra, João V. S.; Bourissou, Didier; Szalóki, György","Confinement-supported aurophilic interaction","Chemical Communications","2025","61","44","8003","8006","10.1039/D5CC01540E","","","0.71073","MoKα","","0.3102","0.1917","","","0.4379","0.5053","","","","","","1.535","","","","has coordinates,has disorder","300410","2025-07-06","12:51:20",""
"7134462","37.0345","0.0014","25.8098","0.001","23.2625","0.0008","90","","94.174","0.001","90","","22176.6","1.4","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C148 H195 Au6 N2 O24 P12 Si6 -","- C148 H195 Au6 N2 O24 P12 Si6 -","- C592 H780 Au24 N8 O96 P48 Si24 -","4","0.5","","Diack, Youssoupha; Mallet-Ladeira, Sonia; Lesage, Denis; Guerra, João V. S.; Bourissou, Didier; Szalóki, György","Confinement-supported aurophilic interaction","Chemical Communications","2025","61","44","8003","8006","10.1039/D5CC01540E","","","0.71073","MoKα","","0.0792","0.068","","","0.1535","0.159","","","","","","1.156","","","","has coordinates,has disorder","300410","2025-07-06","12:51:21",""
"7134463","17.1106","0.0009","22.0464","0.0012","26.2211","0.0014","89.918","0.002","89.321","0.002","70.05","0.002","9297.1","0.9","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C154.76 H219 Au2 Na4 O38 P3.96 Si6 -","- C154.76 H218.99 Au2 Na4 O38 P3.96 Si6 -","- C309.52 H437.98 Au4 Na8 O76 P7.92 Si12 -","2","1","","Diack, Youssoupha; Mallet-Ladeira, Sonia; Lesage, Denis; Guerra, João V. S.; Bourissou, Didier; Szalóki, György","Confinement-supported aurophilic interaction","Chemical Communications","2025","61","44","8003","8006","10.1039/D5CC01540E","","","0.71073","MoKα","","0.0593","0.0423","","","0.1141","0.1286","","","","","","1.094","","","","has coordinates,has disorder","300410","2025-07-06","12:51:21",""
"7134464","12.4016","0.0002","14.4612","0.0002","20.6761","0.0003","90","","94.648","0.001","90","","3695.9","0.1","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 Ca N P2 Si2 -","- C30 H60 Ca N P2 Si2 -","- C120 H240 Ca4 N4 P8 Si8 -","4","1","","Messori, Alessandro; Potocnik, Marcel; Belazregue, Sara; Collins, Richard; Krämer, Tobias; Chadwick, F. Mark","PCP and POCOP complexes of calcium","Chemical Communications","2025","61","43","7827","7830","10.1039/D5CC00872G","","x-ray","1.54184","CuKα","","0.0479","0.0398","","","0.1057","0.1153","","","","","","1.031","","","","has coordinates","300440","2025-07-06","13:03:33",""
"7134465","17.9482","0.0004","17.8327","0.0004","12.6949","0.0003","90","","90","","90","","4063.19","0.16","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H62 Ca O4 P4 -","- C36 H62 Ca O4 P4 -","- C144 H248 Ca4 O16 P16 -","4","1","","Messori, Alessandro; Potocnik, Marcel; Belazregue, Sara; Collins, Richard; Krämer, Tobias; Chadwick, F. Mark","PCP and POCOP complexes of calcium","Chemical Communications","2025","61","43","7827","7830","10.1039/D5CC00872G","","","0.71073","MoKα","","0.0405","0.0336","","0.0886","0.0832","0.0886","","","","","","1.0824","","","","has coordinates","300440","2025-07-06","13:03:35",""
"7134466","23.5873","0.0007","11.5583","0.0002","20.9001","0.0007","90","","119.236","0.004","90","","4972.1","0.3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H78 Ca O4 P4 -","- C44 H78 Ca O4 P4 -","- C176 H312 Ca4 O16 P16 -","4","0.5","","Messori, Alessandro; Potocnik, Marcel; Belazregue, Sara; Collins, Richard; Krämer, Tobias; Chadwick, F. Mark","PCP and POCOP complexes of calcium","Chemical Communications","2025","61","43","7827","7830","10.1039/D5CC00872G","","x-ray","1.54184","CuKα","","0.0443","0.0359","","","0.0943","0.1028","","","","","","1.032","","","","has coordinates","300440","2025-07-06","13:03:35",""
"7134467","11.4317","0.0002","19.1095","0.0002","14.6851","0.0002","90","","106.607","0.0015","90","","3074.21","0.08","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 O2 P2 Si -","- C28 H46 O2 P2 Si -","- C112 H184 O8 P8 Si4 -","4","1","","Messori, Alessandro; Potocnik, Marcel; Belazregue, Sara; Collins, Richard; Krämer, Tobias; Chadwick, F. Mark","PCP and POCOP complexes of calcium","Chemical Communications","2025","61","43","7827","7830","10.1039/D5CC00872G","","","1.54184","CuKα","","0.0476","0.0395","","0.1185","0.1089","0.1127","","","","","","0.9631","","","","has coordinates","300440","2025-07-06","13:03:35",""
"7134468","14.8629","0.0002","19.3315","0.0002","25.3975","0.0003","90","","90","","90","","7297.26","0.15","173","0.1","173","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H57 Ca N O2 P2 Si2 -","- C28 H57 Ca N O2 P2 Si2 -","- C224 H456 Ca8 N8 O16 P16 Si16 -","8","1","","Messori, Alessandro; Potocnik, Marcel; Belazregue, Sara; Collins, Richard; Krämer, Tobias; Chadwick, F. Mark","PCP and POCOP complexes of calcium","Chemical Communications","2025","61","43","7827","7830","10.1039/D5CC00872G","","x-ray","1.54184","CuKα","","0.0583","0.0422","","","0.1061","0.1203","","","","","","1.013","","","","has coordinates","300440","2025-07-06","13:03:35",""
"7134469","7.7665","0.0003","11.5656","0.0006","13.5181","0.0006","80.546","0.002","88.085","0.002","87.299","0.002","1196.02","0.09","193","","193","","","","","","","","","6","P -1","-P 1","2","","1-(di-tert-butylphosphaneyl)-3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole","","- C23 H37 B N O2 P -","- C23 H37 B N O2 P -","- C46 H74 B2 N2 O4 P2 -","2","1","","Zheng, Tianyu; Jiang, Hao; Ma, Jiawei; Chen, Haochi; Shi, Zhuangzhi; Liang, Yong","Dispersion-controlled C6-selective C–H borylation of indoles","Chemical Communications","2025","61","45","8208","8211","10.1039/D5CC01554E","","","0.71073","MoKα","","0.0974","0.0564","","","0.1144","0.1338","","","","","","1.028","","","","has coordinates","300514","2025-07-06","13:29:54",""
"7134470","13.0888","0.0007","12.8677","0.0006","20.7793","0.0011","90","","108.194","0.002","90","","3324.7","0.3","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(Di(adamantan-1-yl)phosphaneyl)-3-isopropyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole","","- C37 H53 B N O2 P -","- C37 H53 B N O2 P -","- C148 H212 B4 N4 O8 P4 -","4","1","","Zheng, Tianyu; Jiang, Hao; Ma, Jiawei; Chen, Haochi; Shi, Zhuangzhi; Liang, Yong","Dispersion-controlled C6-selective C–H borylation of indoles","Chemical Communications","2025","61","45","8208","8211","10.1039/D5CC01554E","","","0.71073","MoKα","","0.0815","0.0528","","","0.1119","0.1267","","","","","","1.013","","","","has coordinates","300514","2025-07-06","13:29:54",""
"7134471","32.7341","0.0019","23.0166","0.0013","9.2046","0.0006","90","","92.844","0.002","90","","6926.5","0.7","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H54.6 Br0.38 Cl0.62 Ga N -","- C35 H55 Br0.381 Cl0.619 Ga N -","- C280 H440 Br3.048 Cl4.952 Ga8 N8 -","8","1","","Jiang, Yuqi; Pan, Guo; Zhou, Ren; Huang, Ruihao; Ran, Dongmei; Xu, Daqian; Su, Yuanting","Isolable GaN-based analogues of Thiele's and Chichibabin's hydrocarbons","Chemical Communications","2025","61","45","8192","8195","10.1039/D5CC01531F","","","0.71073","MoKα","","0.0812","0.0492","","","0.1313","0.1567","","","","","","1.033","","","","has coordinates,has disorder","300516","2025-07-06","13:30:48",""
"7134472","9.926","0.005","12.299","0.011","14.106","0.009","107.74","0.03","103.724","0.019","102.71","0.03","1511.7","1.9","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H96 Ga2 N2 -","- C64 H96 Ga2 N2 -","- C64 H96 Ga2 N2 -","1","0.5","","Jiang, Yuqi; Pan, Guo; Zhou, Ren; Huang, Ruihao; Ran, Dongmei; Xu, Daqian; Su, Yuanting","Isolable GaN-based analogues of Thiele's and Chichibabin's hydrocarbons","Chemical Communications","2025","61","45","8192","8195","10.1039/D5CC01531F","","","0.71073","MoKα","","0.0742","0.0572","","","0.153","0.1691","","","","","","1.065","","","","has coordinates,has disorder","300516","2025-07-06","13:30:49",""
"7134473","9.0948","0.0005","12.5381","0.0007","18.2742","0.0011","81.321","0.002","80.234","0.002","73.737","0.002","1959.65","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H66 Ga N O2 -","- C43 H66 Ga N O2 -","- C86 H132 Ga2 N2 O4 -","2","1","","Jiang, Yuqi; Pan, Guo; Zhou, Ren; Huang, Ruihao; Ran, Dongmei; Xu, Daqian; Su, Yuanting","Isolable GaN-based analogues of Thiele's and Chichibabin's hydrocarbons","Chemical Communications","2025","61","45","8192","8195","10.1039/D5CC01531F","","","0.71073","MoKα","","0.0893","0.0603","","","0.148","0.1699","","","","","","1.047","","","","has coordinates","300516","2025-07-06","13:30:49",""
"7134474","18.6669","0.0006","18.6669","0.0006","39.267","0.003","90","","90","","90","","13682.7","1.2","150","","150","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C70 H100 Cl2 Ga2 N2 -","- C70 H100 Cl2 Ga2 N2 -","- C560 H800 Cl16 Ga16 N16 -","8","0.5","","Jiang, Yuqi; Pan, Guo; Zhou, Ren; Huang, Ruihao; Ran, Dongmei; Xu, Daqian; Su, Yuanting","Isolable GaN-based analogues of Thiele's and Chichibabin's hydrocarbons","Chemical Communications","2025","61","45","8192","8195","10.1039/D5CC01531F","","","0.71073","MoKα","","0.1027","0.0745","","","0.1927","0.2155","","","","","","1.055","","","","has coordinates,has disorder","300516","2025-07-06","13:30:49",""
"7134475","8.651","0.0004","10.0429","0.0004","13.0902","0.0006","106.123","0.001","95.593","0.001","112.022","0.001","986.56","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 F N2 O5 -","- C24 H15 F N2 O5 -","- C48 H30 F2 N4 O10 -","2","1","","Bouda, Maria; Hana, Grace E.; Xhili, Dea; Sripada, Archita; Bertke, Jeffery A.; Wolf, Christian","Organocatalytic atroposelective fluorooxindole addition to coumarin Michael acceptors","Chemical Communications","2025","61","43","7883","7886","10.1039/D5CC01166C","","","0.71073","MoKα","","0.0432","0.0358","","","0.0853","0.0904","","","","","","1.008","","","","has coordinates","300437","2025-07-06","13:02:28",""
"7134476","8.0949","0.0007","8.6881","0.0007","12.6768","0.001","74.929","0.001","84.954","0.002","73.257","0.002","824.31","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H10 Br F N2 O5 -","- C18 H10 Br F N2 O5 -","- C36 H20 Br2 F2 N4 O10 -","2","1","","Bouda, Maria; Hana, Grace E.; Xhili, Dea; Sripada, Archita; Bertke, Jeffery A.; Wolf, Christian","Organocatalytic atroposelective fluorooxindole addition to coumarin Michael acceptors","Chemical Communications","2025","61","43","7883","7886","10.1039/D5CC01166C","","","0.71073","MoKα","","0.0272","0.0237","","","0.057","0.0582","","","","","","1.066","","","","has coordinates","300437","2025-07-06","13:02:30",""
"7134477","9.761","0.0002","10.0249","0.0002","17.7207","0.0004","90","","104.683","0.001","90","","1677.4","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H10 Cl F N2 O5 -","- C18 H10 Cl F N2 O5 -","- C72 H40 Cl4 F4 N8 O20 -","4","2","","Bouda, Maria; Hana, Grace E.; Xhili, Dea; Sripada, Archita; Bertke, Jeffery A.; Wolf, Christian","Organocatalytic atroposelective fluorooxindole addition to coumarin Michael acceptors","Chemical Communications","2025","61","43","7883","7886","10.1039/D5CC01166C","","","0.71073","MoKα","","0.0345","0.0328","","","0.085","0.0863","","","","","","1.035","","","","has coordinates","300437","2025-07-06","13:02:38",""
"7134478","7.5268","0.0004","6.9794","0.0004","7.8192","0.0004","90","","113.612","0.002","90","","376.37","0.04","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B Cs H2 O3 -","- B Cs H2 O3 -","- B4 Cs4 H8 O12 -","4","1","","Fan, Jinbin; Zhang, Luyong; Chen, Zilong; Li, Huimin; Yang, Zhihua; Yang, Yun; Zhang, Fangfang; Pan, Shilie","CsBO(OH)2: a new hydroxyborate with the rare [BO(OH)2] group and a deep ultraviolet cutoff edge","Chemical Communications","2025","61","45","8196","8199","10.1039/D5CC02270C","","","0.71073","MoKα","","0.019","0.0162","","","0.0388","0.0396","","","","","","1.086","","","","has coordinates","300513","2025-07-06","13:29:37",""
"7134479","8.6971","0.0006","5.873","0.0004","12.5155","0.0009","90","","94.239","0.007","90","","637.52","0.08","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","1","","Othman, Karwan Abdulmajed; Xiang, Yimin; Wang, Yue; Huang, Nianyu; Wang, Nengzhong; Li, Linxuan; Yao, Hui","Stereoselective synthesis of C-glycosides from glycals and organotrifluoroborate salts","Chemical Communications","2025","61","43","7867","7870","10.1039/D5CC00271K","","x-ray","1.54184","CuKα","","0.0609","0.058","","","0.1545","0.1576","","","","","","1.025","","","","has coordinates","300436","2025-07-06","13:02:12",""
"7134480","10.87836","0.00011","4.91995","0.00006","21.8073","0.0002","90","","91.9801","0.0009","90","","1166.45","0.02","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","2","","Othman, Karwan Abdulmajed; Xiang, Yimin; Wang, Yue; Huang, Nianyu; Wang, Nengzhong; Li, Linxuan; Yao, Hui","Stereoselective synthesis of C-glycosides from glycals and organotrifluoroborate salts","Chemical Communications","2025","61","43","7867","7870","10.1039/D5CC00271K","","x-ray","1.54184","CuKα","","0.0414","0.0403","","","0.1168","0.118","","","","","","1.079","","","","has coordinates","300436","2025-07-06","13:02:13",""
"7134481","4.8369","0.0001","14.8689","0.0003","37.6287","0.0008","90","","90","","90","","2706.23","0.1","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 O5.5 -","- C14 H21 O5.5 -","- C112 H168 O44 -","8","2","","Othman, Karwan Abdulmajed; Xiang, Yimin; Wang, Yue; Huang, Nianyu; Wang, Nengzhong; Li, Linxuan; Yao, Hui","Stereoselective synthesis of C-glycosides from glycals and organotrifluoroborate salts","Chemical Communications","2025","61","43","7867","7870","10.1039/D5CC00271K","","x-ray","1.54184","CuKα","","0.0424","0.0403","","","0.0998","0.1012","","","","","","1.06","","","","has coordinates","300436","2025-07-06","13:02:13",""
"7134482","24.8118","0.0005","24.8118","0.0005","5.1576","0.0002","90","","90","","90","","3175.15","0.15","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C56 H56 O8 Si4 -","- C56 H56 O8 Si4 -","- C112 H112 O16 Si8 -","2","0.25","","Iwamoto, Takahiro; Amano, Sota; Maeda, Kousuke; Shibama, Natsuki; Sekiguchi, Wakana; Kazama, Yuki; Nakamura, Yasuyuki; Sugamata, Koh; Imoto, Hiroaki; Naka, Kensuke; Ishii, Youichi","Exclusive macrocyclization through multiple Si–O bond formations from diol and dichlorosilane","Chemical Communications","2025","61","45","8180","8183","10.1039/D5CC01499A","","","0.4139","Synchrotron","","0.0687","0.0524","","","0.1126","0.1205","","","","","","1.194","","","","has coordinates,has disorder","300515","2025-07-06","13:30:20",""
"7134483","13.3626","0.0005","10.537","0.0002","12.8771","0.0004","90","","112.376","0.004","90","","1676.6","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Si2 -","- C16 H20 O4 Si2 -","- C64 H80 O16 Si8 -","4","1","","Iwamoto, Takahiro; Amano, Sota; Maeda, Kousuke; Shibama, Natsuki; Sekiguchi, Wakana; Kazama, Yuki; Nakamura, Yasuyuki; Sugamata, Koh; Imoto, Hiroaki; Naka, Kensuke; Ishii, Youichi","Exclusive macrocyclization through multiple Si–O bond formations from diol and dichlorosilane","Chemical Communications","2025","61","45","8180","8183","10.1039/D5CC01499A","","","0.414","Synchrotron","","0.0603","0.0456","","","0.1122","0.1206","","","","","","1.028","","","","has coordinates","300515","2025-07-06","13:30:20",""
"7134484","9.0966","0.0003","12.2949","0.0005","14.6504","0.0005","104.644","0.002","102.93","0.001","111.566","0.001","1379.99","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H28 N2 O5 S -","- C35 H28 N2 O5 S -","- C70 H56 N4 O10 S2 -","2","1","","Xu, Fuxing; Xiong, Zongli; Qin, Wenling; Yao, Weijun; Wang, Zhen","Asymmetric synthesis of quinolinone-based polycyclic indoles through [1,3]-rearrangement/cyclization reaction","Chemical Communications","2025","61","46","8403","8406","10.1039/D5CC00612K","","","1.54178","CuKα","","0.0423","0.0363","","","0.0832","0.088","","","","","","1.081","","","","has coordinates","300461","2025-07-06","13:12:24",""
"7134485","10.7401","0.0002","18.2838","0.0003","18.5074","0.0003","90","","92.761","0.001","90","","3630.08","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 N2 O5 S2 -","- C42 H36 N2 O5 S2 -","- C168 H144 N8 O20 S8 -","4","1","","Xu, Fuxing; Xiong, Zongli; Qin, Wenling; Yao, Weijun; Wang, Zhen","Asymmetric synthesis of quinolinone-based polycyclic indoles through [1,3]-rearrangement/cyclization reaction","Chemical Communications","2025","61","46","8403","8406","10.1039/D5CC00612K","","x-ray","1.54184","CuKα","","0.0496","0.0415","","","0.1143","0.1241","","","","","","1.037","","","","has coordinates","300461","2025-07-06","13:12:25",""
"7134486","19.1711","0.0005","14.3457","0.0004","16.0551","0.0004","90","","94.317","0.002","90","","4403","0.2","283","0.1","283","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C24 H12 Cu2 F4 N2 O4 -","- C24 H12 Cu2 F4 N2 O4 -","- C192 H96 Cu16 F32 N16 O32 -","8","1","","Li, Yifei; Wang, Fenglei; Xiang, Shengchang; Fan, Xi; Zhang, Zhangjing","Restructuring of mortise-and-tenon frameworks at the molecular level","Chemical Communications","2025","61","46","8343","8346","10.1039/D5CC01967B","","x-ray","1.54184","CuKα","","0.076","0.0686","","","0.1923","0.2032","","","","","","1.053","","","","has coordinates","300462","2025-07-06","13:12:37",""
"7134487","11.632","0.0003","7.8201","0.0002","23.9312","0.0004","90","","92.22","0.002","90","","2175.23","0.09","199.8","0.3","199.8","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Cu2 F2 N2 O4 -","- C24 H16 Cu2 F2 N2 O4 -","- C96 H64 Cu8 F8 N8 O16 -","4","1","","Li, Yifei; Wang, Fenglei; Xiang, Shengchang; Fan, Xi; Zhang, Zhangjing","Restructuring of mortise-and-tenon frameworks at the molecular level","Chemical Communications","2025","61","46","8343","8346","10.1039/D5CC01967B","","x-ray","1.54184","CuKα","","0.0644","0.0614","","","0.1626","0.1643","","","","","","1.159","","","","has coordinates","300462","2025-07-06","13:12:38",""
"7134488","19.6053","0.0008","19.6053","0.0008","17.9744","0.0011","90","","90","","120","","5983.2","0.5","273.15","","273.15","","","","","","","","","5","P 63","P 6c","173","","","","- C36 H25 Fe3 O34 S6 -","- C36 H24.0021 Fe3 O34 S6 -","- C72 H48.0042 Fe6 O68 S12 -","2","0.333333","","Xue, Chaozhuang; Peng, Hui; Hou, Jinle; Qu, Konggang","Pore space partition on a sulfonate-rich metal–organic framework for purification of methane from natural gas","Chemical Communications","2025","61","45","8244","8247","10.1039/D5CC01014D","","","1.54178","CuKα","","0.1195","0.0597","","","0.1577","0.1966","","","","","","0.951","","","","has coordinates,has disorder","300517","2025-07-06","13:31:13",""
"7134489","19.2686","0.0013","19.2686","0.0013","18.143","0.002","90","","90","","120","","5833.6","0.9","100","","100","","","","","","","","","6","P 63","P 6c","173","","","","- C58 H30 Fe3 N9 O31 S6 -","- C58 H30 Fe3 N9 O31 S6 -","- C116 H60 Fe6 N18 O62 S12 -","2","0.333333","","Xue, Chaozhuang; Peng, Hui; Hou, Jinle; Qu, Konggang","Pore space partition on a sulfonate-rich metal–organic framework for purification of methane from natural gas","Chemical Communications","2025","61","45","8244","8247","10.1039/D5CC01014D","","","0.68887","synchrotronradiation","","0.1198","0.0985","","","0.2699","0.297","","","","","","1.285","","","","has coordinates,has disorder","300517","2025-07-06","13:31:13",""
"7134490","26.4918","0.0011","26.4918","0.0011","26.4918","0.0011","90","","90","","90","","18592.4","1.3","175","","175","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C168 H120 Fe4 N48 O12 -","- C168 H120 Fe4 N48 O12 -","- C336 H240 Fe8 N96 O24 -","2","0.0833333","","Hao, Yang; Yang, Yang; Yang, Fengyu; Shi, Youpeng; Jing, Xu; Duan, Chunying","An Ir(ppy)3 encapsulated metal–organic tetrahedral cage for photocatalytic dehydrogenation cross-couplings","Chemical Communications","2025","61","47","8576","8579","10.1039/D5CC01206F","","","1.34139","GaKα","","0.1079","0.1063","","","0.2813","0.2829","","","","","","1.125","","","","has coordinates","300475","2025-07-06","13:16:48",""
"7134491","16.7218","0.0015","17.6792","0.0015","34.026","0.003","96.548","0.002","100.632","0.002","100.345","0.002","9612.3","1.5","230","","230","","","","","","","","","7","P -1","-P 1","2","","","","- C158.54 H132.81 F36 Fe3 N46.27 O36 S12 -","- C138 H103 F18 Fe3 N40 O22 S6 -","- C276 H206 F36 Fe6 N80 O44 S12 -","2","1","","Hao, Yang; Yang, Yang; Yang, Fengyu; Shi, Youpeng; Jing, Xu; Duan, Chunying","An Ir(ppy)3 encapsulated metal–organic tetrahedral cage for photocatalytic dehydrogenation cross-couplings","Chemical Communications","2025","61","47","8576","8579","10.1039/D5CC01206F","","","0.71073","MoKα","","0.0781","0.0584","","","0.1452","0.1568","","","","","","1.031","","","","has coordinates,has disorder","300475","2025-07-06","13:16:50",""
"7134492","10.5361","0.0004","8.4344","0.0003","12.6771","0.0005","90","","98.8044","0.0013","90","","1113.28","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 O3 P -","- C11 H13 O3 P -","- C44 H52 O12 P4 -","4","2","","Souza, Edson Leonardo Scarpa de; Ahrens, Sebastian; Spannenberg, Anke; Neumann, Helfried; Junge, Kathrin; Correia, Carlos Roque Duarte; Jackstell, Ralf; Beller, Matthias","Development of highly efficient and selective palladium catalysts for telomerization of 1,3-butadiene with alcohols","Chemical Communications","2025","61","50","9083","9086","10.1039/D5CC01036E","","","1.54178","CuKα","","0.0257","0.025","","","0.0681","0.0692","","","","","","1.049","","","","has coordinates","300466","2025-07-06","13:13:37",""
"7134493","21.925","0.0015","15.3495","0.0011","23.0003","0.0019","90","","101.183","0.002","90","","7593.5","1","302","2","302.3","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H52 Co3 N8 O20 -","- C56 H24 Co3 N4 O16 -","- C224 H96 Co12 N16 O64 -","4","0.5","","Zhang, Dan; Zhang, Mengrui; Jing, Xu; Duan, Chunying","Carbazole-functionalized MOFs for efficient selective photocatalytic oxidation of thioethers to sulfoxides","Chemical Communications","2025","61","45","8260","8263","10.1039/D5CC01247C","","","0.71073","MoKα","","0.0556","0.0459","","","0.1528","0.1576","","","","","","1.069","","","","has coordinates","300511","2025-07-06","13:28:56",""
"7134494","21.3652","0.0009","15.6738","0.0006","22.9732","0.001","90","","98.797","0.002","90","","7602.6","0.5","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H66 Mn3 N10 O22 -","- C56 H24 Mn3 N4 O16 -","- C224 H96 Mn12 N16 O64 -","4","0.5","","Zhang, Dan; Zhang, Mengrui; Jing, Xu; Duan, Chunying","Carbazole-functionalized MOFs for efficient selective photocatalytic oxidation of thioethers to sulfoxides","Chemical Communications","2025","61","45","8260","8263","10.1039/D5CC01247C","","","0.71073","MoKα","","0.0729","0.0457","","","0.1278","0.1395","","","","","","1.033","","","","has coordinates","300511","2025-07-06","13:29:05",""
"7134495","13.1701","0.0008","6.1476","0.0003","22.2657","0.0013","90","","104.251","0.002","90","","1747.26","0.17","299","2","299","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C1.57 H1.41 O0.39 -","- C1.56863 H1.41176 O0.392157 -","- C80 H72 O20 -","51","12.75","","Bhadra, Sayan; Bandyopadhyay, Manas; Pathak, Swastik; Escorihuela, Jorge; Bera, Mrinal K.","Electrochemical oxidation of propargyl alcohol: rapid access to an unprecedented dioxo-orthoester under mild conditions","Chemical Communications","2025","61","43","7879","7882","10.1039/D5CC01677K","","","0.71073","MoKα","","0.1329","0.0619","","","0.1347","0.1863","","","","","","1.142","","","","has coordinates","300438","2025-07-06","13:02:55",""
"7134496","9.5045","0.0004","10.0122","0.0004","11.2032","0.0004","90","","112.142","0.005","90","","987.48","0.08","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H16 O0.5 Si0.5 -","- C11 H16 O0.5 Si0.5 -","- C44 H64 O2 Si2 -","4","2","","Kato, Ritsuki; Sakaue, Takaya; Tawatari, Tsukasa; Takasu, Kiyosei; Takikawa, Hiroshi","Arylative double bond transposition of allylic alcohols via silicon-tethered intramolecular benzyne–ene reactions","Chemical Communications","2025","61","46","8347","8350","10.1039/D5CC01918D","","x-ray","1.54184","CuKα","","0.0594","0.0522","","","0.1451","0.178","","","","","","1.16","","","","has coordinates","300460","2025-07-06","13:12:01",""
"7134497","7.62484","0.00017","37.0647","0.0005","7.72583","0.00013","90","","108.96","0.002","90","","2064.96","0.07","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 O Si -","- C23 H30 O Si -","- C92 H120 O4 Si4 -","4","1","","Kato, Ritsuki; Sakaue, Takaya; Tawatari, Tsukasa; Takasu, Kiyosei; Takikawa, Hiroshi","Arylative double bond transposition of allylic alcohols via silicon-tethered intramolecular benzyne–ene reactions","Chemical Communications","2025","61","46","8347","8350","10.1039/D5CC01918D","","x-ray","1.54184","CuKα","","0.0538","0.0526","","","0.1274","0.1281","","","","","","1.086","","","","has coordinates","300460","2025-07-06","13:12:01",""
"7134498","19.461","0.003","7.0742","0.0011","10.8476","0.0015","90","","103.577","0.01","90","","1451.7","0.4","298","","298","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C16 H21 N O -","- C16 H21 N O -","- C64 H84 N4 O4 -","4","0.5","","Gowda, Punith S.; Sharada, Duddu S.; Satyanarayana, Gedu","A TBADT-enabled photo-induced radical cyclization pathway: concise access to functionalized oxindoles","Chemical Communications","2025","61","46","8391","8394","10.1039/D5CC01590A","","","0.71073","MoKα","","0.1005","0.053","","","0.1283","0.1505","","","","","","1.031","","","","has coordinates,has disorder","300463","2025-07-06","13:12:57",""
"7134499","9.9735","0.0016","11.629","0.002","8.9604","0.0016","90","","98.377","0.006","90","","1028.2","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 I N O -","- C10 H8 I N O -","- C40 H32 I4 N4 O4 -","4","1","","Gowda, Punith S.; Sharada, Duddu S.; Satyanarayana, Gedu","A TBADT-enabled photo-induced radical cyclization pathway: concise access to functionalized oxindoles","Chemical Communications","2025","61","46","8391","8394","10.1039/D5CC01590A","","","0.71073","MoKα","","0.0377","0.034","","","0.0775","0.0813","","","","","","1.067","","","","has coordinates","300463","2025-07-06","13:12:58",""
"7134500","5.1369","0.0003","9.3444","0.0005","25.1733","0.0016","90","","92.3","0.002","90","","1207.38","0.12","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Gowda, Punith S.; Sharada, Duddu S.; Satyanarayana, Gedu","A TBADT-enabled photo-induced radical cyclization pathway: concise access to functionalized oxindoles","Chemical Communications","2025","61","46","8391","8394","10.1039/D5CC01590A","","","0.71073","MoKα","","0.0845","0.0536","","","0.1301","0.1483","","","","","","1.023","","","","has coordinates","300463","2025-07-06","13:12:58",""
"7134501","10.2452","0.0004","14.4399","0.0007","14.5364","0.0004","90","","90","","90","","2150.51","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Cl N O -","- C28 H24 Cl N O -","- C112 H96 Cl4 N4 O4 -","4","1","","Wang, Lishu; Wang, Han; Nie, Xukun; Li, Jun; Tang, Yurong; Cai, Yunfei","Stereoselective construction of 5-6-5 aza-tricyclic scaffolds via catalytic asymmetric aza-Piancatelli/Diels–Alder reactions","Chemical Communications","2025","61","46","8395","8398","10.1039/D5CC01888A","","","1.54178","CuKα","","0.052","0.0453","","","0.1216","0.1306","","","","","","0.98","","","","has coordinates","300465","2025-07-06","13:13:24",""
"7134502","11.5966","0.0003","12.6443","0.0003","14.8717","0.0004","68.725","0.001","70.726","0.001","67.345","0.001","1828.74","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","Fe(III)ClTPPMe4","","- C48 H36 Cl Fe N4 -","- C48 H36 Cl Fe N4 -","- C96 H72 Cl2 Fe2 N8 -","2","1","","Rathi, Shivani; Ahmad, Ikrar; Sankar, Muniappan","Unveiling the potential of tailored β-substituted iron-porphyrins for highly efficient oxygen reduction reactions (ORR)","Chemical Communications","2025","61","47","8512","8515","10.1039/D5CC01286D","","","0.71073","MoKα","","0.0405","0.0356","","","0.0976","0.1016","","","","","","1.043","","","","has coordinates","300472","2025-07-06","13:15:25",""
"7134503","6.5493","0.0002","10.4222","0.0004","33.5349","0.0011","90","","90","","90","","2289.03","0.14","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O2 Si -","- C24 H29 N O2 Si -","- C96 H116 N4 O8 Si4 -","4","1","","Li, Xin; Liu, Nai-Xuan; Sun, Jian-Ting; Nie, Xiao-Di; Si, Chang-Mei; Wei, Bang-Guo","An [(IPr)AuCl]-catalyzed formal [4+2] process of N-Ar N,O-acetals with arylacetylenes for the construction of pyrrolo[1,2-a]quinolines","Chemical Communications","2025","61","46","8411","8414","10.1039/D5CC01581B","","","1.54178","CuKα","","0.0836","0.0664","","","0.1805","0.2008","","","","","","1.038","","","","has coordinates,has disorder","300464","2025-07-06","13:13:16",""
"7134504","9.888","0.0003","11.0027","0.0003","13.3415","0.0004","90","","101.844","0.001","90","","1420.58","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl N O -","- C18 H14 Cl N O -","- C72 H56 Cl4 N4 O4 -","4","1","","Li, Xin; Liu, Nai-Xuan; Sun, Jian-Ting; Nie, Xiao-Di; Si, Chang-Mei; Wei, Bang-Guo","An [(IPr)AuCl]-catalyzed formal [4+2] process of N-Ar N,O-acetals with arylacetylenes for the construction of pyrrolo[1,2-a]quinolines","Chemical Communications","2025","61","46","8411","8414","10.1039/D5CC01581B","","","0.71073","MoKα","","0.0402","0.0351","","","0.0878","0.0926","","","","","","1.038","","","","has coordinates","300464","2025-07-06","13:13:16",""
"7134505","11.7069","0.0005","7.8689","0.0003","14.4296","0.0006","90","","105.523","0.004","90","","1280.77","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 F3 N2 -","- C15 H11 F3 N2 -","- C60 H44 F12 N8 -","4","1","","Liang, Miaomiao; Xu, Yuanshuang; Yang, Xueying; Zhang, Xinying; Fan, Xuesen","Synthesis of 2-CF3-indoles or 2-CF3-indolin-3-ones via anaerobic or aerobic reactions of N-phenylpyridin-2-amines with TFISYs","Chemical Communications","2025","61","48","8735","8738","10.1039/D5CC01652E","","x-ray","1.54184","CuKα","","0.0606","0.0552","","","0.157","0.1636","","","","","","1.108","","","","has coordinates","300486","2025-07-06","13:20:21",""
"7134506","17.0044","0.0006","10.7501","0.0003","18.938","0.0006","90","","90","","90","","3461.85","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H14 F3 N3 O -","- C20 H14 F3 N3 O -","- C160 H112 F24 N24 O8 -","8","1","","Liang, Miaomiao; Xu, Yuanshuang; Yang, Xueying; Zhang, Xinying; Fan, Xuesen","Synthesis of 2-CF3-indoles or 2-CF3-indolin-3-ones via anaerobic or aerobic reactions of N-phenylpyridin-2-amines with TFISYs","Chemical Communications","2025","61","48","8735","8738","10.1039/D5CC01652E","","x-ray","1.54184","CuKα","","0.0653","0.0522","","","0.1637","0.1984","","","","","","1.05","","","","has coordinates","300486","2025-07-06","13:20:21",""
"7134507","12.259","0.003","15.825","0.003","16.51","0.004","86.072","0.005","71.586","0.005","89.707","0.005","3031.3","1.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H20 Fe2 O6 P2 S2 -","- C31 H20 Fe2 O6 P2 S2 -","- C124 H80 Fe8 O24 P8 S8 -","4","2","","Munshi, Sandip; Ravel-Massol, Raphaël; Garcia-Serres, Ricardo; Suaud, Nicolas; Maurice, Rémi; Saffon-Merceron, Nathalie; Mézailles, Nicolas; Fustier-Boutignon, Marie","Freed from iron: easy release of a stable ketene from the reaction of CO with di-iron bis-μ2-alkylidenes","Chemical Communications","2025","61","48","8687","8690","10.1039/D5CC02019K","","","0.71073","MoKα","","0.1648","0.0823","","","0.1606","0.1938","","","","","","1.071","","","","has coordinates","300481","2025-07-06","13:19:04",""
"7134508","24.929","0.003","9.3898","0.0012","21.714","0.003","90","","112.245","0.003","90","","4704.5","1.1","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 O P2 S2 -","- C26 H20 O P2 S2 -","- C208 H160 O8 P16 S16 -","8","1","","Munshi, Sandip; Ravel-Massol, Raphaël; Garcia-Serres, Ricardo; Suaud, Nicolas; Maurice, Rémi; Saffon-Merceron, Nathalie; Mézailles, Nicolas; Fustier-Boutignon, Marie","Freed from iron: easy release of a stable ketene from the reaction of CO with di-iron bis-μ2-alkylidenes","Chemical Communications","2025","61","48","8687","8690","10.1039/D5CC02019K","","","0.71073","MoKα","","0.1173","0.0614","","","0.136","0.1646","","","","","","1.032","","","","has coordinates","300481","2025-07-06","13:19:05",""
"7134509","9.3023","0.0009","12.9358","0.0014","14.6401","0.0017","104.068","0.004","102.057","0.004","90.055","0.004","1668.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Bi Cl4 N2 P -","- C34 H28 Bi Cl4 N2 P -","- C68 H56 Bi2 Cl8 N4 P2 -","2","1","","Zhang, Bo-Lun; Song, Wen-Tao; Zhang, Jian-Jun; Chen, Jun; Miao, Lei; Shi, Wen-Jing; Wang, Rui-Hong; Cai, Mengmeng; Ni, Jun; Zhao, Zongbin","Awakening of high-energy phosphorescence by enhanced weak interactions for ratiometric detection of trichloromethane vapor","Chemical Communications","2025","61","47","8560","8563","10.1039/D5CC01812A","","","0.71073","MoKα","","0.0363","0.0318","","","0.0804","0.083","","","","","","1.083","","","","has coordinates","300473","2025-07-06","13:15:39",""
"7134510","8.948","0.003","13.456","0.005","17.067","0.006","71.085","0.011","76.978","0.012","83.504","0.012","1892.2","1.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 Bi Cl7 N2 O0.5 P -","- C35 H29 Bi Cl7 N2 O0.5 P -","- C70 H58 Bi2 Cl14 N4 O P2 -","2","1","","Zhang, Bo-Lun; Song, Wen-Tao; Zhang, Jian-Jun; Chen, Jun; Miao, Lei; Shi, Wen-Jing; Wang, Rui-Hong; Cai, Mengmeng; Ni, Jun; Zhao, Zongbin","Awakening of high-energy phosphorescence by enhanced weak interactions for ratiometric detection of trichloromethane vapor","Chemical Communications","2025","61","47","8560","8563","10.1039/D5CC01812A","","","0.71073","MoKα","","0.0448","0.0354","","","0.087","0.0908","","","","","","1.049","","","","has coordinates,has disorder","300473","2025-07-06","13:15:39",""
"7134511","17.7996","0.0017","19.284","0.0018","21.9051","0.0019","111.005","0.003","99.5","0.003","110.975","0.003","6171.8","1","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","","","- C234 H232 Cu6 N30 O16 P12 Re4 -","- C234 H232 Cu6 N30 O16 P12 Re4 -","- C234 H232 Cu6 N30 O16 P12 Re4 -","1","0.5","","Liberka, Michal; Gas, Piotr; Chorazy, Szymon","Decanuclear {CuI6ReV4} clusters utilizing cyanido and nitrido molecular bridges as efficient ligand-modulated luminophores","Chemical Communications","2025","61","47","8580","8583","10.1039/D5CC00403A","","x-ray","0.71073","MoKα","","0.0576","0.0431","","","0.1096","0.1198","","","","","","1.032","","","","has coordinates,has disorder","300480","2025-07-06","13:18:39",""
"7134512","17.8452","0.0019","19.7115","0.0019","21.973","0.002","111.983","0.003","99.066","0.003","110.968","0.003","6301.9","1.1","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","","","- C242.2 H224.8 Cu6 N31.6 O14.6 P12 Re4 -","- C242.196 H224.8 Cu6 N31.5992 O14.5992 P12 Re4 -","- C242.196 H224.8 Cu6 N31.5992 O14.5992 P12 Re4 -","1","0.5","","Liberka, Michal; Gas, Piotr; Chorazy, Szymon","Decanuclear {CuI6ReV4} clusters utilizing cyanido and nitrido molecular bridges as efficient ligand-modulated luminophores","Chemical Communications","2025","61","47","8580","8583","10.1039/D5CC00403A","","x-ray","0.71073","MoKα","","0.104","0.0649","","","0.149","0.1759","","","","","","1.019","","","","has coordinates,has disorder","300480","2025-07-06","13:18:39",""
"7134513","8.7303","0.0008","54.337","0.006","21.586","0.002","90","","92.476","0.003","90","","10230.4","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58.45 H44.9 Cl0.9 N7 P2 Re -","- C58.45 H44.9 Cl0.9 N7 P2 Re -","- C467.6 H359.2 Cl7.2 N56 P16 Re8 -","8","2","","Liberka, Michal; Gas, Piotr; Chorazy, Szymon","Decanuclear {CuI6ReV4} clusters utilizing cyanido and nitrido molecular bridges as efficient ligand-modulated luminophores","Chemical Communications","2025","61","47","8580","8583","10.1039/D5CC00403A","","x-ray","0.71073","MoKα","","0.0826","0.0608","","","0.107","0.1174","","","","","","1.087","","","","has coordinates,has disorder","300480","2025-07-06","13:18:39",""
"7134514","8.336","0.0007","14.4518","0.0013","21.376","0.002","90","","91.822","0.003","90","","2573.9","0.4","125","2","125","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C59 H49 N6 O3 P2 Re -","- C59 H49 N6 O3 P2 Re -","- C118 H98 N12 O6 P4 Re2 -","2","1","","Liberka, Michal; Gas, Piotr; Chorazy, Szymon","Decanuclear {CuI6ReV4} clusters utilizing cyanido and nitrido molecular bridges as efficient ligand-modulated luminophores","Chemical Communications","2025","61","47","8580","8583","10.1039/D5CC00403A","","x-ray","0.71073","MoKα","","0.042","0.0379","","","0.07","0.0724","","","","","","0.968","","","","has coordinates","300480","2025-07-06","13:18:39",""
"7134515","17.768","0.002","9.5496","0.001","27.529","0.003","90","","102.419","0.003","90","","4561.7","0.9","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 N5 P2 Re -","- C44 H34 N5 P2 Re -","- C176 H136 N20 P8 Re4 -","4","1","","Liberka, Michal; Gas, Piotr; Chorazy, Szymon","Decanuclear {CuI6ReV4} clusters utilizing cyanido and nitrido molecular bridges as efficient ligand-modulated luminophores","Chemical Communications","2025","61","47","8580","8583","10.1039/D5CC00403A","","x-ray","0.71073","MoKα","","0.0855","0.0685","","","0.1555","0.1643","","","","","","1.017","","","","has coordinates,has disorder","300480","2025-07-06","13:18:39",""
"7134516","13.4644","0.0019","17.279","0.003","13.82","0.003","90","","119.085","0.004","90","","2809.8","0.9","125","2","125","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H54 N6 O4 P2 Re -","- C62 H54 N6 O4 P2 Re -","- C124 H108 N12 O8 P4 Re2 -","2","1","","Liberka, Michal; Gas, Piotr; Chorazy, Szymon","Decanuclear {CuI6ReV4} clusters utilizing cyanido and nitrido molecular bridges as efficient ligand-modulated luminophores","Chemical Communications","2025","61","47","8580","8583","10.1039/D5CC00403A","","x-ray","0.71073","MoKα","","0.1267","0.0889","","","0.169","0.1879","","","","","","1.069","","","","has coordinates,has disorder","300480","2025-07-06","13:18:39",""
"7134517","17.501","0.002","18.19","0.003","22.25","0.003","71.562","0.005","72.401","0.005","62.918","0.005","5876.7","1.5","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","","","- C243 H230 Cu6 N32 O17 P12 Re4 -","- C243 H230 Cu6 N32 O17 P12 Re4 -","- C243 H230 Cu6 N32 O17 P12 Re4 -","1","0.5","","Liberka, Michal; Gas, Piotr; Chorazy, Szymon","Decanuclear {CuI6ReV4} clusters utilizing cyanido and nitrido molecular bridges as efficient ligand-modulated luminophores","Chemical Communications","2025","61","47","8580","8583","10.1039/D5CC00403A","","x-ray","0.71073","MoKα","","0.0887","0.0545","","","0.1047","0.1235","","","","","","1.005","","","","has coordinates,has disorder","300480","2025-07-06","13:18:39",""
"7134518","17.8262","0.0018","19.473","0.002","21.915","0.002","111.371","0.003","99.586","0.003","110.633","0.003","6238.7","1.1","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","","","- C228.22 H176 Cu6 N33.29 O0.36 P12 Re4 -","- C228.219 H176 Cu6 N33.2876 O0.3562 P12 Re4 -","- C228.219 H176 Cu6 N33.2876 O0.3562 P12 Re4 -","1","0.5","","Liberka, Michal; Gas, Piotr; Chorazy, Szymon","Decanuclear {CuI6ReV4} clusters utilizing cyanido and nitrido molecular bridges as efficient ligand-modulated luminophores","Chemical Communications","2025","61","47","8580","8583","10.1039/D5CC00403A","","x-ray","0.71073","MoKα","","0.0739","0.0501","","","0.1051","0.1179","","","","","","0.993","","","","has coordinates,has disorder","300480","2025-07-06","13:18:39",""
"7134519","12.2927","0.0012","7.5486","0.0007","23.983","0.002","90","","103.267","0.003","90","","2166.1","0.3","158","","158","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N4 Sb -","- C24 H25 N4 Sb -","- C96 H100 N16 Sb4 -","4","1","","Zhang, Lingjie; Huang, Minghao; Zhou, Jiliang","A dicationic distibine stabilized by intramolecular π–π interaction and second-sphere coordination","Chemical Communications","2025","61","47","8592","8595","10.1039/D5CC01730K","","","0.71073","MoKα","","0.0486","0.034","","","0.0898","0.099","","","","","","1.026","","","","has coordinates","300478","2025-07-06","13:17:40",""
"7134520","12.196","0.002","15.812","0.003","16.798","0.003","73.724","0.004","70.084","0.004","76.072","0.004","2885.5","0.9","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H53 Co2 N9 O7 Sb2 -","- C57 H53 Co2 N9 O7 Sb2 -","- C114 H106 Co4 N18 O14 Sb4 -","2","1","","Zhang, Lingjie; Huang, Minghao; Zhou, Jiliang","A dicationic distibine stabilized by intramolecular π–π interaction and second-sphere coordination","Chemical Communications","2025","61","47","8592","8595","10.1039/D5CC01730K","","","0.71073","MoKα","","0.0315","0.0252","","","0.0585","0.0622","","","","","","1.052","","","","has coordinates","300478","2025-07-06","13:17:40",""
"7134521","19.8847","0.0005","14.7666","0.0004","23.377","0.0006","90","","96.49","0.001","90","","6820.2","0.3","153","","153","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H37 F6 N4 P Sb -","- C34.5 H37 F6 N4 P Sb -","- C276 H296 F48 N32 P8 Sb8 -","8","1","","Zhang, Lingjie; Huang, Minghao; Zhou, Jiliang","A dicationic distibine stabilized by intramolecular π–π interaction and second-sphere coordination","Chemical Communications","2025","61","47","8592","8595","10.1039/D5CC01730K","","","0.71073","MoKα","","0.0252","0.0238","","","0.0598","0.0606","","","","","","1.125","","","","has coordinates,has disorder","300478","2025-07-06","13:17:40",""
"7134522","10.0397","0.0003","10.2947","0.0002","11.3136","0.0004","84.709","0.002","76.197","0.003","89.722","0.002","1130.54","0.06","293","2","293","","","","","","","","","5","P -1","-P 1","2","","1","","- C22 H28 N2 O5 S -","- C22 H28 N2 O5 S -","- C44 H56 N4 O10 S2 -","2","1","","Zhang, Li-Hua; Xie, Yang; Xuan, Jun","Dearomatizative aminoetherification and diamination of indoles enabled by photochemical nitrene transfer reactions","Chemical Communications","2025","61","47","8528","8531","10.1039/D5CC02416A","","x-ray","1.54184","CuKα","","0.0539","0.0499","","","0.1418","0.1459","","","","","","1.085","","","","has coordinates,has disorder","300476","2025-07-06","13:17:02",""
"7134523","8.7665","0.0007","18.8687","0.0013","8.1487","0.0005","90","","102.511","0.007","90","","1315.89","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O -","- C15 H19 N O -","- C60 H76 N4 O4 -","4","1","","Ghosh, Arijit; Pawar, Amit B.","Harnessing sulfilimine as an oxidizing directing group in Cp*Co(iii)-catalyzed [4+2] annulation with alkynes and 1,3-diynes","Chemical Communications","2025","61","45","8240","8243","10.1039/D5CC01230A","","x-ray","1.54184","CuKα","","0.0721","0.0568","","","0.1546","0.176","","","","","","0.987","","","","has coordinates","300512","2025-07-06","13:29:18",""
"7134524","10.5297","0.0004","13.4796","0.0004","18.0553","0.0005","90","","92.422","0.003","90","","2560.41","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 N O -","- C31 H31 N O -","- C124 H124 N4 O4 -","4","1","","Ghosh, Arijit; Pawar, Amit B.","Harnessing sulfilimine as an oxidizing directing group in Cp*Co(iii)-catalyzed [4+2] annulation with alkynes and 1,3-diynes","Chemical Communications","2025","61","45","8240","8243","10.1039/D5CC01230A","","x-ray","1.54184","CuKα","","0.0953","0.0748","","","0.2116","0.2507","","","","","","1.03","","","","has coordinates","300512","2025-07-06","13:29:18",""
"7134525","13.9965","0.0004","9.6084","0.0003","15.2172","0.0005","90","","90.161","0.001","90","","2046.46","0.11","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(1-diazo-2,2-difluoro-2-(phenylsulfonyl)ethyl)(phenyl)-iodaneyl trifluoromethanesulfonate","","- C15 H10 F5 I N2 O5 S2 -","- C15 H10 F5 I N2 O5 S2 -","- C60 H40 F20 I4 N8 O20 S8 -","4","1","","Yuan, Zong-Rui; Sun, Meng-Qi; Chen, Wei-Chen; Zhang, Zhi-Qi; Ma, Jun-An; Zhang, Fa-Guang","Transition metal/photocatalyst-free skeletal editing of indene with iodonium difluorodiazo reagent to access 2-(difluoromethyl)naphthalene","Chemical Communications","2025","61","48","8667","8670","10.1039/D5CC01777G","","","0.71073","MoKα","","0.0696","0.0446","","","0.0886","0.1018","","","","","","1.05","","","","has coordinates","300483","2025-07-06","13:19:32",""
"7134526","8.0436","0.0001","64.4922","0.001","8.4579","0.0001","90","","90","","90","","4387.53","0.1","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H29 F2 N O2 -","- C26 H29 F2 N O2 -","- C208 H232 F16 N8 O16 -","8","1","","Yuan, Zong-Rui; Sun, Meng-Qi; Chen, Wei-Chen; Zhang, Zhi-Qi; Ma, Jun-An; Zhang, Fa-Guang","Transition metal/photocatalyst-free skeletal editing of indene with iodonium difluorodiazo reagent to access 2-(difluoromethyl)naphthalene","Chemical Communications","2025","61","48","8667","8670","10.1039/D5CC01777G","","x-ray","1.54184","CuKα","","0.0764","0.0742","","","0.1928","0.1939","","","","","","1.154","","","","has coordinates","300483","2025-07-06","13:19:34",""
"7134527","10.702","0.002","11.213","0.002","12.216","0.002","107.31","0.006","104.509","0.006","102.423","0.006","1286.6","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H52 I2 N4 O3 S4 -","- C54 H52 I2 N4 O3 S4 -","- C54 H52 I2 N4 O3 S4 -","1","0.5","","Guan, Li; Li, Jun; Zhou, Yanyan; Li, Anyang; Yin, Lili; Guan, Wenhui; Fu, Yile","Construction of polymethine chain-modified pentamethylene cyanine dyes for G-quadruplex imaging in live cells","Chemical Communications","2025","61","48","8719","8722","10.1039/D5CC00436E","","","0.71073","MoKα","","0.1668","0.0989","","","0.2256","0.2558","","","","","","1.09","","","","has coordinates","300482","2025-07-06","13:19:17",""
"7134528","21.8221","0.0012","10.4425","0.0005","23.4492","0.0012","90","","95.989","0.001","90","","5314.4","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","25030","4-methyl-3,5,6-triphenyl-2-(p-tolyl)-2,3-dihydropyrimidin-1-ium chloride","","- C30.5 H28 Cl2 N2 -","- C30.5 H28 Cl2 N2 -","- C244 H224 Cl16 N16 -","8","1","","Dunscomb, Rachel J.; Frye, Connor W.; Murray, Xavier; Tonks, Ian A.","1,2-Dihydropyrimidine synthesis via titanium-mediated multicomponent coupling of alkynes, nitriles, and aldehydes","Chemical Communications","2025","61","48","8695","8698","10.1039/D5CC01979F","","","0.71073","MoKα","","0.0536","0.0466","","","0.1147","0.1181","","","","","","1.063","","","","has coordinates","300484","2025-07-06","13:19:53",""
"7134529","25.6226","0.0002","19.4121","0.0002","7.0602","0.0001","90","","90","","90","","3511.66","0.07","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H19 N O4 Se -","- C19 H19 N O4 Se -","- C152 H152 N8 O32 Se8 -","8","2","","Cao, Ren-Fei; Wei, Zheng-Wei; Li, Shu-Kun; Ding, Tong-Mei; Ke, Hua; Chen, Zhi-Min","Organocatalytic asymmetric electrophilic tandem selenylation semipinacol rearrangement of 1-(1-arylvinyl)cyclobutanols","Chemical Communications","2025","61","47","8532","8535","10.1039/D5CC01919B","","x-ray","1.54184","CuKα","","0.0471","0.0442","","","0.1232","0.1262","","","","","","1.052","","","","has coordinates","300477","2025-07-06","13:17:17",""
"7134530","7.23267","0.00006","28.5347","0.0002","8.41764","0.00008","90","","103.353","0.0009","90","","1690.29","0.03","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","(1S,2R)-2-(((4-fluoro-2-nitrophenyl)selanyl)methyl)-2-phenylcyclopentan-1-ol","(1S,2R)-2-(((4-fluoro-2-nitrophenyl)selanyl)methyl)-2-phenylcyclopentan-1-ol","","- C18 H18 F N O3 Se -","- C18 H18 F N O3 Se -","- C72 H72 F4 N4 O12 Se4 -","4","2","","Cao, Ren-Fei; Wei, Zheng-Wei; Li, Shu-Kun; Ding, Tong-Mei; Ke, Hua; Chen, Zhi-Min","Organocatalytic asymmetric electrophilic tandem selenylation semipinacol rearrangement of 1-(1-arylvinyl)cyclobutanols","Chemical Communications","2025","61","47","8532","8535","10.1039/D5CC01919B","","x-ray","1.54184","CuKα","","0.0345","0.0327","","","0.0856","0.0867","","","","","","1.043","","","","has coordinates","300477","2025-07-06","13:17:18",""
"7134531","8.7842","0.0003","12.4619","0.0003","13.8984","0.0005","90","","90","","90","","1521.43","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H16 Br5 N2 Sb -","- C7 H16 Br5 N2 Sb -","- C28 H64 Br20 N8 Sb4 -","4","1","","Wei, Ying; Zhou, Jie; Zhou, Lin; Wei, Zhenhong","Three antimony-based organic–inorganic hybrid perovskites (1,4-3.2.2-H2dabcn)SbX5 (X = Cl, Br, I) show progressively decreasing phase transition temperatures and bandgaps","Chemical Communications","2025","61","47","8600","8603","10.1039/D5CC01861G","","","0.71073","MoKα","","0.0397","0.0323","","","0.0709","0.0752","","","","","","1.063","","","","has coordinates","300474","2025-07-06","13:16:07",""
"7134532","14.1887","0.0013","8.8334","0.0007","12.4471","0.001","90","","90","","90","","1560.1","0.2","420.02","0.1","420.02","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 Br10 N4 Sb2 -","- C14 Br10 N4 Sb2 -","- C28 Br20 N8 Sb4 -","2","0.25","","Wei, Ying; Zhou, Jie; Zhou, Lin; Wei, Zhenhong","Three antimony-based organic–inorganic hybrid perovskites (1,4-3.2.2-H2dabcn)SbX5 (X = Cl, Br, I) show progressively decreasing phase transition temperatures and bandgaps","Chemical Communications","2025","61","47","8600","8603","10.1039/D5CC01861G","","x-ray","0.71073","MoKα","","0.0838","0.0588","","","0.1549","0.1707","","","","","","1.074","","","","has coordinates,has disorder","300474","2025-07-06","13:16:07",""
"7134533","14.8591","0.0005","13.0389","0.0004","9.1663","0.0002","90","","90","","90","","1775.94","0.09","298","2","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H16 I5 N2 Sb -","- C7 H16 I5 N2 Sb -","- C28 H64 I20 N8 Sb4 -","4","1","","Wei, Ying; Zhou, Jie; Zhou, Lin; Wei, Zhenhong","Three antimony-based organic–inorganic hybrid perovskites (1,4-3.2.2-H2dabcn)SbX5 (X = Cl, Br, I) show progressively decreasing phase transition temperatures and bandgaps","Chemical Communications","2025","61","47","8600","8603","10.1039/D5CC01861G","","","0.71073","MoKα","","0.0393","0.0377","","","0.0978","0.0989","","","","","","1.06","","","","has coordinates","300474","2025-07-06","13:16:07",""
"7134534","13.9507","0.0009","8.5795","0.0005","11.995","0.0007","90","","90","","90","","1435.68","0.15","468","0.1","468","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 Cl10 N4 Sb2 -","- C14 Cl10 N4 Sb2 -","- C28 Cl20 N8 Sb4 -","2","0.25","","Wei, Ying; Zhou, Jie; Zhou, Lin; Wei, Zhenhong","Three antimony-based organic–inorganic hybrid perovskites (1,4-3.2.2-H2dabcn)SbX5 (X = Cl, Br, I) show progressively decreasing phase transition temperatures and bandgaps","Chemical Communications","2025","61","47","8600","8603","10.1039/D5CC01861G","","x-ray","0.71073","MoKα","","0.0719","0.0519","","","0.1506","0.1634","","","","","","1.1","","","","has coordinates","300474","2025-07-06","13:16:07",""
"7134535","14.8988","0.0007","9.196","0.0004","13.1209","0.0006","90","","90","","90","","1797.69","0.14","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 I10 N4 Sb2 -","- C14 I10 N4 Sb2 -","- C28 I20 N8 Sb4 -","2","0.25","","Wei, Ying; Zhou, Jie; Zhou, Lin; Wei, Zhenhong","Three antimony-based organic–inorganic hybrid perovskites (1,4-3.2.2-H2dabcn)SbX5 (X = Cl, Br, I) show progressively decreasing phase transition temperatures and bandgaps","Chemical Communications","2025","61","47","8600","8603","10.1039/D5CC01861G","","","0.71073","MoKα","","0.0559","0.0457","","","0.1214","0.1289","","","","","","1.056","","","","has coordinates","300474","2025-07-06","13:16:07",""
"7134536","8.5619","0.0002","11.9096","0.0002","13.6606","0.0004","90","","90","","90","","1392.96","0.06","298","2","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H15 Cl5 N2 Sb -","- C7 H16 Cl5 N2 Sb -","- C28 H64 Cl20 N8 Sb4 -","4","1","","Wei, Ying; Zhou, Jie; Zhou, Lin; Wei, Zhenhong","Three antimony-based organic–inorganic hybrid perovskites (1,4-3.2.2-H2dabcn)SbX5 (X = Cl, Br, I) show progressively decreasing phase transition temperatures and bandgaps","Chemical Communications","2025","61","47","8600","8603","10.1039/D5CC01861G","","","0.71073","MoKα","","0.0314","0.0289","","","0.0713","0.0728","","","","","","1.043","","","","has coordinates","300474","2025-07-06","13:16:07",""
"7134537","19.1986","0.0012","7.3351","0.0005","16.724","0.001","90","","95.816","0.002","90","","2343","0.3","273.15","","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Photon","","- C2.43 H1.57 N0.35 O0.61 -","- C2.43478 H1.56522 N0.347826 O0.608696 -","- C112 H72 N16 O28 -","46","5.75","","Sau, Subham; Das, Krishna Mohan; Thakur, Arunabha","Visible-light triggered Cu-catalyzed C–H bond activation to afford isocoumarin and isoquinolinone scaffolds at room temperature","Chemical Communications","2025","61","49","8851","8854","10.1039/D5CC01651G","","","0.71073","MoKα","","0.0928","0.0582","","","0.1555","0.2107","","","","","","1.168","","","","has coordinates","300505","2025-07-06","13:26:45",""
"7134538","7.5805","0.0006","8.7953","0.0007","15.9373","0.0012","94.493","0.003","102.417","0.002","97.971","0.003","1021.26","0.14","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","Photon","","- C21 H17 N5 O4 S -","- C21 H17 N5 O4 S -","- C42 H34 N10 O8 S2 -","2","1","","Sau, Subham; Das, Krishna Mohan; Thakur, Arunabha","Visible-light triggered Cu-catalyzed C–H bond activation to afford isocoumarin and isoquinolinone scaffolds at room temperature","Chemical Communications","2025","61","49","8851","8854","10.1039/D5CC01651G","","","0.71073","MoKα","","0.1775","0.1231","","","0.3678","0.4441","","","","","","1.573","","","","has coordinates","300505","2025-07-06","13:26:45",""
"7134539","11.907","0.0017","17.303","0.002","20.936","0.003","90","","97.553","0.004","90","","4276","1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1","","- C50 H84 Br8 Dy6 N14 O28 -","- C42 H62 Br8 Dy6 N12 O24 -","- C84 H124 Br16 Dy12 N24 O48 -","2","0.5","","Yang, Qianqian; Wu, Jianfeng; Zhao, Chen; Ying, Xu; Zhu, Dong-Mei; Guo, Xuefeng; Liu, Dan; Zhang, Yi-Quan; Tang, Jinkui","Coupling Dy3 toroics in macrocycles","Chemical Communications","2025","61","48","8751","8754","10.1039/D4CC06785A","","","0.71073","MoKα","","0.0973","0.0683","","","0.17","0.1849","","","","","","1.036","","","","has coordinates","300485","2025-07-06","13:20:10",""
"7134540","17.3825","0.0004","14.0926","0.0003","16.5564","0.0004","90","","107.986","0.001","90","","3857.54","0.15","120","2","120","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C28 H77.19 Mo4 N4 O64.59 P8 V4 -","- C28 H77.1804 Mo4 N4 O64.5922 P8 V4 -","- C56 H154.361 Mo8 N8 O129.184 P16 V8 -","2","0.25","","Morla, Kalyankumar S.; Thakre, Dewendra; Mourya, Adarsh K.; Singh, Piyush; Karnamkkott, Harsha S.; Ahamed, Subuhan; Sahoo, Subham; Bhattacharya, Ishita; Banerjee, Siddhartha; Sarma, Debajit; Mondal, Kartik Chandra; Ghosh, Sujit Kumar; Wankhade, Atul V.; Banerjee, Abhishek","A mixed metallic and mixed valence MoV4VIV2VIII2 complex as an electron transfer photo-catalyst for the hydrogen evolution reaction","Chemical Communications","2025","61","49","8919","8922","10.1039/D5CC00117J","","","0.71073","MoKα","","0.0417","0.0406","","","0.1041","0.105","","","","","","1.027","","","","has coordinates,has disorder","300502","2025-07-06","13:25:23",""
"7134541","12.4325","0.0004","10.9812","0.0004","17.2749","0.0006","90","","99.879","0.001","90","","2323.46","0.14","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H46 Mo4 N2 O42 P4 V -","- C14 H46 Mo4 N2 O42 P4 V -","- C28 H92 Mo8 N4 O84 P8 V2 -","2","1","","Morla, Kalyankumar S.; Thakre, Dewendra; Mourya, Adarsh K.; Singh, Piyush; Karnamkkott, Harsha S.; Ahamed, Subuhan; Sahoo, Subham; Bhattacharya, Ishita; Banerjee, Siddhartha; Sarma, Debajit; Mondal, Kartik Chandra; Ghosh, Sujit Kumar; Wankhade, Atul V.; Banerjee, Abhishek","A mixed metallic and mixed valence MoV4VIV2VIII2 complex as an electron transfer photo-catalyst for the hydrogen evolution reaction","Chemical Communications","2025","61","49","8919","8922","10.1039/D5CC00117J","","","0.71073","MoKα","","0.041","0.04","","","0.101","0.1021","","","","","","1.079","","","","has coordinates,has disorder","300502","2025-07-06","13:25:25",""
"7134542","5.6866","0.0001","20.2872","0.0003","48.7011","0.0007","90","","93.313","0.001","90","","5609.02","0.15","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C272 H256 N16 O40 S8 -","- C272 H256 N16 O40 S8 -","- C272 H256 N16 O40 S8 -","1","0.25","","Maitra, Chandrima; Chuang, Ting-Yi; Yang, Tzuhsiung; Liu, Rai-Shung","Gold-catalyzed bicyclic annulations between 4-hydroxy-1,5-diynamides and nitrones for the synthesis of cyclopentene-fused isoxazole carboxamides","Chemical Communications","2025","61","49","8931","8934","10.1039/D5CC00353A","","x-ray","1.54184","CuKα","","0.0463","0.0431","","","0.1057","0.1077","","","","","","1.042","","","","has coordinates","300504","2025-07-06","13:26:17",""
"7134543","9.1231","0.0002","10.6595","0.0003","19.4826","0.0007","76.205","0.002","81.449","0.002","76.849","0.002","1782.77","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 N2 O5 S -","- C38 H38 N2 O5 S -","- C76 H76 N4 O10 S2 -","2","1","","Maitra, Chandrima; Chuang, Ting-Yi; Yang, Tzuhsiung; Liu, Rai-Shung","Gold-catalyzed bicyclic annulations between 4-hydroxy-1,5-diynamides and nitrones for the synthesis of cyclopentene-fused isoxazole carboxamides","Chemical Communications","2025","61","49","8931","8934","10.1039/D5CC00353A","","x-ray","1.54184","CuKα","","0.0477","0.043","","","0.117","0.1205","","","","","","1.051","","","","has coordinates","300504","2025-07-06","13:26:28",""
"7134544","13.713","0.0001","14.0218","0.0001","18.249","0.0002","110.301","0.001","109.587","0.001","94.916","0.001","3018.42","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 Cl N2 O4 S -","- C33 H29 Cl N2 O4 S -","- C132 H116 Cl4 N8 O16 S4 -","4","2","","Maitra, Chandrima; Chuang, Ting-Yi; Yang, Tzuhsiung; Liu, Rai-Shung","Gold-catalyzed bicyclic annulations between 4-hydroxy-1,5-diynamides and nitrones for the synthesis of cyclopentene-fused isoxazole carboxamides","Chemical Communications","2025","61","49","8931","8934","10.1039/D5CC00353A","","x-ray","1.54184","CuKα","","0.0357","0.0339","","","0.0819","0.0831","","","","","","1.033","","","","has coordinates","300504","2025-07-06","13:26:30",""
"7134545","10.0638","0.0008","20.4928","0.0017","29.083","0.002","90","","90","","90","","5997.9","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Nickel-Organic Compound","","","- C26 H21 N5 Ni2 O10 -","- C26 H21 N5 Ni2 O10 -","- C208 H168 N40 Ni16 O80 -","8","1","","Das, Chhatan; Naskar, Pappu; Banerjee, Anjan; Laha, Sourav; Mukherjee, Moumita; Datta, Ayan; Mahata, Partha","Unlocking enhanced hydrogen evolution with a bimetal–organic framework: a synergistic approach","Chemical Communications","2025","61","50","9107","9110","10.1039/D5CC00680E","","","0.71073","MoKα","","0.113","0.067","","","0.0856","0.0986","","","","","","1.188","","","","has coordinates","300468","2025-07-06","13:14:11",""
"7134546","8.5419","0.0006","12.0415","0.0009","13.374","0.0011","68.584","0.002","76.132","0.002","76.223","0.002","1225.92","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 B Br N4 O2 -","- C22 H34 B Br N4 O2 -","- C44 H68 B2 Br2 N8 O4 -","2","1","","Sharma, Raju; Kenguva, Gowtham; Dandela, Rambabu; Daw, Prosenjit","Boron appended Ru-NHC catalyzed selective deoxygenative hydrogenation of tertiary amides and desulfurization of thioamides","Chemical Communications","2025","61","52","9460","9463","10.1039/D5CC00399G","","","0.71073","MoKα","","0.0571","0.0395","","","0.1153","0.1325","","","","","","0.861","","","","has coordinates","300459","2025-07-06","13:11:17",""
"7134547","18.2664","0.001","13.851","0.0007","14.4079","0.0008","90","","90.422","0.002","90","","3645.2","0.3","273.15","","273.15","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H47 B Cl F6 N4 O2 P Ru -","- C32 H47 B Cl F6 N4 O2 P Ru -","- C128 H188 B4 Cl4 F24 N16 O8 P4 Ru4 -","4","1","","Sharma, Raju; Kenguva, Gowtham; Dandela, Rambabu; Daw, Prosenjit","Boron appended Ru-NHC catalyzed selective deoxygenative hydrogenation of tertiary amides and desulfurization of thioamides","Chemical Communications","2025","61","52","9460","9463","10.1039/D5CC00399G","","","0.71073","MoKα","","0.0486","0.0424","","","0.1025","0.1072","","","","","","1.073","","","","has coordinates,has disorder","300459","2025-07-06","13:11:18",""
"7134548","13.9122","0.0006","14.0705","0.0007","19.039","0.0009","105.727","0.004","99.055","0.004","103.428","0.004","3391.3","0.3","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C55 H85 B10 Cl0 Cu N6 Si3 -","- C55 H85 B10 Cu N6 Si3 -","- C110 H170 B20 Cu2 N12 Si6 -","2","1","","Shan, Changkai; Dai, Chenshu; Yao, Shenglai; Zhu, Jun; Driess, Matthias","Unprecedented bis(silylene)-supported silylone–metal complexes with Si0→ CuI, Si0→ NiI, and Si0→ NiII dative bonds","Chemical Communications","2025","61","49","8875","8878","10.1039/D5CC02098K","","","1.54184","CuKα","","0.0844","0.0524","","","0.1183","0.1368","","","","","","0.976","","","","has coordinates","300503","2025-07-06","13:25:48",""
"7134549","8.6854","0.0003","9.9657","0.0003","13.5329","0.0005","70.233","0.003","83.025","0.003","79.949","0.003","1082.95","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","NacNacCu-CO","","- C24 H29 Cu N2 O -","- C24 H29 Cu N2 O -","- C48 H58 Cu2 N4 O2 -","2","1","","Shan, Changkai; Dai, Chenshu; Yao, Shenglai; Zhu, Jun; Driess, Matthias","Unprecedented bis(silylene)-supported silylone–metal complexes with Si0→ CuI, Si0→ NiI, and Si0→ NiII dative bonds","Chemical Communications","2025","61","49","8875","8878","10.1039/D5CC02098K","","","1.54184","CuKα","","0.044","0.0428","","","0.123","0.1239","","","","","","1.051","","","","has coordinates","300503","2025-07-06","13:25:49",""
"7134550","20.2917","0.0004","15.5689","0.0002","25.7309","0.0004","90","","106.87","0.002","90","","7779.1","0.2","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C75 H113 B10 N6 Ni Si3 -","- C75 H113 B10 N6 Ni Si3 -","- C300 H452 B40 N24 Ni4 Si12 -","4","0.5","","Shan, Changkai; Dai, Chenshu; Yao, Shenglai; Zhu, Jun; Driess, Matthias","Unprecedented bis(silylene)-supported silylone–metal complexes with Si0→ CuI, Si0→ NiI, and Si0→ NiII dative bonds","Chemical Communications","2025","61","49","8875","8878","10.1039/D5CC02098K","","","1.54184","CuKα","","0.057","0.047","","","0.1231","0.1329","","","","","","1.053","","","","has coordinates,has disorder","300503","2025-07-06","13:25:49",""
"7134551","16.2051","0.001","18.1741","0.001","19.452","0.0013","102.73","0.005","97.912","0.005","104.587","0.005","5293.5","0.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","CBSiNiBArF","","- C65 H67 B10 F24 N4 Ni O Si3 -","- C64.6667 H79.3333 B7.33333 F16 N4 Ni0.666667 O0.666667 Si2 -","- C194 H238 B22 F48 N12 Ni2 O2 Si6 -","3","1.5","","Shan, Changkai; Dai, Chenshu; Yao, Shenglai; Zhu, Jun; Driess, Matthias","Unprecedented bis(silylene)-supported silylone–metal complexes with Si0→ CuI, Si0→ NiI, and Si0→ NiII dative bonds","Chemical Communications","2025","61","49","8875","8878","10.1039/D5CC02098K","","","1.54184","CuKα","","0.1761","0.1095","","","0.2659","0.3384","","","","","","1.014","","","","has coordinates,has disorder","300503","2025-07-06","13:25:49",""
"7134552","17.213","0.005","7.777","0.002","25.463","0.007","90","","105.237","0.008","90","","3288.8","1.6","295","2","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H27 Br O4 -","- C35 H27 Br O4 -","- C140 H108 Br4 O16 -","4","1","","Barman, Jyotish; Pan, Subhas Chandra","Highly regio- and diastereoselective (3+3)-cycloannulation of carbonyl ylides and 2-(1-alkynyl)-2-alken-1-ones enabled by silver catalysis","Chemical Communications","2025","61","50","9119","9122","10.1039/D5CC02003D","","","0.71073","MoKα","","0.0602","0.0474","","","0.1232","0.131","","","","","","1.0244","","","","has coordinates","300470","2025-07-06","13:14:59",""
"7134553","17.442","0.013","7.489","0.005","12.142","0.01","90","","117.13","0.03","90","","1411.5","1.9","293","","293","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","","Roy, Sajal; Saha, Sharajit; Bhattacharyya, Hemanga; Punniyamurthy, Tharmalingam","Cascade C–H functionalization/annulation of 2-aryl-1,3-dicarbonyls with Morita–Baylis–Hillman adducts: access to α-iso-/benzochromenyl acrylates","Chemical Communications","2025","61","50","9095","9098","10.1039/D5CC01800E","","","0.71073","MoKα","","0.0543","0.0404","","","0.0806","0.0898","","","","","","1.0939","","","","has coordinates","300469","2025-07-06","13:14:25",""
"7134554","13.185","0.005","25.185","0.009","21.033","0.008","90","","98.321","0.004","90","","6911","4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H88 B4 N12 Ru4 -","- C64 H88 B4 N12 Ru4 -","- C256 H352 B16 N48 Ru16 -","4","1","","Koshino, Haruka; Goo, Zi Lang; Sugimoto, Kunihisa; Mochida, Tomoyuki","Solvent-free photochemical formation of cubane-type Ru complexes from organometallic ionic liquids with cyanoborate anions","Chemical Communications","2025","61","51","9258","9261","10.1039/D5CC01996F","","","0.71073","MoKα","","0.0473","0.0377","","","0.0952","0.1018","","","","","","1.072","","","","has coordinates,has disorder","300404","2025-07-06","12:48:05",""
"7134555","14.005","0.003","14.005","0.003","19.628","0.005","90","","90","","90","","3849.8","1.5","90","2","90","2","","","","","","","","5","I -4","I -4","82","","","","- C64 H88 B4 N12 Ru4 -","- C64 H88 B4 N12 Ru4 -","- C128 H176 B8 N24 Ru8 -","2","0.25","","Koshino, Haruka; Goo, Zi Lang; Sugimoto, Kunihisa; Mochida, Tomoyuki","Solvent-free photochemical formation of cubane-type Ru complexes from organometallic ionic liquids with cyanoborate anions","Chemical Communications","2025","61","51","9258","9261","10.1039/D5CC01996F","","","0.71073","MoKα","","0.0256","0.0227","","","0.0467","0.0477","","","","","","1.052","","","","has coordinates","300404","2025-07-06","12:48:05",""
"7134556","34.657","0.003","34.657","0.003","34.657","0.003","90","","90","","90","","41627","6","90","2","90","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C64 H88 B4 N12 Ru4 -","- C64 H88 B4 N12 Ru4 -","- C1536 H2112 B96 N288 Ru96 -","24","0.25","","Koshino, Haruka; Goo, Zi Lang; Sugimoto, Kunihisa; Mochida, Tomoyuki","Solvent-free photochemical formation of cubane-type Ru complexes from organometallic ionic liquids with cyanoborate anions","Chemical Communications","2025","61","51","9258","9261","10.1039/D5CC01996F","","","0.71073","MoKα","","0.0545","0.0415","","","0.1026","0.1176","","","","","","1.115","","","","has coordinates,has disorder","300404","2025-07-06","12:48:05",""
"7134557","20.5218","0.0015","10.6991","0.0007","10.4618","0.0008","90","","90.148","0.004","90","","2297","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C124 H116 N4 O8 -","4","1","","Dutta, Arnab; Dzieszkowski, Krzysztof; Kijewska, Monika; Siczek, Miłosz; Orzeł, Łukasz; Pawlicki, Miłosz","A switchable red-emitting fluorophore involving a 7.6.6 defect","Chemical Communications","2025","61","52","9424","9427","10.1039/D5CC01126D","","","0.71073","MoKα","","0.2417","0.1923","","","0.3271","0.3512","","","","","","1.19","","","","has coordinates,has disorder","300458","2025-07-06","13:10:56",""
"7134558","12.788","0.003","14.331","0.004","14.493","0.004","99.07","0.04","98.6","0.04","91.04","0.03","2591","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62.3 H56.6 Cl0.6 N2 O4 -","- C62.3 H56.6 Cl0.6 N2 O4 -","- C124.6 H113.2 Cl1.2 N4 O8 -","2","1","","Dutta, Arnab; Dzieszkowski, Krzysztof; Kijewska, Monika; Siczek, Miłosz; Orzeł, Łukasz; Pawlicki, Miłosz","A switchable red-emitting fluorophore involving a 7.6.6 defect","Chemical Communications","2025","61","52","9424","9427","10.1039/D5CC01126D","","x-ray","1.54184","CuKα","","0.0622","0.0532","","","0.1479","0.1548","","","","","","1.066","","","","has coordinates,has disorder","300458","2025-07-06","13:10:58",""
"7134559","8.6617","0.0004","14.1619","0.0005","19.4168","0.0011","90","","92.73","0.004","90","","2379.08","0.19","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","n/a","n/a","","- C24 H20 Br2 Ni P2 S -","- C24 H20 Br2 Ni P2 S -","- C96 H80 Br8 Ni4 P8 S4 -","4","1","","Flecken, Franziska; Grell, Toni; Hanf, Schirin","Short-bite PSP-type ligands: coordination chemistry and ligand rearrangement reactions","Chemical Communications","2025","61","51","9262","9265","10.1039/D5CC01739D","","","1.34143","GaKα","","0.0318","0.0276","","","0.0714","0.0732","","","","","","1.044","","","","has coordinates","300400","2025-07-06","12:45:57",""
"7134560","12.1053","0.0005","13.2856","0.0004","22.4508","0.0009","90","","96.619","0.003","90","","3586.6","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","n/a","n/a","","- C74 H64 Cl4 Ni3 P6 S4 -","- C74 H64 Cl4 Ni3 P6 S4 -","- C148 H128 Cl8 Ni6 P12 S8 -","2","0.5","","Flecken, Franziska; Grell, Toni; Hanf, Schirin","Short-bite PSP-type ligands: coordination chemistry and ligand rearrangement reactions","Chemical Communications","2025","61","51","9262","9265","10.1039/D5CC01739D","","","1.34143","GaKα","","0.0439","0.0319","","","0.072","0.0768","","","","","","1.026","","","","has coordinates","300400","2025-07-06","12:45:58",""
"7134561","11.983","0.01","7.826","0.004","14.014","0.012","90","","108.88","0.04","90","","1243.5","1.6","150","2","150","2","","","","","","","","6","I 1 2 1","I 2y","5","n/a","n/a","","- C24 H20 I2 Ni P2 S -","- C24 H20 I2 Ni P2 S -","- C48 H40 I4 Ni2 P4 S2 -","2","0.5","","Flecken, Franziska; Grell, Toni; Hanf, Schirin","Short-bite PSP-type ligands: coordination chemistry and ligand rearrangement reactions","Chemical Communications","2025","61","51","9262","9265","10.1039/D5CC01739D","","","1.34143","GaKα","","0.0387","0.0387","","","0.1099","0.1099","","","","","","1.066","","","","has coordinates","300400","2025-07-06","12:45:58",""
"7134562","13.784","0.0004","16.4338","0.0005","21.9103","0.0007","93.043","0.002","96.228","0.002","110.795","0.002","4590","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","n/a","n/a","","- C48 H40 Ni2 P4 S5 -","- C48 H40 Ni2 P4 S5 -","- C192 H160 Ni8 P16 S20 -","4","2","","Flecken, Franziska; Grell, Toni; Hanf, Schirin","Short-bite PSP-type ligands: coordination chemistry and ligand rearrangement reactions","Chemical Communications","2025","61","51","9262","9265","10.1039/D5CC01739D","","","1.34143","GaKα","","0.0797","0.0374","","","0.0728","0.0815","","","","","","0.89","","","","has coordinates","300400","2025-07-06","12:45:58",""
"7134563","8.5103","0.0007","11.3848","0.0009","13.169","0.0011","67.846","0.003","83.629","0.003","75.229","0.003","1142.51","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","N-(2-phenyl-2-(thiazol-2-yl)ethyl)-N-(phenylsulfonyl)benzenesulfonamide","","- C23 H20 N2 O4 S3 -","- C23 H20 N2 O4 S3 -","- C46 H40 N4 O8 S6 -","2","1","","Yuan, Qingbing; Wu, Caiqiong; Bao, Yonghu; Huang, Zengming; Wang, Hua; Wei, Yun; Wang, Shaowu","Copper-catalyzed three-component radical aminoazolation of vinylarenes with N-fluorobenzenesulfonimide and trimethylsilylazole derivatives","Chemical Communications","2025","61","51","9238","9241","10.1039/D5CC01080B","","x-ray","0.71073","MoKα","","0.1168","0.0817","","","0.223","0.2454","","","","","","1.073","","","","has coordinates,has disorder","300409","2025-07-06","12:50:09",""
"7134564","11.7519","0.0008","17.4233","0.001","8.7618","0.0006","90","","106.248","0.007","90","","1722.4","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 N O4 S -","- C16 H25 N O4 S -","- C64 H100 N4 O16 S4 -","4","1","","Zhou, Zhi-Hua; Wang, Ben; Tan, Jie; Chen, Wei-Yi; Tian, Jie-Sheng","Oxidative N-functionalization of primary sulfonamides with aliphatic aldehydes: a green synthesis of α-sulfonamido acetals","Chemical Communications","2025","61","51","9226","9229","10.1039/D5CC02379C","","","0.71073","MoKα","","0.0703","0.0524","","","0.1194","0.1294","","","","","","1.05","","","","has coordinates","300405","2025-07-06","12:48:15",""
"7134565","26.6365","0.0012","17.0732","0.0014","17.8293","0.0009","90","","108.18","0.005","90","","7703.5","0.8","100","0.1","100.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C131 H53 N4 Ni S2 Ti3 -","- C121 H44 N4 Ni Ti3.001 -","- C484 H176 N16 Ni4 Ti12.004 -","4","0.5","","He, Zhiwen; Cao, Zhengkai; Yao, Yang-Rong; Chen, Ning","Ti3C3@C2v(9)-C82: a double-butterfly tri-metal carbide cluster inside a fullerene cage","Chemical Communications","2025","61","52","9432","9435","10.1039/D5CC02276B","","","1.54184","CuKα","","0.2019","0.1394","","","0.2975","0.3357","","","","","","1.072","","","","has coordinates,has disorder","300451","2025-07-06","13:08:45",""
"7134566","19.4774","0.0003","19.8681","0.0003","5.66262","0.00013","90","","90","","90","","2191.31","0.07","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H18 Br N O4 S -","- C24 H18 Br N O4 S -","- C96 H72 Br4 N4 O16 S4 -","4","1","","Jia, Xiaoni; Kan, Yuanmeng; Li, Wenguang; Kong, Weiguang; Gao, Wenchao; Chen, Ming; Ye, Long-Wu; Li, Ting","Gold-catalyzed ligand-controlled annulation for the construction of indoles and furoindoles","Chemical Communications","2025","61","51","9294","9297","10.1039/D5CC02328A","","x-ray","1.54184","CuKα","","0.0479","0.0433","","","0.1146","0.1203","","","","","","1.051","","","","has coordinates","300403","2025-07-06","12:47:18",""
"7134567","8.5808","0.0007","9.8636","0.0006","12.7357","0.0006","69.355","0.005","80.379","0.005","85.929","0.006","994.43","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 N O4 S -","- C24 H19 N O4 S -","- C48 H38 N2 O8 S2 -","2","1","","Jia, Xiaoni; Kan, Yuanmeng; Li, Wenguang; Kong, Weiguang; Gao, Wenchao; Chen, Ming; Ye, Long-Wu; Li, Ting","Gold-catalyzed ligand-controlled annulation for the construction of indoles and furoindoles","Chemical Communications","2025","61","51","9294","9297","10.1039/D5CC02328A","","x-ray","1.54184","CuKα","","0.0823","0.0565","","","0.1436","0.167","","","","","","1.015","","","","has coordinates,has disorder","300403","2025-07-06","12:47:27",""
"7134568","26.9722","0.0013","26.9722","0.0013","22.8711","0.0014","90","","90","","90","","16638.7","1.5","150","2","150","2","","","","","","","","8","I 4","I 4","79","","","","- C254 H351 Cl5 Fe20 N12 O65 S20 V8 -","- C228 H288 Cl5 Fe20 N4 O56 S20 V8 -","- C456 H576 Cl10 Fe40 N8 O112 S40 V16 -","2","0.25","","Li, Qiqi; Zou, Yuhan; Mao, Dongao; Tian, Hongrui; Hang, Xinxin; Bi, Yanfeng","Thiacalixarene-supported M20V8 (M = Fe, Co, Ni) square pyramid nanocages for visible light photothermal catalysis","Chemical Communications","2025","61","51","9266","9269","10.1039/D5CC02007G","","","0.71073","MoKα","","0.0496","0.0459","","","0.1372","0.1415","","","","","","1.023","","","","has coordinates,has disorder","300402","2025-07-06","12:47:06",""
"7134569","26.771","0.002","26.771","0.002","23.0428","0.0019","90","","90","","90","","16514","2","150","2","150","2","","","","","","","","8","I 4","I 4","79","","","","- C262 H375 Cl5 N12 Ni20 O69 S20 V8 -","- C254 H350 Cl5 N12 Ni20 O65 S20 V8 -","- C508 H700 Cl10 N24 Ni40 O130 S40 V16 -","2","0.25","","Li, Qiqi; Zou, Yuhan; Mao, Dongao; Tian, Hongrui; Hang, Xinxin; Bi, Yanfeng","Thiacalixarene-supported M20V8 (M = Fe, Co, Ni) square pyramid nanocages for visible light photothermal catalysis","Chemical Communications","2025","61","51","9266","9269","10.1039/D5CC02007G","","","0.71073","MoKα","","0.0409","0.038","","","0.1049","0.1075","","","","","","1.014","","","","has coordinates,has disorder","300402","2025-07-06","12:47:06",""
"7134570","26.857","0.003","26.857","0.003","23.006","0.003","90","","90","","90","","16594","3","150","2","150","2","","","","","","","","8","I 4","I 4","79","","","","- C260 H369 Cl5 Co20 N12 O68 S20 V8 -","- C254 H350 Cl5 Co20 N12 O65 S20 V8 -","- C508 H700 Cl10 Co40 N24 O130 S40 V16 -","2","0.25","","Li, Qiqi; Zou, Yuhan; Mao, Dongao; Tian, Hongrui; Hang, Xinxin; Bi, Yanfeng","Thiacalixarene-supported M20V8 (M = Fe, Co, Ni) square pyramid nanocages for visible light photothermal catalysis","Chemical Communications","2025","61","51","9266","9269","10.1039/D5CC02007G","","","0.71073","MoKα","","0.0578","0.045","","","0.1132","0.1205","","","","","","1.027","","","","has coordinates,has disorder","300402","2025-07-06","12:47:06",""
"7134571","7.9888","0.0003","9.7763","0.0004","26.1295","0.001","90","","90","","90","","2040.74","0.14","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","Smith, Lydia G.; Di Leva, Dalila; Shaw, Lloyd A.; Hughes, Eric; Kenwright, Alan M.; Beeby, Andrew; Wilson, Mark R.; Mahon, Clare S.","An unexpected chlorination of an organic sunscreen","Chemical Communications","2025","61","51","9314","9317","10.1039/D5CC01593F","","","0.71073","MoKα","","0.0482","0.044","","","0.1029","0.1054","","","","","","1.0409","","","","has coordinates","300406","2025-07-06","12:49:06",""
"7134572","15.8699","0.0007","7.9825","0.0003","33.9739","0.0018","90","","96.083","0.002","90","","4279.6","0.3","120","","120","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H30.788 Cl0.212 N O4 -","- C24 H30.788 Cl0.212 N O4 -","- C192 H246.304 Cl1.696 N8 O32 -","8","1","","Smith, Lydia G.; Di Leva, Dalila; Shaw, Lloyd A.; Hughes, Eric; Kenwright, Alan M.; Beeby, Andrew; Wilson, Mark R.; Mahon, Clare S.","An unexpected chlorination of an organic sunscreen","Chemical Communications","2025","61","51","9314","9317","10.1039/D5CC01593F","","x-ray","0.71073","MoKα","","0.1182","0.0849","","","0.2011","0.2253","","","","","","1.0635","","","","has coordinates,has disorder","300406","2025-07-06","12:49:07",""
"7134573","7.7392","0.0009","13.4287","0.0015","15.1509","0.0017","90","","90","","90","","1574.6","0.3","301","2","301","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F O3 P S -","- C17 H14 F O3 P S -","- C68 H56 F4 O12 P4 S4 -","4","1","","Paul, Tripti; Basak, Shubhajit; Nanjegowda, Maniya V.; Punniyamurthy, Tharmalingam","Cascade heteroarylation/annulation of arylphosphonic acid monoesters with benzothiophenes: access to benzothieno-fused oxaphosphacycles","Chemical Communications","2025","61","52","9480","9483","10.1039/D5CC02209F","","","0.71073","MoKα","","0.0348","0.0306","","","0.074","0.079","","","","","","1.073","","","","has coordinates","300455","2025-07-06","13:09:50",""
"7134574","6.109","0.003","16.627","0.007","8.964","0.004","90","","92.301","0.014","90","","909.8","0.7","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Uranyl oxalate","","","- C5 H6 N O8 U -","- C5 H6 N O8 U -","- C20 H24 N4 O32 U4 -","4","1","","Gu, Qinyan; Lei, Ji; Deng, Wenjie; Zhang, Heyao; Zhang, Zhi-Hui; Lu, Huangjie; Hu, Baowei; Xie, Jian","A uranyl-based luminescent dosimeter for ultralow-dose tracking of UV and X-ray radiation","Chemical Communications","2025","61","51","9322","9325","10.1039/D5CC02216A","","","0.71073","MoKα","","0.0457","0.0289","","","0.0603","0.0654","","","","","","1.0222","","","","has coordinates","300401","2025-07-06","12:46:28",""
"7134575","6.1","0.0006","16.6677","0.0017","8.9638","0.0009","90","","92.771","0.003","90","","910.31","0.16","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Uranyl oxalate","U-OX-PIP","","- C5 H5 N O8 U -","- C5 H5 N O8 U -","- C20 H20 N4 O32 U4 -","4","1","","Gu, Qinyan; Lei, Ji; Deng, Wenjie; Zhang, Heyao; Zhang, Zhi-Hui; Lu, Huangjie; Hu, Baowei; Xie, Jian","A uranyl-based luminescent dosimeter for ultralow-dose tracking of UV and X-ray radiation","Chemical Communications","2025","61","51","9322","9325","10.1039/D5CC02216A","","","0.71073","MoKα","","0.0405","0.0298","","","0.0636","0.0669","","","","","","1.0536","","","","has coordinates","300401","2025-07-06","12:46:31",""
"7134576","6.906","0.0003","12.145","0.0006","15.993","0.0008","90","","90","","90","","1341.39","0.11","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C5 H7 N7 -","- C5 H7 N7 -","- C40 H56 N56 -","8","1","","Nehe, Sagar; Yadav, Abhishek Kumar; Ghule, Vikas D.; Dharavath, Srinivas","Trinitromethyl- and nitramino-substituted triazolo-pyridazines: synthesis and energetic performance","Chemical Communications","2025","61","50","9047","9050","10.1039/D5CC02368H","","","0.71073","MoKα","","0.0485","0.0455","","","0.1134","0.1154","","","","","","1.096","","","","has coordinates","300467","2025-07-06","13:13:53",""
"7134577","9.172","0.0008","9.4996","0.0009","13.2063","0.0012","104.376","0.003","97.79","0.002","102.786","0.002","1064.67","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H2 Cl N7 O6 -","- C6 H2 Cl N7 O6 -","- C24 H8 Cl4 N28 O24 -","4","2","","Nehe, Sagar; Yadav, Abhishek Kumar; Ghule, Vikas D.; Dharavath, Srinivas","Trinitromethyl- and nitramino-substituted triazolo-pyridazines: synthesis and energetic performance","Chemical Communications","2025","61","50","9047","9050","10.1039/D5CC02368H","","","0.71073","MoKα","","0.0467","0.0368","","","0.0761","0.0821","","","","","","1.045","","","","has coordinates,has disorder","300467","2025-07-06","13:13:54",""
"7134578","24.004","0.0006","7.0053","0.0001","31.8407","0.0007","90","","90","","90","","5354.18","0.19","103.15","","103.15","","","","","","","","","5","P n a 21","P 2c -2n","33","compound 2","bridged rhodol","","- C26 H21 Cl6 N O4 -","- C26 H21 Cl6 N O4 -","- C208 H168 Cl48 N8 O32 -","8","2","","Tanioka, Masaru; Kitamura, Fumino; Oyama, Masaya; Chen, Shiyu; Ohishi, Yuki; Yamada, Tsuyoshi; Matsuya, Yuji","Design strategy for tautomerization-based small panchromatic molecules","Chemical Communications","2025","61","51","9298","9301","10.1039/D5CC01507C","","","1.54184","CuKα","","0.0916","0.0863","","","0.2323","0.2397","","","","","","1.076","","","","has coordinates,has disorder","300408","2025-07-06","12:49:57",""
"7134579","10.3718","0.0001","56.7017","0.0007","16.5454","0.0002","90","","105.472","0.001","90","","9377.71","0.19","103.15","","103.15","","","","","","","","","5","P 1 c 1","P -2yc","7","compound 1","bridged rhodamine","","- C32 H30 F6 N2 O7 -","- C32 H30 F6 N2 O7 -","- C384 H360 F72 N24 O84 -","12","6","","Tanioka, Masaru; Kitamura, Fumino; Oyama, Masaya; Chen, Shiyu; Ohishi, Yuki; Yamada, Tsuyoshi; Matsuya, Yuji","Design strategy for tautomerization-based small panchromatic molecules","Chemical Communications","2025","61","51","9298","9301","10.1039/D5CC01507C","","","1.54184","CuKα","","0.0745","0.0706","","","0.2003","0.2057","","","","","","1.039","","","","has coordinates,has disorder","300408","2025-07-06","12:49:59",""
"7134580","8.9149","0.0003","12.5272","0.0003","15.9069","0.0005","104.806","0.003","90.682","0.003","96.21","0.003","1705.95","0.09","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 Cl2 O P -","- C44 H31 Cl2 O P -","- C88 H62 Cl4 O2 P2 -","2","1","","Higashino, Tomohiro; Minobe, Riku; Machino, Tomoya; Imahori, Hiroshi","Unexpected cyclization of β-(hydroxymethyl)phosphole into 1-phospha-1,6a-dihydrophosphapentalene: a fused 1,3-butadiene-based luminophore","Chemical Communications","2025","61","52","9420","9423","10.1039/D5CC02428E","","","0.71073","MoKα","","0.0887","0.073","","","0.1863","0.2012","","","","","","1.037","","","","has coordinates","300457","2025-07-06","13:10:41",""
"7134581","8.798","0.002","15.004","0.004","19.105","0.005","90","","94.067","0.004","90","","2515.6","1.1","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H25 O P -","- C35 H25 O P -","- C140 H100 O4 P4 -","4","1","","Higashino, Tomohiro; Minobe, Riku; Machino, Tomoya; Imahori, Hiroshi","Unexpected cyclization of β-(hydroxymethyl)phosphole into 1-phospha-1,6a-dihydrophosphapentalene: a fused 1,3-butadiene-based luminophore","Chemical Communications","2025","61","52","9420","9423","10.1039/D5CC02428E","","","0.71075","MoKα","","0.0462","0.0389","","","0.0893","0.0936","","","","","","1.066","","","","has coordinates","300457","2025-07-06","13:10:41",""
"7134582","9.9397","0.0004","18.8675","0.0006","15.917","0.0007","90","","94.485","0.004","90","","2975.9","0.2","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 O P -","- C43 H29 O P -","- C172 H116 O4 P4 -","4","1","","Higashino, Tomohiro; Minobe, Riku; Machino, Tomoya; Imahori, Hiroshi","Unexpected cyclization of β-(hydroxymethyl)phosphole into 1-phospha-1,6a-dihydrophosphapentalene: a fused 1,3-butadiene-based luminophore","Chemical Communications","2025","61","52","9420","9423","10.1039/D5CC02428E","","","0.71073","MoKα","","0.0765","0.0567","","","0.1323","0.1451","","","","","","1.03","","","","has coordinates","300457","2025-07-06","13:10:41",""
"7134583","12.0377","0.0001","12.2718","0.0001","14.9623","0.0001","90.125","0.001","107.078","0.001","100.987","0.001","2070.12","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H60 K Li N4 O P2 -","- C40 H60 K Li N4 O P2 -","- C80 H120 K2 Li2 N8 O2 P4 -","2","1","","Crabbe, Michelle H.; O’Meara, Danielle; Kennedy, Alan R.; Weetman, Catherine E.; Mulvey, Robert E.","[(TMEDA)Li(μ-PPh2)2K(TMEDA)(THF)]: a heterobimetallic molecular lithium–potassium phosphide complex","Chemical Communications","2025","61","52","9436","9439","10.1039/D5CC02154E","","x-ray","1.54184","CuKα","","0.04","0.0391","","","0.1085","0.1093","","","","","","1.03","","","","has coordinates,has disorder","300452","2025-07-06","13:09:03",""
"7134584","9.679","0.005","36.891","0.006","54.555","0.013","90","","90","","90","","19480","12","120","","120","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C49 H51.88 Br0.56 Cd N9 O12.44 -","- C36 H20.88 Br0.56 Cd N6 O8.44 -","- C576 H334.08 Br8.96 Cd16 N96 O135.04 -","16","0.5","","Tanabe, Tappei; Qu, Liyuan; Ueno, Kenta; Takaishi, Shinya; Yamashita, Masahiro; Hijikata, Yuh; Matsuda, Ryotaro; Sakamoto, Ryota; Iguchi, Hiroaki","Uncommon quadruple stacking topology in a honeycomb-sheet MOF compatible with through-space conduction","Chemical Communications","2025","61","52","9500","9503","10.1039/D5CC00084J","","x-ray","0.9","synchrotron","","0.1178","0.1112","","","0.3577","0.3635","","","","","","1.595","","","","has coordinates,has disorder","300453","2025-07-06","13:09:18",""
"7134585","6.22346","0.00018","22.0539","0.0008","13.8854","0.0004","90","","101.653","0.003","90","","1866.51","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","SKX-JSL-3aa","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","2","","Sui, Kaixia; Jiang, Shiliang; Leng, Yuting; Wu, Yusheng; Wu, Yangjie","Photoredox catalyzed three-component tandem cyclization of 1,5-dienes with α-keto acids and water to access pyrrolidinones","Chemical Communications","2025","61","52","9456","9459","10.1039/D5CC01171J","","x-ray","1.54184","CuKα","","0.0546","0.048","","","0.1221","0.1298","","","","","","1.02","","","","has coordinates","300454","2025-07-06","13:09:38",""
"7134586","10.7418","0.0002","13.3809","0.0002","15.7147","0.0002","103.603","0.001","109.915","0.002","91.657","0.002","2049.36","0.06","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 F6 Ir N3 O P2 -","- C44 H42 F6 Ir N3 O P2 -","- C88 H84 F12 Ir2 N6 O2 P4 -","2","1","","Fayafrou, Oussama; Zanzi, Juliette; Duhayon, Carine; Sortais, Jean-Baptiste; Baslé, Olivier; Canac, Yves","Cyclometallated phosphonium ylide-based iridium(iii) photocatalysts","Chemical Communications","2025","61","54","9932","9935","10.1039/D5CC02320C","","","1.54184","CuKα","","0.0333","0.0322","","0.0853","0.0837","0.0853","","","","","","1.0104","","","","has coordinates","300519","2025-07-06","13:32:20",""
"7134587","13.2187","0.0002","15.435","0.0002","20.4572","0.0003","90","","108.506","0.002","90","","3958.07","0.11","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H26 F16 Ir N3 P2 -","- C42 H26 F16 Ir N3 P2 -","- C168 H104 F64 Ir4 N12 P8 -","4","1","","Fayafrou, Oussama; Zanzi, Juliette; Duhayon, Carine; Sortais, Jean-Baptiste; Baslé, Olivier; Canac, Yves","Cyclometallated phosphonium ylide-based iridium(iii) photocatalysts","Chemical Communications","2025","61","54","9932","9935","10.1039/D5CC02320C","","","1.54184","CuKα","","0.0303","0.0285","","0.0735","0.0724","0.0735","","","","","","0.9924","","","","has coordinates","300519","2025-07-06","13:32:21",""
"7134588","5.1889","0.0001","17.9266","0.0005","21.5874","0.0006","90","","90","","90","","2008.05","0.09","170","0.1","170","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N O2 S -","- C25 H21 N O2 S -","- C100 H84 N4 O8 S4 -","4","1","","Huang, Xiang; Yang, Jin-Ming","Lewis acid-catalyzed intramolecular cyclization of 7-alkynylcycloheptatrienes with carbonyls: access to 3,4-disubstituted 2,5-dihydropyrroles","Chemical Communications","2025","61","53","9686","9689","10.1039/D5CC01837D","","x-ray","1.54184","CuKα","","0.0508","0.0457","","","0.1135","0.1194","","","","","","1.04","","","","has coordinates","300426","2025-07-06","12:57:28",""
"7134589","13.6274","0.0004","13.9439","0.0004","22.4596","0.0007","90","","99.933","0.001","90","","4203.8","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C200 H184 N8 O24 S8 -","8","2","","Huang, Xiang; Yang, Jin-Ming","Lewis acid-catalyzed intramolecular cyclization of 7-alkynylcycloheptatrienes with carbonyls: access to 3,4-disubstituted 2,5-dihydropyrroles","Chemical Communications","2025","61","53","9686","9689","10.1039/D5CC01837D","","","1.54178","CuKα","","0.0556","0.0506","","","0.1311","0.1334","","","","","","1.171","","","","has coordinates","300426","2025-07-06","12:57:28",""
"7134590","18.7459","0.0004","13.1934","0.0003","17.3101","0.0004","90","","93.237","0.002","90","","4274.34","0.17","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0418","0.0375","","","0.1158","0.1194","","","","","","1.068","","","","has coordinates,has disorder","300427","2025-07-06","12:58:45",""
"7134591","18.7418","0.0003","13.2211","0.0003","17.2876","0.0004","90","","93.051","0.002","90","","4277.57","0.15","180","0.19","180","0.19","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0426","0.0373","","","0.113","0.1175","","","","","","1.057","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134592","18.7443","0.0004","13.2668","0.0003","17.2602","0.0004","90","","92.809","0.002","90","","4287.06","0.17","220","0.15","220","0.15","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0433","0.0365","","","0.112","0.1175","","","","","","1.069","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134593","18.7466","0.0004","13.2327","0.0003","17.2816","0.0004","90","","92.997","0.002","90","","4281.15","0.17","190.03","0.13","190.03","0.13","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.043","0.0374","","","0.1143","0.1193","","","","","","1.072","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134594","18.7437","0.0004","13.2961","0.0004","17.2393","0.0004","90","","92.596","0.002","90","","4291.94","0.19","250.01","0.1","250.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.043","0.0353","","","0.1066","0.1133","","","","","","1.07","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134595","18.7412","0.0004","13.2846","0.0004","17.2461","0.0004","90","","92.697","0.002","90","","4288.99","0.19","240.01","0.1","240.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0426","0.036","","","0.1098","0.1151","","","","","","1.078","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134596","18.7459","0.0005","13.308","0.0005","17.2328","0.0005","90","","92.512","0.003","90","","4294.9","0.2","260.03","0.1","260.03","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0471","0.0387","","","0.1182","0.1257","","","","","","1.087","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134597","18.7558","0.0004","13.323","0.0004","17.2355","0.0005","90","","92.421","0.002","90","","4303","0.2","270.01","0.1","270.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0487","0.0398","","","0.1191","0.128","","","","","","1.072","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134598","18.758","0.0004","13.3886","0.0004","17.1946","0.0005","90","","91.757","0.002","90","","4316.3","0.2","320.01","0.1","320.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0432","0.0338","","","0.1029","0.111","","","","","","1.051","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134599","18.7584","0.0004","13.3728","0.0004","17.1991","0.0004","90","","91.925","0.002","90","","4312","0.19","310","0.1","310","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0434","0.0342","","","0.1025","0.1103","","","","","","1.043","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134600","18.7462","0.0004","13.2001","0.0003","17.3014","0.0004","90","","93.184","0.002","90","","4274.65","0.17","160.03","0.1","160.03","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0415","0.0367","","","0.113","0.1171","","","","","","1.079","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134601","18.7603","0.0004","13.4307","0.0004","17.1661","0.0004","90","","91.022","0.002","90","","4324.55","0.19","350","0.1","350","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0516","0.0387","","","0.1143","0.1254","","","","","","1.061","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134602","18.7454","0.0004","13.2104","0.0003","17.2938","0.0004","90","","93.134","0.002","90","","4276.13","0.17","170.01","0.19","170.01","0.19","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0422","0.0369","","","0.1129","0.1173","","","","","","1.073","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134603","18.745","0.0004","13.2533","0.0004","17.2693","0.0004","90","","92.876","0.002","90","","4284.86","0.19","210","0.19","210","0.19","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0429","0.0363","","","0.1097","0.1153","","","","","","1.067","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134604","18.741","0.0004","13.2729","0.0004","17.2493","0.0004","90","","92.731","0.002","90","","4285.85","0.19","230.02","0.11","230.02","0.11","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0427","0.0359","","","0.1072","0.1128","","","","","","1.059","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134605","18.7457","0.0004","13.2436","0.0003","17.2756","0.0004","90","","92.917","0.002","90","","4283.29","0.17","200","0.14","200","0.14","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0424","0.0365","","","0.1101","0.1151","","","","","","1.074","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134606","18.7559","0.0004","13.3309","0.0004","17.2217","0.0004","90","","92.314","0.002","90","","4302.48","0.19","280.01","0.1","280.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.041","0.0335","","","0.0991","0.1054","","","","","","1.035","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134607","14.5733","0.0002","11.9319","0.0002","7.2118","0.0001","90","","90","","90","","1254.04","0.03","150","0.1","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H15 B10 N -","- C7 H15 B10 N -","- C28 H60 B40 N4 -","4","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0389","0.0372","","","0.0988","0.1","","","","","","1.038","","","","has coordinates","300427","2025-07-06","12:58:46",""
"7134608","18.7566","0.0004","13.3398","0.0004","17.211","0.0004","90","","92.214","0.002","90","","4303.14","0.19","290.01","0.1","290.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0416","0.0334","","","0.1003","0.1068","","","","","","1.059","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134609","18.7581","0.0004","13.3559","0.0004","17.208","0.0004","90","","92.085","0.002","90","","4308.29","0.19","300.02","0.1","300.02","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0428","0.0338","","","0.1012","0.1084","","","","","","1.053","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134610","15.7644","0.0003","10.3772","0.0002","9.8017","0.0002","90","","96.299","0.002","90","","1593.78","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 B10 N2 -","- C12 H18 B10 N2 -","- C48 H72 B40 N8 -","4","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0364","0.0353","","","0.0931","0.0941","","","","","","1.075","","","","has coordinates","300427","2025-07-06","12:58:46",""
"7134611","7.9697","0.0001","10.5301","0.0002","9.6227","0.0001","90","","106.128","0.001","90","","775.77","0.02","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 B10 N2 -","- C12 H18 B10 N2 -","- C24 H36 B20 N4 -","2","0.5","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0372","0.0358","","","0.0999","0.1014","","","","","","1.055","","","","has coordinates","300427","2025-07-06","12:58:46",""
"7134612","18.7575","0.0004","13.4154","0.0004","17.1735","0.0004","90","","91.283","0.002","90","","4320.45","0.19","340","0.1","340","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0475","0.0368","","","0.1096","0.1182","","","","","","1.051","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134613","18.7567","0.0004","13.4002","0.0004","17.1866","0.0004","90","","91.538","0.002","90","","4318.18","0.19","330","0.1","330","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 B5 N2 O5 Zn -","- C17 H20 B5 N2 O5 Zn -","- C136 H160 B40 N16 O40 Zn8 -","8","1","","Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.","A new carborane scaffold for assembling metal–organic frameworks","Chemical Communications","2025","61","53","9634","9637","10.1039/D5CC02620B","","x-ray","1.54184","CuKα","","0.0447","0.0354","","","0.1051","0.1128","","","","","","1.038","","","","has coordinates,has disorder","300427","2025-07-06","12:58:46",""
"7134614","11.3591","0.0005","6.3615","0.0002","14.7799","0.0006","90","","103.823","0.004","90","","1037.08","0.07","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Br N -","- C10 H18 Br N -","- C40 H72 Br4 N4 -","4","1","","Xu, Wei-Jian; Alikin, Denis; Fang, Zi-Luo; Romanyuk, Konstantin; Verissimo, Luis; Zelenovskii, Pavel; Zhang, Wei-Xiong; Kholkin, Andrei; Rocha, João","Unlocking ferroelectricity in a metal-free adamantane derivative via targeted symmetry reduction","Chemical Communications","2025","61","51","9286","9289","10.1039/D5CC01790D","","","0.71073","MoKα","","0.1036","0.0579","","","0.082","0.0936","","","","","","1.075","","","","has coordinates","300407","2025-07-06","12:49:26",""
"7134615","7.7656","0.0003","6.4026","0.0002","10.1581","0.0004","90","","102.526","0.004","90","","493.04","0.03","298.15","","298.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H18 Br N -","- C10 H18 Br N -","- C20 H36 Br2 N2 -","2","1","","Xu, Wei-Jian; Alikin, Denis; Fang, Zi-Luo; Romanyuk, Konstantin; Verissimo, Luis; Zelenovskii, Pavel; Zhang, Wei-Xiong; Kholkin, Andrei; Rocha, João","Unlocking ferroelectricity in a metal-free adamantane derivative via targeted symmetry reduction","Chemical Communications","2025","61","51","9286","9289","10.1039/D5CC01790D","","","0.71073","MoKα","","0.0438","0.0346","","","0.0689","0.0712","","","","","","1.054","","","","has coordinates","300407","2025-07-06","12:49:34",""
"7134616","7.8338","0.0004","6.447","0.0004","10.1896","0.0006","90","","102.173","0.006","90","","503.05","0.05","393","","393","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C10 H18 Br N -","- C10 H18 Br N -","- C20 H36 Br2 N2 -","2","0.5","","Xu, Wei-Jian; Alikin, Denis; Fang, Zi-Luo; Romanyuk, Konstantin; Verissimo, Luis; Zelenovskii, Pavel; Zhang, Wei-Xiong; Kholkin, Andrei; Rocha, João","Unlocking ferroelectricity in a metal-free adamantane derivative via targeted symmetry reduction","Chemical Communications","2025","61","51","9286","9289","10.1039/D5CC01790D","","","0.71073","MoKα","","0.0716","0.0439","","","0.0967","0.1049","","","","","","1.068","","","","has coordinates,has disorder","300407","2025-07-06","12:49:37",""
"7134617","34.526","0.006","6.0518","0.0011","34.924","0.007","90","","91.885","0.005","90","","7293","2","277","","277","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","TPNTZ","4-(3-(4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)bicyclo[2.2.1]hepta-2,5-dien-2-yl)-N,N-diphenylaniline","","- C46 H35 N4 -","- C46 H34 N4 -","- C368 H272 N32 -","8","1","","Upadhyay, Manoj; Deka, Raktim; Ray, Debdas","Charge transfer alteration and white light emission in photochromic triphenylamine-norbornadiene-triazine switch","Chemical Communications","2025","61","53","9674","9677","10.1039/D5CC01970B","","","0.71073","MoKα","","0.1752","0.0888","","","0.2543","0.3663","","","","","","0.943","","","","has coordinates","300429","2025-07-06","12:59:29",""
"7134618","7.8306","0.0001","30.1726","0.0003","30.2525","0.0003","90","","90","","90","","7147.74","0.14","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1a","5,5'-Bis(4-tert-butylphenyl)-3,3'-bi[thiophen-3(2H)-ylidene]-2,2'-dione","","- C28 H28 O2 S2 -","- C28 H28 O2 S2 -","- C336 H336 O24 S24 -","12","1.5","","Shiokawa, Takumi; Fukazawa, Aiko","Rethinking aromaticity of reduced thienoquinoids: insights from an S-Pechmann dye dianion","Chemical Communications","2025","61","55","10095","10098","10.1039/D5CC02327K","","x-ray","0.414","synchrotron","","0.0366","0.0332","","","0.1024","0.1062","","","","","","1.035","","","","has coordinates,has disorder","300395","2025-07-06","12:41:20",""
"7134619","13.285","0.0008","6.0285","0.0002","15.0211","0.0006","90","","105.958","0.005","90","","1156.66","0.1","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4","5,5'-Bis(4-tert-butylphenyl)-3,3'-bithiophene","","- C28 H30 S2 -","- C28 H30 S2 -","- C56 H60 S4 -","2","0.5","","Shiokawa, Takumi; Fukazawa, Aiko","Rethinking aromaticity of reduced thienoquinoids: insights from an S-Pechmann dye dianion","Chemical Communications","2025","61","55","10095","10098","10.1039/D5CC02327K","","x-ray","0.413","synchrotron","","0.0441","0.0394","","","0.105","0.11","","","","","","1.056","","","","has coordinates","300395","2025-07-06","12:41:21",""
"7134620","11.408","0.0006","12.0912","0.0008","14.9019","0.0008","73.723","0.005","69.097","0.005","70.197","0.006","1776.7","0.2","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H108 K2 N4 O15 S2 -","- C68 H108 K2 N4 O15 S2 -","- C68 H108 K2 N4 O15 S2 -","1","0.5","","Shiokawa, Takumi; Fukazawa, Aiko","Rethinking aromaticity of reduced thienoquinoids: insights from an S-Pechmann dye dianion","Chemical Communications","2025","61","55","10095","10098","10.1039/D5CC02327K","","x-ray","0.414","synchrotron","","0.054","0.0413","","","0.0961","0.1014","","","","","","1.025","","","","has coordinates,has disorder","300395","2025-07-06","12:41:21",""
"7134621","29.934","0.0008","15.0767","0.0005","8.7946","0.0002","90","","90","","90","","3969.06","0.19","150","0.1","150","0.1","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C50 H34 Cl4 N4 -","- C48 H30 N4 -","- C192 H120 N16 -","4","0.5","","Chen, Jin-Fa; Wang, Yuxuan; Shi, Bingbing; Yao, Hong; Wei, Tai-Bao; Lin, Qi","A V-shaped small molecule-based crystalline nonporous supramolecular organic framework for capturing benzene-based contaminants","Chemical Communications","2025","61","54","9912","9915","10.1039/D5CC01950H","","x-ray","1.54184","CuKα","","0.0894","0.0829","","","0.2293","0.2368","","","","","","1.099","","","","has coordinates","300523","2025-07-06","13:33:31",""
"7134622","29.6967","0.0006","15.1954","0.0003","8.9495","0.0002","90","","90","","90","","4038.49","0.15","150","0.1","150","0.1","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C56 H40 N4 -","- C56 H40 N4 -","- C224 H160 N16 -","4","0.5","","Chen, Jin-Fa; Wang, Yuxuan; Shi, Bingbing; Yao, Hong; Wei, Tai-Bao; Lin, Qi","A V-shaped small molecule-based crystalline nonporous supramolecular organic framework for capturing benzene-based contaminants","Chemical Communications","2025","61","54","9912","9915","10.1039/D5CC01950H","","x-ray","1.54184","CuKα","","0.0383","0.0342","","","0.0854","0.0885","","","","","","1.064","","","","has coordinates,has disorder","300523","2025-07-06","13:33:32",""
"7134623","15.903","0.0002","28.781","0.0004","8.8898","0.0001","90","","90","","90","","4068.9","0.09","150","0.1","150","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C56 H40 N4 -","- C56 H40 N4 -","- C224 H160 N16 -","4","1","","Chen, Jin-Fa; Wang, Yuxuan; Shi, Bingbing; Yao, Hong; Wei, Tai-Bao; Lin, Qi","A V-shaped small molecule-based crystalline nonporous supramolecular organic framework for capturing benzene-based contaminants","Chemical Communications","2025","61","54","9912","9915","10.1039/D5CC01950H","","x-ray","1.54184","CuKα","","0.0371","0.0342","","","0.087","0.0894","","","","","","1.037","","","","has coordinates","300523","2025-07-06","13:33:32",""
"7134624","30.1235","0.0007","14.8515","0.0004","8.8086","0.0002","90","","90","","90","","3940.78","0.17","150","0.1","150","0.1","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C55 H38 N4 -","- C55 H38 N4 -","- C220 H152 N16 -","4","0.5","","Chen, Jin-Fa; Wang, Yuxuan; Shi, Bingbing; Yao, Hong; Wei, Tai-Bao; Lin, Qi","A V-shaped small molecule-based crystalline nonporous supramolecular organic framework for capturing benzene-based contaminants","Chemical Communications","2025","61","54","9912","9915","10.1039/D5CC01950H","","x-ray","1.54184","CuKα","","0.0738","0.0601","","","0.1536","0.1685","","","","","","1.069","","","","has coordinates,has disorder","300523","2025-07-06","13:33:32",""
"7134625","29.0124","0.0007","9.1087","0.0002","19.0026","0.0004","90","","107.111","0.002","90","","4799.45","0.19","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C66 H48 N4 -","- C66 H48 N4 -","- C264 H192 N16 -","4","1","","Chen, Jin-Fa; Wang, Yuxuan; Shi, Bingbing; Yao, Hong; Wei, Tai-Bao; Lin, Qi","A V-shaped small molecule-based crystalline nonporous supramolecular organic framework for capturing benzene-based contaminants","Chemical Communications","2025","61","54","9912","9915","10.1039/D5CC01950H","","x-ray","1.54184","CuKα","","0.1168","0.0962","","","0.273","0.2824","","","","","","1.112","","","","has coordinates","300523","2025-07-06","13:33:32",""
"7134626","15.4109","0.0004","8.6328","0.0002","16.4219","0.0005","90","","111.528","0.003","90","","2032.34","0.1","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C56 H40 N4 -","- C56 H40 N4 -","- C112 H80 N8 -","2","1","","Chen, Jin-Fa; Wang, Yuxuan; Shi, Bingbing; Yao, Hong; Wei, Tai-Bao; Lin, Qi","A V-shaped small molecule-based crystalline nonporous supramolecular organic framework for capturing benzene-based contaminants","Chemical Communications","2025","61","54","9912","9915","10.1039/D5CC01950H","","x-ray","1.54184","CuKα","","0.0392","0.0344","","","0.0887","0.092","","","","","","1.038","","","","has coordinates,has disorder","300523","2025-07-06","13:33:32",""
"7134627","10.0684","0.0003","17.5734","0.0005","26.7319","0.0009","90","","96.356","0.004","90","","4700.8","0.3","105","0.1","105","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H64 O12 -","- C56 H64 O12 -","- C224 H256 O48 -","4","1","","Gharpure, Santosh J.; Gupta, Krishna S.; Yadav, Rakhi","Lewis acid-promoted cascade reactions of cyclopropenes: a unified approach to stereoselective synthesis of cyclic ethers and oxaspirolactones","Chemical Communications","2025","61","53","9705","9708","10.1039/D5CC00925A","","x-ray","0.71073","MoKα","","0.1047","0.052","","","0.1223","0.1502","","","","","","1.003","","","","has coordinates","300430","2025-07-06","12:59:43",""
"7134628","6.616","0.0005","9.4274","0.0007","12.6888","0.0007","81.897","0.006","87.036","0.006","79.394","0.006","769.86","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 N11 O5 -","- C10 H15 N11 O5 -","- C20 H30 N22 O10 -","2","1","","Jiang, Xiu’e; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua","Facile synthesis of bicyclic heat-resistant energetic materials via a C–N coupling strategy","Chemical Communications","2025","61","54","9924","9927","10.1039/D5CC02076J","","","1.54178","CuKα","","0.119","0.0841","","","0.2011","0.2247","","","","","","0.792","","","","has coordinates","300521","2025-07-06","13:32:56",""
"7134629","13.9342","0.0001","14.6464","0.0002","16.6514","0.0002","90","","98.281","0.001","90","","3362.88","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 N23 O8 -","- C21 H39 N23 O8 -","- C84 H156 N92 O32 -","4","1","","Jiang, Xiu’e; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua","Facile synthesis of bicyclic heat-resistant energetic materials via a C–N coupling strategy","Chemical Communications","2025","61","54","9924","9927","10.1039/D5CC02076J","","","1.54178","CuKα","","0.0696","0.0577","","","0.124","0.13","","","","","","1.069","","","","has coordinates,has disorder","300521","2025-07-06","13:32:56",""
"7134630","5.1692","0.0001","19.0438","0.0004","13.7975","0.0003","90","","96.071","0.002","90","","1350.63","0.05","298.15","","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N10 O7 -","- C8 H10 N10 O7 -","- C32 H40 N40 O28 -","4","1","","Jiang, Xiu’e; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua","Facile synthesis of bicyclic heat-resistant energetic materials via a C–N coupling strategy","Chemical Communications","2025","61","54","9924","9927","10.1039/D5CC02076J","","","1.54178","CuKα","","0.0521","0.0415","","","0.1133","0.1206","","","","","","1.033","","","","has coordinates","300521","2025-07-06","13:32:56",""
"7134631","8.2784","0.0007","9.1672","0.0007","9.3028","0.0007","92.785","0.003","90.887","0.003","103.678","0.003","684.89","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C5 H10 Cl2 N10 O8 -","- C5 H10 Cl2 N10 O8 -","- C10 H20 Cl4 N20 O16 -","2","1","","Jiang, Xiu’e; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua","Facile synthesis of bicyclic heat-resistant energetic materials via a C–N coupling strategy","Chemical Communications","2025","61","54","9924","9927","10.1039/D5CC02076J","","","0.71073","MoKα","","0.1229","0.0619","","","0.1171","0.1453","","","","","","1.027","","","","has coordinates","300521","2025-07-06","13:32:56",""
"7134632","13.4289","0.001","14.022","0.001","21.405","0.0016","85.41","0.001","73.355","0.001","80.472","0.001","3806.1","0.5","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H119 I S2 U -","- C81 H119 I S2 U -","- C162 H238 I2 S4 U2 -","2","1","","Queen, Joshua D.; Ma, Eric; Rajabi, Ahmadreza; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Four-electron oxidation and one-electron reduction of the bis(terphenylthiolate) U(II) complex, U(SAr<sup>iPr6</sup>)<sub>2</sub> [Ar<sup>iPr6</sup> = C<sub>6</sub>H<sub>3</sub>-2,6-(C<sub>6</sub>H<sub>2</sub>-2,4,6-<sup>i</sup>Pr<sub>3</sub>)<sub>2</sub>].","Chemical communications (Cambridge, England)","2025","61","56","10319","10322","10.1039/d5cc02284c","","","0.71073","MoKα","","0.0368","0.0285","","","0.0634","0.066","","","","","","1.03","","","","has coordinates,has disorder","301476","2025-08-05","20:38:03",""
"7134633","14.272","0.0003","19.9414","0.0004","24.2485","0.0005","90","","98.185","0.002","90","","6830.9","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H98 K S2 U -","- C72 H98 K S2 U -","- C288 H392 K4 S8 U4 -","4","1","","Queen, Joshua D.; Ma, Eric; Rajabi, Ahmadreza; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Four-electron oxidation and one-electron reduction of the bis(terphenylthiolate) U(II) complex, U(SAr<sup>iPr6</sup>)<sub>2</sub> [Ar<sup>iPr6</sup> = C<sub>6</sub>H<sub>3</sub>-2,6-(C<sub>6</sub>H<sub>2</sub>-2,4,6-<sup>i</sup>Pr<sub>3</sub>)<sub>2</sub>].","Chemical communications (Cambridge, England)","2025","61","56","10319","10322","10.1039/d5cc02284c","","","1.54178","CuKα","","0.0752","0.0581","","","0.1399","0.1497","","","","","","1.031","","","","has coordinates,has disorder","301476","2025-08-05","20:38:04",""
"7134634","9.864","0.009","17.52","0.016","20.169","0.018","87.762","0.011","84.587","0.01","85.962","0.01","3460","5","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H98 S2 U -","- C72 H98 S2 U -","- C144 H196 S4 U2 -","2","1","","Queen, Joshua D.; Ma, Eric; Rajabi, Ahmadreza; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Four-electron oxidation and one-electron reduction of the bis(terphenylthiolate) U(II) complex, U(SAr<sup>iPr6</sup>)<sub>2</sub> [Ar<sup>iPr6</sup> = C<sub>6</sub>H<sub>3</sub>-2,6-(C<sub>6</sub>H<sub>2</sub>-2,4,6-<sup>i</sup>Pr<sub>3</sub>)<sub>2</sub>].","Chemical communications (Cambridge, England)","2025","61","56","10319","10322","10.1039/d5cc02284c","","","0.71073","MoKα","","0.1312","0.1066","","","0.2594","0.2753","","","","","","1.095","","","","has coordinates,has disorder","301476","2025-08-05","20:38:04",""
"7134635","30.491","0.005","18.735","0.003","18.433","0.003","90","","113.138","0.002","90","","9683","3","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H124 N2 O2 S2 U -","- C92 H124 N2 O2 S2 U -","- C368 H496 N8 O8 S8 U4 -","4","0.5","","Queen, Joshua D.; Ma, Eric; Rajabi, Ahmadreza; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Four-electron oxidation and one-electron reduction of the bis(terphenylthiolate) U(II) complex, U(SAr<sup>iPr6</sup>)<sub>2</sub> [Ar<sup>iPr6</sup> = C<sub>6</sub>H<sub>3</sub>-2,6-(C<sub>6</sub>H<sub>2</sub>-2,4,6-<sup>i</sup>Pr<sub>3</sub>)<sub>2</sub>].","Chemical communications (Cambridge, England)","2025","61","56","10319","10322","10.1039/d5cc02284c","","","0.71073","MoKα","","0.0429","0.0288","","","0.0725","0.0789","","","","","","1.029","","","","has coordinates,has disorder","301476","2025-08-05","20:38:04",""
"7134636","9.1916","0.0008","11.5805","0.001","13.772","0.0012","70.993","0.002","85.658","0.002","72.744","0.002","1323.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Cl2 Cu N3 O6 -","- C26 H25 Cl2 Cu N3 O6 -","- C52 H50 Cl4 Cu2 N6 O12 -","2","1","","Dutta, Lesa; Das, Avijit; Hasan, Babar; Paria, Sayantan; Mondal, Dhrubajyoti","Comparing electrocatalytic and chemical oxygen reduction reaction by a molecular copper complex","Chemical Communications","2025","61","55","10158","10161","10.1039/D5CC01491C","","","0.71073","MoKα","","0.0679","0.0466","","","0.1141","0.1277","","","","","","1.047","","","","has coordinates","300396","2025-07-06","12:42:15",""
"7134637","12.8921","0.0013","16.3316","0.0017","29.441","0.003","90","","96.406","0.002","90","","6160.1","1.1","293.15","","293.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52 H51 Cl6 Cu2 N6 O22 -","- C52 H51 Cl6 Cu2 N6 O22 -","- C208 H204 Cl24 Cu8 N24 O88 -","4","1","","Dutta, Lesa; Das, Avijit; Hasan, Babar; Paria, Sayantan; Mondal, Dhrubajyoti","Comparing electrocatalytic and chemical oxygen reduction reaction by a molecular copper complex","Chemical Communications","2025","61","55","10158","10161","10.1039/D5CC01491C","","","0.71073","MoKα","","0.0574","0.048","","","0.123","0.1305","","","","","","1.016","","","","has coordinates,has disorder","300396","2025-07-06","12:42:15",""
"7134638","9.2189","0.0005","10.9073","0.0007","11.3585","0.0008","97.835","0.002","101.293","0.002","106.079","0.0019","1053.97","0.12","294","2","294","2","","","","","","","","5","P -1","-P 1","2","3,3-dimethyl-1-phenyl-4-(phenyl(phenylselanyl)methylene)pyrrolidin-2-one","3,3-dimethyl-1-phenyl-4-(phenyl(phenylselanyl)methylene)pyrrolidin-2-one","","- C25 H23 N O Se -","- C25 H23 N O Se -","- C50 H46 N2 O2 Se2 -","2","1","","MohanaKrishna, Silari; Prasad, Vadla Shiva; Ranga Rao, Vadithya; Ravi, Dharavath; Kumar, Chelukalapally Anil; Adiyala, Praveen Reddy","Stereoselective synthesis of chalcogen-tethered <i>γ</i>-lactams <i>via</i> 5-<i>exo-dig</i> cyclisation under visible-light irradiation.","Chemical communications (Cambridge, England)","2025","61","56","10363","10366","10.1039/d5cc01525a","","","0.71073","MoKα","","0.0488","0.0359","","","0.0859","0.093","","","","","","1.042","","","","has coordinates,has disorder","301472","2025-08-05","20:32:40",""
"7134639","10.4055","0.0004","25.6624","0.0012","12.8303","0.0006","90","","103.621","0.004","90","","3329.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","P21/n","","- C36 H55 Al N2 -","- C36 H55 Al N2 -","- C144 H220 Al4 N8 -","4","1","","Chen, Yiwen; Pang, Ziyuan; Li, Gege; Yang, Xiaobo; Yan, Wenliang; Li, Qifeng; Dong, Xuan; Ma, Xiaoli; Yang, Zhi","Alkylaluminium-catalyzed regioselective hydrophosphinylation of α,β-unsaturated ketones into γ-ketophosphine oxides","Chemical Communications","2025","61","53","9666","9669","10.1039/D5CC01440A","","","0.71073","MoKα","","0.1147","0.0797","","","0.2132","0.234","","","","","","1.102","","","","has coordinates,has disorder","300428","2025-07-06","12:59:13",""
"7134640","15.6163","0.0007","22.5091","0.0009","7.737","0.0005","90","","90","","90","","2719.6","0.2","99.99","0.1","99.99","0.1","","","","","","","","4","A e m 2","A 2 -2b","39","","","","- C30 H43 Al N2 -","- C30 H43 Al N2 -","- C120 H172 Al4 N8 -","4","0.5","","Chen, Yiwen; Pang, Ziyuan; Li, Gege; Yang, Xiaobo; Yan, Wenliang; Li, Qifeng; Dong, Xuan; Ma, Xiaoli; Yang, Zhi","Alkylaluminium-catalyzed regioselective hydrophosphinylation of α,β-unsaturated ketones into γ-ketophosphine oxides","Chemical Communications","2025","61","53","9666","9669","10.1039/D5CC01440A","","x-ray","0.71073","MoKα","","0.067","0.0636","","","0.1627","0.1645","","","","","","1.079","","","","has coordinates,has disorder","300428","2025-07-06","12:59:13",""
"7134641","16.5787","0.0004","20.7155","0.0004","29.815","0.0006","90","","90","","90","","10239.5","0.4","99.9","0.2","99.9","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 Al N2 -","- C28 H39 Al N2 -","- C448 H624 Al16 N32 -","16","4","","Chen, Yiwen; Pang, Ziyuan; Li, Gege; Yang, Xiaobo; Yan, Wenliang; Li, Qifeng; Dong, Xuan; Ma, Xiaoli; Yang, Zhi","Alkylaluminium-catalyzed regioselective hydrophosphinylation of α,β-unsaturated ketones into γ-ketophosphine oxides","Chemical Communications","2025","61","53","9666","9669","10.1039/D5CC01440A","","x-ray","0.71073","MoKα","","0.0692","0.0461","","","0.1108","0.1184","","","","","","1.04","","","","has coordinates","300428","2025-07-06","12:59:13",""
"7134642","5.7275","0.0003","20.7047","0.0012","17.3578","0.0011","90","","91.347","0.006","90","","2057.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","P21","","- C50 H54 O4 P2 -","- C50 H54 O4 P2 -","- C100 H108 O8 P4 -","2","1","","Chen, Yiwen; Pang, Ziyuan; Li, Gege; Yang, Xiaobo; Yan, Wenliang; Li, Qifeng; Dong, Xuan; Ma, Xiaoli; Yang, Zhi","Alkylaluminium-catalyzed regioselective hydrophosphinylation of α,β-unsaturated ketones into γ-ketophosphine oxides","Chemical Communications","2025","61","53","9666","9669","10.1039/D5CC01440A","","","0.71073","MoKα","","0.1171","0.1083","","","0.2806","0.2867","","","","","","1.107","","","","has coordinates,has disorder","300428","2025-07-06","12:59:13",""
"7134643","13.5806","0.0009","13.6","0.0009","14.5161","0.0011","90","","101.264","0.003","90","","2629.4","0.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N O2 S -","- C15 H13 N O2 S -","- C120 H104 N8 O16 S8 -","8","1","","Reddy, Chada Raji; Enagandhula, Damodar; Ramaraju, Andhavaram; Shivakrishna, Avula; Adepu, Raju","Divergent [3+2] annulations of oxime acetates with thioaurones/aurones leading to benzothiazino-/benzoyl-pyrroles","Chemical Communications","2025","61","55","10162","10165","10.1039/D5CC00956A","","","0.71073","MoKα","","0.0951","0.0406","","","0.093","0.1165","","","","","","1.004","","","","has coordinates","300397","2025-07-06","12:43:24",""
"7134644","18.065","0.0005","7.471","0.0002","13.402","0.0004","90","","97.245","0.002","90","","1794.34","0.09","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C84 H76 N4 O20 -","4","1","","Reddy, Chada Raji; Enagandhula, Damodar; Ramaraju, Andhavaram; Shivakrishna, Avula; Adepu, Raju","Divergent [3+2] annulations of oxime acetates with thioaurones/aurones leading to benzothiazino-/benzoyl-pyrroles","Chemical Communications","2025","61","55","10162","10165","10.1039/D5CC00956A","","","0.71073","MoKα","","0.1056","0.0579","","","0.1216","0.1449","","","","","","1.013","","","","has coordinates","300397","2025-07-06","12:43:25",""
"7134645","9.7767","0.0007","13.9453","0.0008","14.5788","0.0009","103.754","0.002","99.474","0.002","108.72","0.002","1764.7","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N O3 S -","- C21 H17 N O3 S -","- C84 H68 N4 O12 S4 -","4","2","","Reddy, Chada Raji; Enagandhula, Damodar; Ramaraju, Andhavaram; Shivakrishna, Avula; Adepu, Raju","Divergent [3+2] annulations of oxime acetates with thioaurones/aurones leading to benzothiazino-/benzoyl-pyrroles","Chemical Communications","2025","61","55","10162","10165","10.1039/D5CC00956A","","","0.71073","MoKα","","0.1291","0.059","","","0.1399","0.1815","","","","","","1.01","","","","has coordinates","300397","2025-07-06","12:43:25",""
"7134646","22.7264","0.0005","15.2574","0.0003","21.1376","0.0004","90","","108.97","0.001","90","","6931.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Mondal_1_262_2","","","- C82 H78 Fe2 N2 P6 -","- C82 H78 Fe2 N2 P6 -","- C328 H312 Fe8 N8 P24 -","4","1","","Smythe, Nathan C.; Mondal, Joydeb; Duque, Juan G.; Feller, Russell K.; Flores, Marco; Gordon, John C.; Henson, Neil J.; Paz-Pasternak, Moshe; Rein, Francisca N.; Scott, Brian L.; Taylor, R. Dean; Trovitch, Ryan J.","Historical account of dinitrogen-bridged diiron complex synthesis using a commercial tripodal ligand","Chemical Communications","2025","61","54","9908","9911","10.1039/D5CC02058A","","","0.71073","MoKα","","0.0422","0.0329","","","0.083","0.0894","","","","","","1.033","","","","has coordinates","300524","2025-07-06","13:33:53",""
"7134647","15.9754","0.0003","16.3642","0.0003","17.2574","0.0004","71.799","0.002","72.239","0.002","62.887","0.002","3743.54","0.15","100","0.3","100","0.3","","","","","","","","9","P -1","-P 1","2","","","","- C9 H19 B11 Cl11 F6 N O4 S2 Si2 -","- C9 H19 B11 Cl11 F6 N O4 S2 Si2 -","- C36 H76 B44 Cl44 F24 N4 O16 S8 Si8 -","4","2","","Daum, Joshua H.; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Structure and reactivity of a triflimide-bridged bis(trimethylsilyl) cation.","Chemical communications (Cambridge, England)","2025","61","58","10816","10818","10.1039/d5cc01223f","","x-ray","1.54184","CuKα","","0.0749","0.0669","","","0.181","0.1866","","","","","","1.048","","","","has coordinates,has disorder","301483","2025-08-05","20:41:38",""
"7134648","12.2585","0.0015","21.027","0.003","11.8947","0.0014","90","","102.628","0.004","90","","2991.8","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","DS-Mo1","Mo(CO)3(MeCN)(P2N2)","","- C29 H39 Mo N3 O3 P2 -","- C29 H39 Mo N3 O3 P2 -","- C116 H156 Mo4 N12 O12 P8 -","4","1","","Benedict, Rory J.; Heiden, Zachariah M.; Stephens, David N.; Arulsamy, Navamoney; Mock, Michael T.","Catalytic NH<sub>3</sub> oxidation to N<sub>2</sub> by hydrogen atom abstraction using a low-valent molybdenum complex.","Chemical communications (Cambridge, England)","2025","61","56","10315","10318","10.1039/d5cc02433a","","","0.71073","MoKα","","0.0393","0.0384","","","0.0914","0.0919","","","","","","1.078","","","","has coordinates","301469","2025-08-05","20:30:18",""
"7134649","14.868","0.002","13.21","0.002","18.026","0.003","90","","108.924","0.004","90","","3349.1","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","DS-Mo-1","Mo(CO)3(NH3)(P2N2)","","- C33 H44 F Mo N3 O3 P2 -","- C33 H44 F Mo N3 O3 P2 -","- C132 H176 F4 Mo4 N12 O12 P8 -","4","1","","Benedict, Rory J.; Heiden, Zachariah M.; Stephens, David N.; Arulsamy, Navamoney; Mock, Michael T.","Catalytic NH<sub>3</sub> oxidation to N<sub>2</sub> by hydrogen atom abstraction using a low-valent molybdenum complex.","Chemical communications (Cambridge, England)","2025","61","56","10315","10318","10.1039/d5cc02433a","","","0.71073","MoKα","","0.072","0.0432","","","0.083","0.0961","","","","","","1.035","","","","has coordinates","301469","2025-08-05","20:30:20",""
"7134650","9.762","0.002","19.29","0.004","13.15","0.003","90","","110.326","0.006","90","","2322.1","0.9","301","2","301.4","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-4-(2-(4-methoxyphenyl)-1,4-diphenylbut-1-en-3-yn-1-yl)benzonitrile","","- C30 H21 N O -","- C30 H21 N O -","- C120 H84 N4 O4 -","4","1","","Ghosh, Suman; Rooj, Arnab; Deb, Shreya; Ganesh, Venkataraman","Cu<sup>(I)</sup>/Pd<sup>(0)</sup> cooperative catalysis enabled regioselective C(sp<sup>2</sup>)-carboboration of 1,3-diynes.","Chemical communications (Cambridge, England)","2025","61","56","10323","10326","10.1039/d5cc02545a","","x-ray","0.71073","MoKα","","0.0907","0.0492","","","0.132","0.1507","","","","","","1.08","","","","has coordinates","301477","2025-08-05","20:38:43",""
"7134651","13.5529","0.0005","7.6912","0.0003","19.3672","0.0008","90","","106.088","0.002","90","","1939.74","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl In N2 O4 -","- C20 H20 Cl In N2 O4 -","- C80 H80 Cl4 In4 N8 O16 -","4","1","","Baumeyer, Oliver; Wu, Andrew; Pandya, Aastha; Nelson, Peter; Hillesheim, Patrick C.; Zeller, Matthias; Carignan, Gia M.; Li, Jing; Ki, Daniel W.","Aggregation-induced emission-active indium complex as fluorescent turn-off chemosensor for perfluoroalkyl substances","Chemical Communications","2025","61","55","10170","10173","10.1039/D5CC02424B","","","0.71073","MoKα","","0.026","0.0194","","","0.0454","0.0469","","","","","","1.08","","","","has coordinates","300398","2025-07-06","12:43:57",""
"7134652","31.5672","0.0007","4.6473","0.0001","18.6492","0.0004","90","","101.217","0.002","90","","2683.62","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","LKI1087-10","","- C28 H34 I2 N2 O2 -","- C28 H34 I2 N2 O2 -","- C112 H136 I8 N8 O8 -","4","0.5","","Skonieczny, Kamil; Kielesiński, Łukasz; Grzybowski, Marek; Gryko, Daniel T.","Polysubstitution of dipyrrolonaphthyridinediones as a potent strategy towards strongly emitting fluorophores","Chemical Communications","2025","61","55","10178","10181","10.1039/D5CC01880C","","x-ray","0.71073","MoKα","","0.0662","0.0395","","","0.1191","0.1341","","","","","","0.893","","","","has coordinates","300535","2025-07-06","13:38:24",""
"7134653","4.5767","0.0004","9.1416","0.0019","16.102","0.0016","74.174","0.013","89.89","0.008","76.786","0.012","629.67","0.16","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Br2 N2 O2 -","- C28 H34 Br2 N2 O2 -","- C28 H34 Br2 N2 O2 -","1","0.5","","Skonieczny, Kamil; Kielesiński, Łukasz; Grzybowski, Marek; Gryko, Daniel T.","Polysubstitution of dipyrrolonaphthyridinediones as a potent strategy towards strongly emitting fluorophores","Chemical Communications","2025","61","55","10178","10181","10.1039/D5CC01880C","","x-ray","1.54184","CuKα","","0.1062","0.0999","","","0.279","0.2828","","","","","","1.151","","","","has coordinates","300535","2025-07-06","13:38:26",""
"7134654","28.5128","0.0017","11.9757","0.0007","20.7828","0.0011","90","","118.145","0.003","90","","6257.4","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Li N2 O2 -","- C16 H20 Li N2 O2 -","- C256 H320 Li16 N32 O32 -","16","2","","Suo, Meng-Ting; Fleege, Jouke A.; Yutronkie, Nathan J.; Nadurata, Vincent L.; Chernyshov, Dmitry; Rouzières, Mathieu; Mailman, Aaron; Clérac, Rodolphe; Dechambenoit, Pierre","Syntheses and characterisation of terephthalonitrile radical salts","Chemical Communications","2025","61","54","9972","9975","10.1039/D5CC02417J","","","0.71073","MoKα","","0.1583","0.0585","","","0.1473","0.193","","","","","","1.022","","","","has coordinates","300520","2025-07-06","13:32:40",""
"7134655","14.939","0.004","5.9609","0.0016","18.837","0.004","90","","101.844","0.015","90","","1641.7","0.7","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Li N2 O2 -","- C16 H20 Li N2 O2 -","- C64 H80 Li4 N8 O8 -","4","0.5","","Suo, Meng-Ting; Fleege, Jouke A.; Yutronkie, Nathan J.; Nadurata, Vincent L.; Chernyshov, Dmitry; Rouzières, Mathieu; Mailman, Aaron; Clérac, Rodolphe; Dechambenoit, Pierre","Syntheses and characterisation of terephthalonitrile radical salts","Chemical Communications","2025","61","54","9972","9975","10.1039/D5CC02417J","","","0.71073","MoKα","","0.1224","0.0703","","","0.2259","0.2597","","","","","","1.118","","","","has coordinates","300520","2025-07-06","13:32:41",""
"7134656","20.749","0.002","9.4724","0.001","11.9937","0.0012","90","","101.2","0.003","90","","2312.4","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N2 Na O -","- C12 H12 N2 Na O -","- C96 H96 N16 Na8 O8 -","8","1","","Suo, Meng-Ting; Fleege, Jouke A.; Yutronkie, Nathan J.; Nadurata, Vincent L.; Chernyshov, Dmitry; Rouzières, Mathieu; Mailman, Aaron; Clérac, Rodolphe; Dechambenoit, Pierre","Syntheses and characterisation of terephthalonitrile radical salts","Chemical Communications","2025","61","54","9972","9975","10.1039/D5CC02417J","","","0.71073","MoKα","","0.0874","0.0449","","","0.1042","0.1272","","","","","","1.033","","","","has coordinates","300520","2025-07-06","13:32:41",""
"7134657","12.1737","0.0012","12.1737","0.0012","19.4498","0.0019","90","","90","","120","","2496.3","0.4","294.2","0.5","294.2","0.5","","","","","","","","5","P 32","P 32","145","","","","- C12 H32 Ag5 I7 N2 -","- C12 H32 Ag5 I7 N2 -","- C36 H96 Ag15 I21 N6 -","3","1","","Liu, Tong; Zheng, Yong-Shen; Liang, Xiao-Wen; Yao, Zhao-Quan; Zhao, Jiong-Peng; Liu, Fu-Chen","One-dimensional silver iodide homo-helical chains induced by achiral ammonium featuring second-order optical nonlinearity.","Chemical communications (Cambridge, England)","2025","61","56","10327","10330","10.1039/d5cc03059e","","x-ray","0.71073","MoKα","","0.0731","0.0474","","","0.1192","0.1319","","","","","","1.021","","","","has coordinates,has disorder","301471","2025-08-05","20:31:04",""
"7134658","12.0472","0.0006","12.0472","0.0006","19.178","0.001","90","","90","","120","","2410.5","0.2","109.97","0.13","109.97","0.13","","","","","","","","5","P 32","P 32","145","","","","- C12 H32 Ag5 I7 N2 -","- C12 H32 Ag5 I7 N2 -","- C36 H96 Ag15 I21 N6 -","3","1","","Liu, Tong; Zheng, Yong-Shen; Liang, Xiao-Wen; Yao, Zhao-Quan; Zhao, Jiong-Peng; Liu, Fu-Chen","One-dimensional silver iodide homo-helical chains induced by achiral ammonium featuring second-order optical nonlinearity.","Chemical communications (Cambridge, England)","2025","61","56","10327","10330","10.1039/d5cc03059e","","x-ray","0.71073","MoKα","","0.0898","0.0738","","","0.1813","0.1946","","","","","","1.019","","","","has coordinates,has disorder","301471","2025-08-05","20:31:05",""
"7134659","12.0456","0.0006","12.0456","0.0006","19.1296","0.001","90","","90","","120","","2403.8","0.2","80","1","80","1","","","","","","","","5","P 31","P 31","144","","","","- C12 H32 Ag5 I7 N2 -","- C12 H32 Ag5 I7 N2 -","- C36 H96 Ag15 I21 N6 -","3","1","","Liu, Tong; Zheng, Yong-Shen; Liang, Xiao-Wen; Yao, Zhao-Quan; Zhao, Jiong-Peng; Liu, Fu-Chen","One-dimensional silver iodide homo-helical chains induced by achiral ammonium featuring second-order optical nonlinearity.","Chemical communications (Cambridge, England)","2025","61","56","10327","10330","10.1039/d5cc03059e","","x-ray","0.71073","MoKα","","0.0548","0.0531","","","0.1345","0.1354","","","","","","1.044","","","","has coordinates,has disorder","301471","2025-08-05","20:31:05",""
"7134660","43.9803","0.0004","8.1757","0.0001","14.3605","0.0001","90","","105.417","0.001","90","","4977.8","0.09","149.99","0.1","149.99","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H17 Br Cl2 O2 -","- C31 H17 Br Cl2 O2 -","- C248 H136 Br8 Cl16 O16 -","8","2","","Xu, Ke; Zhao, Jiayi; Lin, Kejun; Zhu, Tingshun","Carbene-organocatalyzed enantioselective [5+5] annulation of dienols and dienals towards tetrahydroisochromen-1-ones.","Chemical communications (Cambridge, England)","2025","61","57","10602","10605","10.1039/d5cc02347e","","x-ray","1.54184","CuKα","","0.0399","0.0386","","","0.1032","0.1051","","","","","","1.065","","","","has coordinates","301494","2025-08-05","20:50:06",""
"7134661","16.7397","0.0003","16.7397","0.0003","10.5216","0.0003","90","","90","","90","","2948.34","0.11","149.99","0.1","149.99","0.1","","","","","","","","4","P 43","P 4cw","78","","","","- C35 H36 N O7 -","- C35 H36 N O7 -","- C140 H144 N4 O28 -","4","1","","Xu, Ke; Zhao, Jiayi; Lin, Kejun; Zhu, Tingshun","Carbene-organocatalyzed enantioselective [5+5] annulation of dienols and dienals towards tetrahydroisochromen-1-ones.","Chemical communications (Cambridge, England)","2025","61","57","10602","10605","10.1039/d5cc02347e","","x-ray","1.54184","CuKα","","0.0749","0.071","","","0.2088","0.2159","","","","","","1.055","","","","has coordinates,has disorder","301494","2025-08-05","20:50:07",""
"7134662","8.2745","0.0002","33.3961","0.0007","10.3175","0.0002","90","","104.258","0.002","90","","2763.27","0.11","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 N O7 -","- C32 H31 N O7 -","- C128 H124 N4 O28 -","4","1","","Xu, Ke; Zhao, Jiayi; Lin, Kejun; Zhu, Tingshun","Carbene-organocatalyzed enantioselective [5+5] annulation of dienols and dienals towards tetrahydroisochromen-1-ones.","Chemical communications (Cambridge, England)","2025","61","57","10602","10605","10.1039/d5cc02347e","","x-ray","1.54184","CuKα","","0.0511","0.0414","","","0.1033","0.1079","","","","","","1.073","","","","has coordinates","301494","2025-08-05","20:50:07",""
"7134663","10.3074","0.0003","10.562","0.0004","12.7619","0.0004","102.425","0.003","99.324","0.003","101.043","0.003","1301.4","0.08","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H29 N O7 -","- C32 H29 N O7 -","- C64 H58 N2 O14 -","2","1","","Xu, Ke; Zhao, Jiayi; Lin, Kejun; Zhu, Tingshun","Carbene-organocatalyzed enantioselective [5+5] annulation of dienols and dienals towards tetrahydroisochromen-1-ones.","Chemical communications (Cambridge, England)","2025","61","57","10602","10605","10.1039/d5cc02347e","","x-ray","1.54184","CuKα","","0.0519","0.0433","","","0.1105","0.1149","","","","","","1.068","","","","has coordinates","301494","2025-08-05","20:50:07",""
"7134664","7.0286","0.0001","19.9167","0.0002","10.5748","0.0001","90","","103.574","0.001","90","","1438.98","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H29 Cl2 N O6 -","- C32 H29 Cl2 N O6 -","- C64 H58 Cl4 N2 O12 -","2","1","","Xu, Ke; Zhao, Jiayi; Lin, Kejun; Zhu, Tingshun","Carbene-organocatalyzed enantioselective [5+5] annulation of dienols and dienals towards tetrahydroisochromen-1-ones.","Chemical communications (Cambridge, England)","2025","61","57","10602","10605","10.1039/d5cc02347e","","x-ray","1.54184","CuKα","","0.0395","0.0364","","","0.0926","0.0944","","","","","","1.056","","","","has coordinates","301494","2025-08-05","20:50:07",""
"7134665","7.2896","0.0001","9.999","0.0001","10.356","0.0002","90.903","0.001","104.271","0.001","97.532","0.001","724.321","0.019","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C33 H29 Cl2 N O4 -","- C33 H29 Cl2 N O4 -","- C33 H29 Cl2 N O4 -","1","1","","Xu, Ke; Zhao, Jiayi; Lin, Kejun; Zhu, Tingshun","Carbene-organocatalyzed enantioselective [5+5] annulation of dienols and dienals towards tetrahydroisochromen-1-ones.","Chemical communications (Cambridge, England)","2025","61","57","10602","10605","10.1039/d5cc02347e","","x-ray","1.54184","CuKα","","0.0301","0.0294","","","0.0762","0.077","","","","","","1.026","","","","has coordinates","301494","2025-08-05","20:50:07",""
"7134666","10.7735","0.0002","28.0445","0.0005","8.8667","0.0002","90","","104.427","0.002","90","","2594.48","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 F O5 -","- C32 H29 F O5 -","- C128 H116 F4 O20 -","4","1","","Xu, Ke; Zhao, Jiayi; Lin, Kejun; Zhu, Tingshun","Carbene-organocatalyzed enantioselective [5+5] annulation of dienols and dienals towards tetrahydroisochromen-1-ones.","Chemical communications (Cambridge, England)","2025","61","57","10602","10605","10.1039/d5cc02347e","","x-ray","1.54184","CuKα","","0.0791","0.0631","","","0.185","0.1942","","","","","","1.12","","","","has coordinates,has disorder","301494","2025-08-05","20:50:07",""
"7134667","22.0372","0.0003","9.6693","0.0001","26.7286","0.0004","90","","110.983","0.002","90","","5317.76","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H58 N2 O16 -","- C62 H58 N2 O16 -","- C248 H232 N8 O64 -","4","1","","Xu, Ke; Zhao, Jiayi; Lin, Kejun; Zhu, Tingshun","Carbene-organocatalyzed enantioselective [5+5] annulation of dienols and dienals towards tetrahydroisochromen-1-ones.","Chemical communications (Cambridge, England)","2025","61","57","10602","10605","10.1039/d5cc02347e","","x-ray","1.54184","CuKα","","0.0604","0.0531","","","0.1469","0.1551","","","","","","1.053","","","","has coordinates","301494","2025-08-05","20:50:07",""
"7134668","10.51673","0.0001","11.3459","0.0001","22.2044","0.0002","90","","90","","90","","2649.47","0.04","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 N O7 -","- C32 H29 N O7 -","- C128 H116 N4 O28 -","4","1","","Xu, Ke; Zhao, Jiayi; Lin, Kejun; Zhu, Tingshun","Carbene-organocatalyzed enantioselective [5+5] annulation of dienols and dienals towards tetrahydroisochromen-1-ones.","Chemical communications (Cambridge, England)","2025","61","57","10602","10605","10.1039/d5cc02347e","","x-ray","0.71073","MoKα","","0.0303","0.0297","","","0.0791","0.0798","","","","","","1.045","","","","has coordinates","301494","2025-08-05","20:50:07",""
"7134669","14.4532","0.0001","14.9913","0.0001","12.6854","0.0001","90","","101.185","0.001","90","","2696.37","0.03","99.98","0.1","99.98","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 Br2 O5 -","- C31 H28 Br2 O5 -","- C124 H112 Br8 O20 -","4","1","","Xu, Ke; Zhao, Jiayi; Lin, Kejun; Zhu, Tingshun","Carbene-organocatalyzed enantioselective [5+5] annulation of dienols and dienals towards tetrahydroisochromen-1-ones.","Chemical communications (Cambridge, England)","2025","61","57","10602","10605","10.1039/d5cc02347e","","x-ray","1.54184","CuKα","","0.032","0.0309","","","0.0853","0.0861","","","","","","1.07","","","","has coordinates","301494","2025-08-05","20:50:07",""
"7134670","8.6029","0.0003","12.5447","0.0005","12.7442","0.0002","75.647","0.002","81.569","0.002","89.219","0.003","1317.67","0.07","293","2","293","","","","","","","","","4","P -1","-P 1","2","","1","","- C35 H25 N O4 -","- C35 H25 N O4 -","- C70 H50 N2 O8 -","2","1","","Yu, Rongjing; Xia, Ting; Shen, Ruwei; Zhu, Shugao","Diastereoselective synthesis of succinimide-fused polycycles <i>via</i> intermolecular interception of indanone-allene intermediates with maleimides.","Chemical communications (Cambridge, England)","2025","61","56","10335","10338","10.1039/d5cc02315g","","x-ray","1.54184","CuKα","","0.0539","0.0492","","","0.139","0.1437","","","","","","1.068","","","","has coordinates","301473","2025-08-05","20:33:23",""
"7134671","12.264","0.0007","25.385","0.0013","13.1328","0.0008","90","","93.156","0.005","90","","4082.3","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1","","- C45 H32 N2 O6 -","- C45 H32 N2 O6 -","- C180 H128 N8 O24 -","4","1","","Yu, Rongjing; Xia, Ting; Shen, Ruwei; Zhu, Shugao","Diastereoselective synthesis of succinimide-fused polycycles <i>via</i> intermolecular interception of indanone-allene intermediates with maleimides.","Chemical communications (Cambridge, England)","2025","61","56","10335","10338","10.1039/d5cc02315g","","x-ray","0.71073","MoKα","","0.097","0.0631","","","0.1514","0.1697","","","","","","1.037","","","","has coordinates,has disorder","301473","2025-08-05","20:33:24",""
"7134672","12.922","0.003","20.382","0.004","16.403","0.003","90","","92.435","0.006","90","","4316.3","1.5","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C100 H107 Si4 -","- C100 H107 Si4 -","- C200 H214 Si8 -","2","1","","Krøll, Peter Lundgård; Strandfelt, Asger; Jokumsen, Maria Harbo; Nielsen, Mogens Brøndsted","Donor/acceptor-substituted radiaannulene segments of 6,6,12-graphyne","Chemical Communications","2025","61","52","9416","9419","10.1039/D5CC02685G","","","0.71073","MoKα","","0.0995","0.0572","","","0.1249","0.1486","","","","","","0.983","","","","has coordinates,has disorder","300456","2025-07-06","13:10:24",""
"7134673","15.836","0.004","14.482","0.005","21.301","0.007","90","","91.927","0.009","90","","4882","3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C216 H253.84 N8 Si8 -","- C216 H253.836 N8 Si8 -","- C216 H253.836 N8 Si8 -","1","0.25","","Krøll, Peter Lundgård; Strandfelt, Asger; Jokumsen, Maria Harbo; Nielsen, Mogens Brøndsted","Donor/acceptor-substituted radiaannulene segments of 6,6,12-graphyne","Chemical Communications","2025","61","52","9416","9419","10.1039/D5CC02685G","","","0.71073","MoKα","","0.199","0.0961","","","0.2336","0.312","","","","","","1.028","","","","has coordinates,has disorder","300456","2025-07-06","13:10:25",""
"7134674","12.6006","0.0008","14.1684","0.0009","15.1207","0.001","71.243","0.002","73.484","0.003","75.284","0.002","2411","0.3","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C105.49 H114.49 Cl2.7 O4.26 Si4 -","- C105.505 H114.505 Cl2.6948 O4.258 Si4 -","- C105.505 H114.505 Cl2.6948 O4.258 Si4 -","1","1","","Krøll, Peter Lundgård; Strandfelt, Asger; Jokumsen, Maria Harbo; Nielsen, Mogens Brøndsted","Donor/acceptor-substituted radiaannulene segments of 6,6,12-graphyne","Chemical Communications","2025","61","52","9416","9419","10.1039/D5CC02685G","","","0.71073","MoKα","","0.091","0.0521","","","0.1188","0.1483","","","","","","1.039","","","","has coordinates,has disorder","300456","2025-07-06","13:10:25",""
"7134675","10.9872","0.0006","13.9513","0.0007","18.9119","0.001","72.067","0.002","86.454","0.002","81.331","0.002","2726.2","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C111.05 H112.8 Cl11.07 O4 Si4 -","- C111.046 H112.83 Cl11.082 O4 Si4 -","- C111.046 H112.83 Cl11.082 O4 Si4 -","1","0.5","","Krøll, Peter Lundgård; Strandfelt, Asger; Jokumsen, Maria Harbo; Nielsen, Mogens Brøndsted","Donor/acceptor-substituted radiaannulene segments of 6,6,12-graphyne","Chemical Communications","2025","61","52","9416","9419","10.1039/D5CC02685G","","","0.71073","MoKα","","0.1426","0.088","","","0.2324","0.2848","","","","","","1.034","","","","has coordinates,has disorder","300456","2025-07-06","13:10:25",""
"7134676","9.8894","0.0003","6.0908","0.0003","16.5497","0.0009","90","","96.434","0.002","90","","990.58","0.08","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 Cl4 F -","- C8 H5 Cl4 F -","- C32 H20 Cl16 F4 -","4","1","","Miele, Margherita; Castiglione, Davide; Prado-Roller, Alexander; Castoldi, Laura; Pace, Vittorio","Geminal homologative fluorination of carbonyl derivatives <i>en route</i> to 1-fluoro-2-haloethyl skeletons.","Chemical communications (Cambridge, England)","2025","61","58","10792","10795","10.1039/d5cc01542a","","","0.71073","MoKα","","0.0328","0.0233","","","0.0561","0.0596","","","","","","1.113","","","","has coordinates,has disorder","301485","2025-08-05","20:42:04",""
"7134677","7.1278","0.0002","7.5","0.0002","20.0179","0.0007","96.906","0.003","91.564","0.003","90.184","0.002","1061.94","0.06","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H36 Cl4 Cu N2 -","- C14 H36 Cl4 Cu N2 -","- C28 H72 Cl8 Cu2 N4 -","2","1","","Kusumoto, Sotaro; Nagasawa, Sakura; Suzuki, Ryo; Tachibana, Masaru; Tsuji, Yuta; Zenno, Hikaru; Nakashima, Yuto; Hayami, Shinya; Kim, Yang; Koide, Yoshihiro","Ferromagnetic and plastically deformable organic-inorganic hybrid crystal: (C<sub>7</sub>H<sub>9</sub>NH<sub>3</sub>)<sub>2</sub>CuCl<sub>4</sub>.","Chemical communications (Cambridge, England)","2025","61","56","10303","10306","10.1039/d5cc02170g","","","0.71073","MoKα","","0.051","0.0394","","","0.1032","0.1085","","","","","","1.045","","","","has coordinates","301475","2025-08-05","20:36:40",""
"7134678","12.3494","0.0005","7.306","0.0003","26.6362","0.0013","90","","90","","90","","2403.24","0.18","300","","300","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H32 Cl6 N2 Sn -","- C12.006 H32.002 Cl6 N2 Sn -","- C48.024 H128.008 Cl24 N8 Sn4 -","4","0.5","","Kusumoto, Sotaro; Nagasawa, Sakura; Suzuki, Ryo; Tachibana, Masaru; Tsuji, Yuta; Zenno, Hikaru; Nakashima, Yuto; Hayami, Shinya; Kim, Yang; Koide, Yoshihiro","Ferromagnetic and plastically deformable organic-inorganic hybrid crystal: (C<sub>7</sub>H<sub>9</sub>NH<sub>3</sub>)<sub>2</sub>CuCl<sub>4</sub>.","Chemical communications (Cambridge, England)","2025","61","56","10303","10306","10.1039/d5cc02170g","","x-ray","0.71073","MoKα","","0.0661","0.0475","","","0.1163","0.1231","","","","","","1.123","","","","has coordinates,has disorder","301475","2025-08-05","20:36:44",""
"7134679","13.893","0.014","20.91","0.02","7.841","0.008","90","","100.45","0.03","90","","2240","4","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N O3 -","- C28 H23 N O3 -","- C112 H92 N4 O12 -","4","1","","Hu, Kai; Wu, Haijian; Sun, Manman; Zhang, Jing; Wang, Zhiming; Yang, Jianguo; Zhu, Gangguo; Huang, Guo-Bo","HFIP-promoted synthesis of bicyclo[2.1.1]-hexanes through formal [2π+2σ] cycloaddition of bicyclo[1.1.0]butanes with α-cyano chalcones.","Chemical communications (Cambridge, England)","2025","61","56","10375","10378","10.1039/d5cc01838b","","","0.71073","MoKα","","0.107","0.0521","","","0.1077","0.132","","","","","","1.016","","","","has coordinates","301470","2025-08-05","20:30:40",""
"7134680","7.3169","0.0002","13.642","0.0004","38.8677","0.0012","90","","90","","90","","3879.7","0.2","93.15","","93.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H64 O8 Si -","- C37 H64 O8 Si -","- C148 H256 O32 Si4 -","4","1","","Sennari, Goh; Watanabe, Akito; Ōno, Takanori; Oshita, Jun; Noguchi, Yoshihiko; Hirose, Tomoyasu; Sunazuka, Toshiaki","Macrocyclic skeletal modification approach to the anti-trypanosomal macrolides, actinoallolides.","Chemical communications (Cambridge, England)","2025","61","56","10367","10370","10.1039/d5cc01915j","","x-ray","1.54187","CuKα","","0.1248","0.0593","","","0.0803","0.0971","","","","","","0.966","","","","has coordinates","301474","2025-08-05","20:35:19",""
"7134681","7.0448","0.0003","24.6484","0.0012","15.2708","0.0007","90","","94.92","0.001","90","","2641.9","0.2","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H74 Cu N12 O10 -","- C49 H74 Cu N12 O10 -","- C98 H148 Cu2 N24 O20 -","2","1","","Kieninger, Christoph; Wurst, Klaus; Leitner, Daniel; Peters, Luis P.; Dinu, Dennis F.; Wiedemair, Markus; Zaretzke, Marc-Kevin; Bröring, Martin; Hohloch, Stephan; Liedl, Klaus R.; Kräutler, Bernhard","Encasing the paramagnetic copper(II)-ion by the ring-contracted corrin ligand of vitamin B<sub>12</sub>.","Chemical communications (Cambridge, England)","2025","61","57","10606","10609","10.1039/d5cc02129d","","","0.71073","MoKα","","0.0298","0.0272","","","0.0693","0.0706","","","","","","1.034","","","","has coordinates","301495","2025-08-05","20:50:20",""
"7134682","11.3054","0.0002","8.7072","0.0001","15.9931","0.0002","90","","101.726","0.001","90","","1541.48","0.04","100","0.14","100","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl N5 Pt S -","- C14 H14 Cl N5 Pt S -","- C56 H56 Cl4 N20 Pt4 S4 -","4","1","","Sheernaly, Nandan; Steinbrueck, Axel; Ochs, Jasmine; Peeters, Frank; Fiedler, Ronja; Narberhaus, Franz; Heinen-Weiler, Jacqueline; Metzler-Nolte, Nils","Design and application of a non-toxic platinum derivative of the metal chelator Dp44mT for use as a long-term stable lysosome tracker","Chemical Communications","2025","61","54","9964","9967","10.1039/D5CC01596K","","x-ray","1.54184","CuKα","","0.0282","0.0267","","","0.0725","0.074","","","","","","1.0439","","","","has coordinates","300522","2025-07-06","13:33:08",""
"7134683","9.6772","0.0004","10.2693","0.0004","24.1618","0.0009","90","","90","","90","","2401.15","0.16","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 O3 Si -","- C25 H42 O3 Si -","- C100 H168 O12 Si4 -","4","1","","Chen, Louxi; Zhang, Chao-Han; Liu, Junyang; Li, Chuang-Chuang","Asymmetric synthesis of venezuelaene's core with a <i>trans</i>-fused [5-5] ring system.","Chemical communications (Cambridge, England)","2025","61","58","10823","10826","10.1039/d5cc02504d","","x-ray","1.54178","CuKα","","0.0296","0.0287","","","0.0721","0.0728","","","","","","1.046","","","","has coordinates","301482","2025-08-05","20:41:24",""
"7134684","11.0269","0.001","11.0409","0.001","12.3804","0.0011","75.509","0.003","65.961","0.003","67.425","0.003","1263.2","0.2","100","0.2","100","0.2","","","","","","","","4","P 1","P 1","1","","","","- C26 H44 O3 Si -","- C26 H44 O3 Si -","- C52 H88 O6 Si2 -","2","2","","Chen, Louxi; Zhang, Chao-Han; Liu, Junyang; Li, Chuang-Chuang","Asymmetric synthesis of venezuelaene's core with a <i>trans</i>-fused [5-5] ring system.","Chemical communications (Cambridge, England)","2025","61","58","10823","10826","10.1039/d5cc02504d","","x-ray","1.34139","GaKα","","0.0399","0.039","","","0.1014","0.1021","","","","","","1.024","","","","has coordinates","301482","2025-08-05","20:41:25",""
"7134685","8.4189","0.0001","21.0396","0.0003","12.3265","0.0002","90","","92.698","0.001","90","","2180.98","0.05","297.68","0.1","297.68","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H55 B2 F -","- C54 H55 B2 F -","- C108 H110 B4 F2 -","2","0.5","","Wang, Zhen; Yang, Yuxuan; Fang, Luohan; Xie, Yangbin; Ma, Wenming; Zhang, Yahui; Sun, Chun-Lin; Zhang, Baoxin; Zhang, Xiaoxiang; Pan, Xiaobo","Efficient UV-matchable light-converting agent based on a space-conjugated di-triarylboron structure.","Chemical communications (Cambridge, England)","2025","61","60","11255","11258","10.1039/d5cc02044a","","x-ray","1.54184","CuKα","","0.0577","0.0519","","","0.1575","0.1636","","","","","","1.09","","","","has coordinates,has disorder","301506","2025-08-05","20:55:39",""
"7134686","8.5609","0.0004","12.651","0.0006","13.4008","0.0007","64.065","0.005","78.326","0.004","88.076","0.004","1275.71","0.12","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H56 B2 Cl6 F2 -","- C56 H56 B2 Cl6 F2 -","- C56 H56 B2 Cl6 F2 -","1","0.5","","Wang, Zhen; Yang, Yuxuan; Fang, Luohan; Xie, Yangbin; Ma, Wenming; Zhang, Yahui; Sun, Chun-Lin; Zhang, Baoxin; Zhang, Xiaoxiang; Pan, Xiaobo","Efficient UV-matchable light-converting agent based on a space-conjugated di-triarylboron structure.","Chemical communications (Cambridge, England)","2025","61","60","11255","11258","10.1039/d5cc02044a","","x-ray","0.71073","MoKα","","0.1337","0.1046","","","0.3064","0.335","","","","","","1.246","","","","has coordinates,has disorder","301506","2025-08-05","20:55:40",""
"7134687","8.8671","0.0004","9.2255","0.0008","14.6132","0.0009","73.047","0.006","76.892","0.005","77.113","0.006","1097.76","0.13","303.15","0.1","303.15","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H52 B2 F4 -","- C54 H52 B2 F4 -","- C54 H52 B2 F4 -","1","0.5","","Wang, Zhen; Yang, Yuxuan; Fang, Luohan; Xie, Yangbin; Ma, Wenming; Zhang, Yahui; Sun, Chun-Lin; Zhang, Baoxin; Zhang, Xiaoxiang; Pan, Xiaobo","Efficient UV-matchable light-converting agent based on a space-conjugated di-triarylboron structure.","Chemical communications (Cambridge, England)","2025","61","60","11255","11258","10.1039/d5cc02044a","","x-ray","0.71073","MoKα","","0.0692","0.0496","","","0.1432","0.1546","","","","","","1.085","","","","has coordinates","301506","2025-08-05","20:55:40",""
"7134688","11.294","0.0001","22.7558","0.0002","9.1549","0.0001","90","","92.8389","0.0008","90","","2349.96","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 F2 N2 S2 -","- C28 H22 F2 N2 S2 -","- C112 H88 F8 N8 S8 -","4","1","","Fukata, Oka; Kitagawa, Daichi; Mutoh, Katsuya; Kobatake, Seiya","Twisting of aryl groups affects thermal back reactivity of diarylbenzene photoswitches.","Chemical communications (Cambridge, England)","2025","61","59","11057","11060","10.1039/d5cc02172c","","","1.54184","CuKα","","0.0319","0.0297","","","0.0763","0.0777","","","","","","1.062","","","","has coordinates","301512","2025-08-05","20:59:01",""
"7134689","19.0612","0.0003","12.1912","0.0001","13.5755","0.0002","90","","121.113","0.002","90","","2700.86","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 F2 N2 S2 -","- C32 H30 F2 N2 S2 -","- C128 H120 F8 N8 S8 -","4","0.5","","Fukata, Oka; Kitagawa, Daichi; Mutoh, Katsuya; Kobatake, Seiya","Twisting of aryl groups affects thermal back reactivity of diarylbenzene photoswitches.","Chemical communications (Cambridge, England)","2025","61","59","11057","11060","10.1039/d5cc02172c","","","1.54184","CuKα","","0.0334","0.0318","","","0.0808","0.082","","","","","","1.04","","","","has coordinates","301512","2025-08-05","20:59:01",""
"7134690","14.523","0.0001","10.6398","0.0001","19.0421","0.0002","90","","91.6399","0.0008","90","","2941.21","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 F2 N2 S2 -","- C34 H34 F2 N2 S2 -","- C136 H136 F8 N8 S8 -","4","1","","Fukata, Oka; Kitagawa, Daichi; Mutoh, Katsuya; Kobatake, Seiya","Twisting of aryl groups affects thermal back reactivity of diarylbenzene photoswitches.","Chemical communications (Cambridge, England)","2025","61","59","11057","11060","10.1039/d5cc02172c","","","1.54184","CuKα","","0.0416","0.039","","","0.0969","0.0984","","","","","","1.05","","","","has coordinates","301512","2025-08-05","20:59:01",""
"7134691","19.4157","0.0005","10.9681","0.0001","13.8257","0.0003","90","","121.068","0.003","90","","2521.9","0.12","100","0.1","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 F2 N2 S2 -","- C30 H26 F2 N2 S2 -","- C120 H104 F8 N8 S8 -","4","0.5","","Fukata, Oka; Kitagawa, Daichi; Mutoh, Katsuya; Kobatake, Seiya","Twisting of aryl groups affects thermal back reactivity of diarylbenzene photoswitches.","Chemical communications (Cambridge, England)","2025","61","59","11057","11060","10.1039/d5cc02172c","","","1.54184","CuKα","","0.0327","0.0314","","","0.0787","0.0796","","","","","","1.069","","","","has coordinates","301512","2025-08-05","20:59:01",""
"7134692","21.4133","0.0003","13.7635","0.0002","8.963","0.0001","90","","90","","90","","2641.59","0.06","100","0.1","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H26 F2 N2 S2 -","- C30 H26 F2 N2 S2 -","- C120 H104 F8 N8 S8 -","4","0.5","","Fukata, Oka; Kitagawa, Daichi; Mutoh, Katsuya; Kobatake, Seiya","Twisting of aryl groups affects thermal back reactivity of diarylbenzene photoswitches.","Chemical communications (Cambridge, England)","2025","61","59","11057","11060","10.1039/d5cc02172c","","","1.54184","CuKα","","0.0369","0.0344","","","0.0942","0.0965","","","","","","1.062","","","","has coordinates","301512","2025-08-05","20:59:01",""
"7134693","11.6733","0.0003","13.4099","0.0003","13.521","0.0003","76.6459","0.0018","74.539","0.0019","85.3589","0.0019","1984.37","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H54 F2 N2 S2 -","- C44 H54 F2 N2 S2 -","- C88 H108 F4 N4 S4 -","2","1","","Fukata, Oka; Kitagawa, Daichi; Mutoh, Katsuya; Kobatake, Seiya","Twisting of aryl groups affects thermal back reactivity of diarylbenzene photoswitches.","Chemical communications (Cambridge, England)","2025","61","59","11057","11060","10.1039/d5cc02172c","","","1.54184","CuKα","","0.035","0.0322","","","0.0829","0.0847","","","","","","1.064","","","","has coordinates","301512","2025-08-05","20:59:01",""
"7134694","6.99957","0.00005","18.62104","0.00013","12.07918","0.00008","90","","90.6114","0.0006","90","","1574.3","0.019","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 O2 Si -","- C15 H20 N2 O2 Si -","- C60 H80 N8 O8 Si4 -","4","1","","Sosnin, Daniil; Aprahamian, Ivan","Alkyne hydrazones for Raman scattering spectroscopy","Chemical Communications","2025","61","55","10119","10121","10.1039/D5CC02471D","","x-ray","1.54184","CuKα","","0.0337","0.0329","","","0.0874","0.0881","","","","","","1.032","","","","has coordinates","300399","2025-07-06","12:44:30",""
"7134695","13.24004","0.00011","11.03585","0.00011","20.65862","0.00017","90","","91.2541","0.0007","90","","3017.81","0.05","99.99","0.1","99.99","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C144 H128 N16 O16 -","8","1","","Sosnin, Daniil; Aprahamian, Ivan","Alkyne hydrazones for Raman scattering spectroscopy","Chemical Communications","2025","61","55","10119","10121","10.1039/D5CC02471D","","x-ray","1.54184","CuKα","","0.0389","0.0359","","","0.0984","0.101","","","","","","1.076","","","","has coordinates","300399","2025-07-06","12:44:30",""
"7134696","12.27152","0.00018","12.39856","0.00018","12.5695","0.0002","90.248","0.0013","91.2744","0.0013","109.745","0.0013","1799.41","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","2","","Sosnin, Daniil; Aprahamian, Ivan","Alkyne hydrazones for Raman scattering spectroscopy","Chemical Communications","2025","61","55","10119","10121","10.1039/D5CC02471D","","x-ray","1.54184","CuKα","","0.041","0.0383","","","0.1053","0.1076","","","","","","1.075","","","","has coordinates","300399","2025-07-06","12:44:30",""
"7134697","19.7442","0.0003","6.9809","0.0001","11.8207","0.0002","90","","93.323","0.001","90","","1626.53","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O4 -","- C18 H15 N3 O4 -","- C72 H60 N12 O16 -","4","1","","Sosnin, Daniil; Aprahamian, Ivan","Alkyne hydrazones for Raman scattering spectroscopy","Chemical Communications","2025","61","55","10119","10121","10.1039/D5CC02471D","","x-ray","1.54184","CuKα","","0.0439","0.0394","","","0.1089","0.1136","","","","","","1.053","","","","has coordinates","300399","2025-07-06","12:44:30",""
"7134698","15.2895","0.0001","10.2141","0.0001","10.8354","0.0001","90","","93.648","0.001","90","","1688.72","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N3 O4 Si -","- C15 H19 N3 O4 Si -","- C60 H76 N12 O16 Si4 -","4","1","","Sosnin, Daniil; Aprahamian, Ivan","Alkyne hydrazones for Raman scattering spectroscopy","Chemical Communications","2025","61","55","10119","10121","10.1039/D5CC02471D","","x-ray","1.54184","CuKα","","0.0376","0.0355","","","0.0958","0.098","","","","","","1.056","","","","has coordinates","300399","2025-07-06","12:44:30",""
"7134699","12.63828","0.00009","12.14363","0.00011","24.6829","0.0002","90","","90.3855","0.0008","90","","3788.11","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C160 H160 N32 O32 -","8","1","","Sosnin, Daniil; Aprahamian, Ivan","Alkyne hydrazones for Raman scattering spectroscopy","Chemical Communications","2025","61","55","10119","10121","10.1039/D5CC02471D","","x-ray","1.54184","CuKα","","0.0369","0.0345","","","0.0938","0.0959","","","","","","1.057","","","","has coordinates","300399","2025-07-06","12:44:30",""
"7134700","10.8676","0.0002","11.428","0.0002","41.042","0.0007","90","","90","","90","","5097.21","0.16","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H15 N O -","- C16 H15 N O -","- C256 H240 N16 O16 -","16","2","","Li, Wenguang; Yu, Yongqi; Sheng, Heyun; Cao, Man; Chen, Ming; Gao, Wenchao; Zhang, Xu; Su, Fengyun; Li, Ting","Synthesis of cyclopropanes <i>via</i> palladium-catalyzed [2+1] annulations of sulfoxonium ylides and norbornenes.","Chemical communications (Cambridge, England)","2025","61","58","10835","10838","10.1039/d5cc02783g","","","1.54184","CuKα","","0.0587","0.0512","","","0.1427","0.1504","","","","","","1.04","","","","has coordinates","301478","2025-08-05","20:40:00",""
"7134701","10.1687","0.0004","11.9584","0.0005","25.02","0.0009","91.179","0.001","95.315","0.002","90.783","0.002","3028.4","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H40 O18 Th3 -","- C70 H42 O18 Th3 -","- C140 H84 O36 Th6 -","2","1","","Yang, Junpu; Bai, Yaoyao; Zhang, Guangtao; Ma, Jingqi; Lin, Jian","From separation to photothermal conversion: selective crystallization of thorium from lanthanides.","Chemical communications (Cambridge, England)","2025","61","58","10776","10779","10.1039/d5cc02557e","","","0.71073","MoKα","","0.0251","0.0223","","","0.0561","0.0573","","","","","","1.025","","","","has coordinates,has disorder","301481","2025-08-05","20:41:02",""
"7134702","7.2977","0.0002","13.0084","0.0004","13.3204","0.0004","63.202","0.003","85.744","0.002","78.104","0.002","1104.22","0.06","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 N3 O2 -","- C13 H9 N3 O2 -","- C52 H36 N12 O8 -","4","2","","Ishu, Km; Singh, Krishna Nand","Copper(II)-mediated metalloradical activation: denitrogenative/decarboxylative annulation to 3-arylimidazo[1,2-<i>a</i>]pyridines using tetrazolo[1,5-<i>a</i>]pyridines and cinnamic acids.","Chemical communications (Cambridge, England)","2025","61","58","10847","10850","10.1039/d5cc01153a","","x-ray","1.54184","CuKα","","0.079","0.0698","","","0.2001","0.2107","","","","","","1.064","","","","has coordinates","301484","2025-08-05","20:41:51",""
"7134703","19.4235","0.0002","21.7382","0.0002","31.1018","0.0003","90","","90","","90","","13132.2","0.2","100","0.1","100","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C101 H191.49 Cr7 F8 N2 Ni O33.24 -","- C101 H191.48 Cr7 F8 N2 Ni O33.24 -","- C404 H765.92 Cr28 F32 N8 Ni4 O132.96 -","4","1","","Geue, Niklas; Renningholtz, Tim; Whitehead, George F. S.; Timco, Grigore A.; Trujillo, Cristina; Barran, Perdita E.; Winpenny, Richard E. P.","Energetics of carboxylate-metal bonds in polymetallic rings.","Chemical communications (Cambridge, England)","2025","61","59","11049","11052","10.1039/d5cc01911g","","x-ray","1.54184","CuKα","","0.0664","0.0584","","","0.1614","0.169","","","","","","1.012","","","","has coordinates,has disorder","301511","2025-08-05","20:58:36",""
"7134704","24.0332","0.0004","24.0911","0.0005","23.763","0.0006","90","","94.616","0.002","90","","13713.8","0.5","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C134 H128 Cr7 F8 N Ni O32 -","- C134 H128 Cr7 F8 N Ni O32 -","- C536 H512 Cr28 F32 N4 Ni4 O128 -","4","0.5","","Geue, Niklas; Renningholtz, Tim; Whitehead, George F. S.; Timco, Grigore A.; Trujillo, Cristina; Barran, Perdita E.; Winpenny, Richard E. P.","Energetics of carboxylate-metal bonds in polymetallic rings.","Chemical communications (Cambridge, England)","2025","61","59","11049","11052","10.1039/d5cc01911g","","x-ray","0.6889","synchrotron","","0.0844","0.0694","","","0.2195","0.234","","","","","","1.04","","","","has coordinates,has disorder","301511","2025-08-05","20:58:37",""
"7134705","26.8743","0.0008","27.944","0.0006","16.9778","0.0005","90","","90","","90","","12749.9","0.6","99.95","0.1","99.95","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C102 H88 Cr7 F8 N9 Ni O48 -","- C90 H69.819 Cr7 F8 N3 Ni O48 -","- C360 H279.276 Cr28 F32 N12 Ni4 O192 -","4","0.5","","Geue, Niklas; Renningholtz, Tim; Whitehead, George F. S.; Timco, Grigore A.; Trujillo, Cristina; Barran, Perdita E.; Winpenny, Richard E. P.","Energetics of carboxylate-metal bonds in polymetallic rings.","Chemical communications (Cambridge, England)","2025","61","59","11049","11052","10.1039/d5cc01911g","","x-ray","0.71073","MoKα","","0.0781","0.0529","","","0.143","0.1595","","","","","","1.011","","","","has coordinates,has disorder","301511","2025-08-05","20:58:37",""
"7134706","31.9625","0.0007","17.1553","0.0005","16.9723","0.0004","90","","90","","90","","9306.4","0.4","150","0.1","150","0.1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C206 H176 Cr7 F8 N Ni O40 -","- C188 H140 Cr7 F8 N Ni O34 -","- C376 H280 Cr14 F16 N2 Ni2 O68 -","2","0.5","","Geue, Niklas; Renningholtz, Tim; Whitehead, George F. S.; Timco, Grigore A.; Trujillo, Cristina; Barran, Perdita E.; Winpenny, Richard E. P.","Energetics of carboxylate-metal bonds in polymetallic rings.","Chemical communications (Cambridge, England)","2025","61","59","11049","11052","10.1039/d5cc01911g","","x-ray","1.54184","CuKα","","0.0924","0.0679","","","0.1793","0.2","","","","","","1.04","","","","has coordinates,has disorder","301511","2025-08-05","20:58:37",""
"7134707","26.7607","0.0009","26.7607","0.0009","40.561","0.003","90","","90","","90","","29047","3","150","0.1","150","0.1","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C251 H343.5 Cr7 F8 N19.5 Ni O80 -","- C214 H288 Cr7 F8 N Ni O80 -","- C856 H1152 Cr28 F32 N4 Ni4 O320 -","4","0.25","","Geue, Niklas; Renningholtz, Tim; Whitehead, George F. S.; Timco, Grigore A.; Trujillo, Cristina; Barran, Perdita E.; Winpenny, Richard E. P.","Energetics of carboxylate-metal bonds in polymetallic rings.","Chemical communications (Cambridge, England)","2025","61","59","11049","11052","10.1039/d5cc01911g","","x-ray","1.54184","CuKα","","0.1347","0.0884","","","0.2616","0.2997","","","","","","1.039","","","","has coordinates,has disorder","301511","2025-08-05","20:58:37",""
"7134708","19.1697","0.0005","29.3283","0.0008","20.8382","0.0007","90","","104.138","0.003","90","","11360.7","0.6","99.9","0.4","99.9","0.4","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C86 H160 Cr7 F8 N Ni O32 -","- C86 H156 Cr7 F8 N Ni O32 -","- C344 H624 Cr28 F32 N4 Ni4 O128 -","4","1","","Geue, Niklas; Renningholtz, Tim; Whitehead, George F. S.; Timco, Grigore A.; Trujillo, Cristina; Barran, Perdita E.; Winpenny, Richard E. P.","Energetics of carboxylate-metal bonds in polymetallic rings.","Chemical communications (Cambridge, England)","2025","61","59","11049","11052","10.1039/d5cc01911g","","x-ray","1.54184","CuKα","","0.1629","0.0902","","","0.2708","0.3357","","","","","","1.058","","","","has coordinates,has disorder","301511","2025-08-05","20:58:37",""
"7134709","19.0912","0.0004","22.0288","0.0004","30.5452","0.0005","90.1198","0.0015","90.1205","0.0015","106.277","0.0017","12331","0.4","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C102 H188 Cr7 F8 N Ni O32 -","- C102 H188 Cr7 F8 N Ni O32 -","- C408 H752 Cr28 F32 N4 Ni4 O128 -","4","2","","Geue, Niklas; Renningholtz, Tim; Whitehead, George F. S.; Timco, Grigore A.; Trujillo, Cristina; Barran, Perdita E.; Winpenny, Richard E. P.","Energetics of carboxylate-metal bonds in polymetallic rings.","Chemical communications (Cambridge, England)","2025","61","59","11049","11052","10.1039/d5cc01911g","","x-ray","0.6889","synchrotron","","0.1679","0.1397","","","0.3853","0.4002","","","","","","1.036","","","","has coordinates,has disorder","301511","2025-08-05","20:58:37",""
"7134710","13.938","0.003","16.892","0.004","18.001","0.004","77.27","0.004","68.987","0.004","75.532","0.004","3790.6","1.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C73 H90 N4 O18 S2 -","- C73 H90 N4 O18 S2 -","- C146 H180 N8 O36 S4 -","2","1","","Zhang, Ting; Wang, Lulu; Li, Hui; Sun, Mingxia; Chen, Jia; Guan, Shuzhe; Qiu, Hongdeng","Pillar[5]arene-based ionic single crystals formed by dual self-assemblies through host-guest and ionic interactions for iodine capture.","Chemical communications (Cambridge, England)","2025","61","58","10843","10846","10.1039/d5cc02200b","","","0.71073","MoKα","","0.1828","0.0844","","","0.2298","0.2962","","","","","","0.942","","","","has coordinates","301479","2025-08-05","20:40:13",""
"7134711","18.91","0.004","21.16","0.004","14.44","0.003","90","0.03","90","0.03","90","0.03","5778","2","77","2","77","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C64 H54 Cu4 N2 O4 P4 S2 -","- C64 H54 Cu4 N2 O4 P4 S2 -","- C256 H216 Cu16 N8 O16 P16 S8 -","4","1","","Nagar, Harshita; Duary, Subrata; Yadav, Vivek; Kini, Amoghavarsha Ramachandra; Antharjanam, Sudhadevi; Base, Tomas; Som, Anirban; Nannenga, Brent L.; Pradeep, Thalappil","Mechanochromic luminescence in copper nanoclusters: resolving structural transitions through microcrystal electron diffraction.","Chemical communications (Cambridge, England)","2025","61","58","10764","10767","10.1039/d5cc02594j","","","0.0197","300KeVelectron","","0.1587","0.1372","","","0.3296","0.3492","","","","","","0.866","","","","has coordinates","301480","2025-08-05","20:40:36",""
"7134712","12.25","0.002","13.32","0.003","16.05","0.003","97.18","0.03","110.76","0.03","99.99","0.03","2361.8","1","77","2","77","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H52 B40 Cu4 S4 -","- C15 H52 B40 Cu4 S4 -","- C30 H104 B80 Cu8 S8 -","2","1","","Nagar, Harshita; Duary, Subrata; Yadav, Vivek; Kini, Amoghavarsha Ramachandra; Antharjanam, Sudhadevi; Base, Tomas; Som, Anirban; Nannenga, Brent L.; Pradeep, Thalappil","Mechanochromic luminescence in copper nanoclusters: resolving structural transitions through microcrystal electron diffraction.","Chemical communications (Cambridge, England)","2025","61","58","10764","10767","10.1039/d5cc02594j","","","0.0197","300KeVELECTRONS","","0.2457","0.172","","","0.4196","0.459","","","","","","1.522","","","","has coordinates,has disorder","301480","2025-08-05","20:40:45",""
"7134713","11.3","0.002","11.3","0.002","29.05","0.006","90","0.03","90","0.03","120","0.03","3212.4","1.4","77","2","77","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C8 H44 B40 Cu4 S4 -","- C8 H44 B40 Cu4 S4 -","- C24 H132 B120 Cu12 S12 -","3","0.5","","Nagar, Harshita; Duary, Subrata; Yadav, Vivek; Kini, Amoghavarsha Ramachandra; Antharjanam, Sudhadevi; Base, Tomas; Som, Anirban; Nannenga, Brent L.; Pradeep, Thalappil","Mechanochromic luminescence in copper nanoclusters: resolving structural transitions through microcrystal electron diffraction.","Chemical communications (Cambridge, England)","2025","61","58","10764","10767","10.1039/d5cc02594j","","","0.0197","300KeVelectron","","0.1751","0.1271","","","0.3295","0.3598","","","","","","1.142","","","","has coordinates","301480","2025-08-05","20:40:46",""
"7134714","11.31","0.002","11.31","0.002","29.08","0.006","90","0.03","90","0.03","120","0.03","3221.4","1.4","77","2","77","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C8 H44 B40 Cu4 S4 -","- C8 H44 B40 Cu4 S4 -","- C24 H132 B120 Cu12 S12 -","3","0.5","","Nagar, Harshita; Duary, Subrata; Yadav, Vivek; Kini, Amoghavarsha Ramachandra; Antharjanam, Sudhadevi; Base, Tomas; Som, Anirban; Nannenga, Brent L.; Pradeep, Thalappil","Mechanochromic luminescence in copper nanoclusters: resolving structural transitions through microcrystal electron diffraction.","Chemical communications (Cambridge, England)","2025","61","58","10764","10767","10.1039/d5cc02594j","","","0.0197","300KeVelectron","","0.189","0.1278","","","0.3409","0.378","","","","","","1.07","","","","has coordinates","301480","2025-08-05","20:40:46",""
"7134715","24.5086","0.0019","6.6842","0.0005","6.5526","0.0005","90","","90","","90","","1073.45","0.14","150","2","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C3 H3 Ga I3 N O2 -","- C3 H3 Ga I3 N O2 -","- C12 H12 Ga4 I12 N4 O8 -","4","1","","He, Zhou; Ju, Shaoying; Chen, Ting; Zhang, Xinghua; Stephan, Douglas W.; Wu, Yile","Group 13 Lewis acid-mediated formation of 5-oxazolone derivatives from <i>tert</i>-butyl isocyanoacetate.","Chemical communications (Cambridge, England)","2025","61","57","10582","10585","10.1039/d5cc02623g","","","1.54178","CuKα","","0.0431","0.0428","","","0.1098","0.1101","","","","","","1.095","","","","has coordinates","301493","2025-08-05","20:49:21",""
"7134716","8.2731","0.0004","11.0036","0.0006","17.2172","0.0009","104.905","0.002","90.308","0.002","94.684","0.002","1508.99","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 I6 In2 N2 O4 -","- C14 H22 I6 In2 N2 O4 -","- C28 H44 I12 In4 N4 O8 -","2","1","","He, Zhou; Ju, Shaoying; Chen, Ting; Zhang, Xinghua; Stephan, Douglas W.; Wu, Yile","Group 13 Lewis acid-mediated formation of 5-oxazolone derivatives from <i>tert</i>-butyl isocyanoacetate.","Chemical communications (Cambridge, England)","2025","61","57","10582","10585","10.1039/d5cc02623g","","","1.54178","CuKα","","0.0548","0.0377","","","0.0948","0.1086","","","","","","1.063","","","","has coordinates","301493","2025-08-05","20:49:22",""
"7134717","43.189","0.004","6.5024","0.0006","30.529","0.003","90","","134.875","0.01","90","","6075.6","1.4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 Cl9 Ga3 N3 O6 -","- C16 H17 Cl9 Ga3 N3 O6 -","- C128 H136 Cl72 Ga24 N24 O48 -","8","1","","He, Zhou; Ju, Shaoying; Chen, Ting; Zhang, Xinghua; Stephan, Douglas W.; Wu, Yile","Group 13 Lewis acid-mediated formation of 5-oxazolone derivatives from <i>tert</i>-butyl isocyanoacetate.","Chemical communications (Cambridge, England)","2025","61","57","10582","10585","10.1039/d5cc02623g","","","1.54178","CuKα","","0.0686","0.0622","","","0.1624","0.1661","","","","","","1.122","","","","has coordinates,has disorder","301493","2025-08-05","20:49:22",""
"7134718","15.7995","0.0008","9.9144","0.0005","19.6671","0.001","90","","111.532","0.003","90","","2865.7","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H11 B F15 N O2 -","- C25 H11 B F15 N O2 -","- C100 H44 B4 F60 N4 O8 -","4","1","","He, Zhou; Ju, Shaoying; Chen, Ting; Zhang, Xinghua; Stephan, Douglas W.; Wu, Yile","Group 13 Lewis acid-mediated formation of 5-oxazolone derivatives from <i>tert</i>-butyl isocyanoacetate.","Chemical communications (Cambridge, England)","2025","61","57","10582","10585","10.1039/d5cc02623g","","","1.54178","CuKα","","0.1001","0.0497","","","0.1247","0.1477","","","","","","0.993","","","","has coordinates","301493","2025-08-05","20:49:22",""
"7134719","8.0413","0.0004","20.3742","0.001","8.1155","0.0004","90","","100.43","0.002","90","","1307.63","0.11","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Br3 In N O2 -","- C7 H11 Br3 In N O2 -","- C28 H44 Br12 In4 N4 O8 -","4","1","","He, Zhou; Ju, Shaoying; Chen, Ting; Zhang, Xinghua; Stephan, Douglas W.; Wu, Yile","Group 13 Lewis acid-mediated formation of 5-oxazolone derivatives from <i>tert</i>-butyl isocyanoacetate.","Chemical communications (Cambridge, England)","2025","61","57","10582","10585","10.1039/d5cc02623g","","","1.54178","CuKα","","0.036","0.0348","","","0.0931","0.0942","","","","","","1.0169","","","","has coordinates","301493","2025-08-05","20:49:22",""
"7134720","24.5252","0.0019","7.1491","0.0005","30.553","0.002","90","","106.418","0.008","90","","5138.5","0.7","294.8","0.6","294.8","0.6","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C26.88 H27.38 N1.62 O7.62 -","- C25 H23 N O7 -","- C200 H184 N8 O56 -","8","1","","Wang, Xiaokang; Liu, Hongyan; Sun, Meng; Gao, Fei; Feng, Xueying; Xu, Mingming; Fan, Weidong; Sun, Daofeng","Steric hindrance regulation in hydrogen-bonded organic frameworks: from nonporous to microporous.","Chemical communications (Cambridge, England)","2025","61","57","10538","10541","10.1039/d5cc02617b","","x-ray","1.54184","CuKα","","0.1436","0.1324","","","0.4163","0.4338","","","","","","1.816","","","","has coordinates,has disorder","301498","2025-08-05","20:51:54",""
"7134721","12.0307","0.0003","22.7887","0.0005","8.6147","0.0002","90","","100.092","0.003","90","","2325.3","0.1","294","0.5","294","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O8 -","- C25 H23 N O8 -","- C100 H92 N4 O32 -","4","1","","Wang, Xiaokang; Liu, Hongyan; Sun, Meng; Gao, Fei; Feng, Xueying; Xu, Mingming; Fan, Weidong; Sun, Daofeng","Steric hindrance regulation in hydrogen-bonded organic frameworks: from nonporous to microporous.","Chemical communications (Cambridge, England)","2025","61","57","10538","10541","10.1039/d5cc02617b","","x-ray","1.54184","CuKα","","0.0665","0.0465","","","0.1207","0.1364","","","","","","1.022","","","","has coordinates","301498","2025-08-05","20:51:55",""
"7134722","11.901","0.002","8.437","0.0015","23.343","0.005","90","","95.41","0.02","90","","2333.4","0.8","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N5 -","- C28 H23 N5 -","- C112 H92 N20 -","4","1","","Kumari, Akanksha; Jain, Anshul; Sharma, Himani; Sermadurai, Selvakumar; Rana, Nirmal K.","Catalyst-free efficient synthesis of functionalized 1,2,4-triazole <i>via</i> ring opening/cyclization of arylidene thiazolone with aryl/alkyl-hydrazine.","Chemical communications (Cambridge, England)","2025","61","59","11029","11032","10.1039/d5cc02145f","","x-ray","0.71073","MoKα","","0.0953","0.0617","","","0.1629","0.1892","","","","","","1.0593","","","","has coordinates","301510","2025-08-05","20:56:54",""
"7134723","9.6415","0.0008","10.1608","0.0009","24.945","0.002","90","","95.477","0.003","90","","2432.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 F3 N2 O7 S -","- C21 H27 F3 N2 O7 S -","- C84 H108 F12 N8 O28 S4 -","4","1","","Liu, Shuai; Ge, Yongqi; Li, Jianan; Sheng, Xiaoyu; Zhang, Tian-Shu; Wu, Qiong; Ding, Weijie; Cheng, Xu","Electrochemical site-selective C(sp<sup>3</sup>)-H amination of alkyl substituted indoles and pyrroles.","Chemical communications (Cambridge, England)","2025","61","59","11045","11048","10.1039/d5cc02009c","","","0.71073","MoKα","","0.1232","0.0751","","","0.1967","0.22","","","","","","1.087","","","","has coordinates,has disorder","301517","2025-08-05","21:01:37",""
"7134724","10.3749","0.0002","8.4178","0.0001","11.3443","0.0002","90","","100.01","0.002","90","","975.66","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 Br O3 -","- C21 H27 Br O3 -","- C42 H54 Br2 O6 -","2","1","","Roy, Nanda Kishore; Murmu, Ranjit; Munda, Mintu; Niyogi, Sovan; Bisai, Alakesh","Asymmetric total syntheses of immunosuppressive diterpenoids triptobenzenes N and R <i>via</i> a remote Csp<sup>3</sup>-H functionalization.","Chemical communications (Cambridge, England)","2025","61","59","11053","11056","10.1039/d5cc02354h","","x-ray","1.54184","CuKα","","0.0385","0.0374","","","0.0989","0.1001","","","","","","1.075","","","","has coordinates","301515","2025-08-05","21:00:40",""
"7134725","8.3186","0.0008","10.0507","0.0008","10.7125","0.0011","90","","99.133","0.003","90","","884.29","0.14","293.15","","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C42 H52 O6 -","2","1","","Roy, Nanda Kishore; Murmu, Ranjit; Munda, Mintu; Niyogi, Sovan; Bisai, Alakesh","Asymmetric total syntheses of immunosuppressive diterpenoids triptobenzenes N and R <i>via</i> a remote Csp<sup>3</sup>-H functionalization.","Chemical communications (Cambridge, England)","2025","61","59","11053","11056","10.1039/d5cc02354h","","","0.71073","MoKα","","0.0251","0.025","","","0.0671","0.0672","","","","","","1.1118","","","","has coordinates","301515","2025-08-05","21:00:40",""
"7134726","11.8861","0.0004","15.3328","0.0005","19.6363","0.0003","91.069","0.002","94.535","0.002","103.539","0.003","3465.77","0.18","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C108 H84 Eu2 N2 O20 -","- C108 H84 Eu2 N2 O20 -","- C108 H84 Eu2 N2 O20 -","1","0.5","","Zhang, Jinli; Xi, Xiao-Juan; Xu, Lin; Lang, Feifan; Yang, Yan; Pang, Jiandong","Rare-earth-pentacene-octacarboxylate frameworks for highly efficient urinary 1-HP fluorescence sensing.","Chemical communications (Cambridge, England)","2025","61","60","11195","11198","10.1039/d5cc02537k","","x-ray","1.54184","CuKα","","0.1387","0.1121","","","0.303","0.3299","","","","","","1.238","","","","has coordinates","301505","2025-08-05","20:55:17",""
"7134727","12.0155","0.0003","15.2802","0.0002","19.6685","0.0003","91.682","0.001","94.913","0.002","102.427","0.002","3509.32","0.12","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C107 H81 Ce2 N2 O20 -","- C107 H81 Ce2 N2 O20 -","- C107 H81 Ce2 N2 O20 -","1","0.5","","Zhang, Jinli; Xi, Xiao-Juan; Xu, Lin; Lang, Feifan; Yang, Yan; Pang, Jiandong","Rare-earth-pentacene-octacarboxylate frameworks for highly efficient urinary 1-HP fluorescence sensing.","Chemical communications (Cambridge, England)","2025","61","60","11195","11198","10.1039/d5cc02537k","","x-ray","1.54184","CuKα","","0.0917","0.0873","","","0.2506","0.2558","","","","","","1.111","","","","has coordinates","301505","2025-08-05","20:55:18",""
"7134728","11.7036","0.0005","15.2043","0.0007","19.7918","0.0007","91.859","0.003","94.475","0.003","103.284","0.004","3412.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C105.1 H75.9 N2 O19.6 Tb2 -","- C105.1 H75.9 N2 O19.6 Tb2 -","- C105.1 H75.9 N2 O19.6 Tb2 -","1","0.5","","Zhang, Jinli; Xi, Xiao-Juan; Xu, Lin; Lang, Feifan; Yang, Yan; Pang, Jiandong","Rare-earth-pentacene-octacarboxylate frameworks for highly efficient urinary 1-HP fluorescence sensing.","Chemical communications (Cambridge, England)","2025","61","60","11195","11198","10.1039/d5cc02537k","","x-ray","1.54184","CuKα","","0.1023","0.0976","","","0.2644","0.2694","","","","","","1.056","","","","has coordinates","301505","2025-08-05","20:55:18",""
"7134729","9.4933","0.0003","9.7205","0.0002","9.7983","0.0002","89.993","0.002","77.842","0.002","70.533","0.002","830.96","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 F N O4 S -","- C17 H14 F N O4 S -","- C34 H28 F2 N2 O8 S2 -","2","1","","Zhang, Sen; Fayad, Eman; Katouah, Hanadi A.; Huang, Yi-Yong; Qin, Hua-Li","Oxidative [3+2] annulation of activated pyridines for the synthesis of indolizinyl sulfonyl fluorides: a class of important pharmacophores.","Chemical communications (Cambridge, England)","2025","61","57","10586","10589","10.1039/d5cc02186c","","x-ray","1.54184","CuKα","","0.0612","0.058","","","0.1574","0.1623","","","","","","1.11","","","","has coordinates,has disorder","301492","2025-08-05","20:47:39",""
"7134730","15.458","0.003","19.827","0.004","22.137","0.004","97.02","0.03","106.2","0.03","99.82","0.03","6316","3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C108 H108 Cl6 N24 Zn6 -","- C108 H108 Cl6 N24 Zn6 -","- C216 H216 Cl12 N48 Zn12 -","2","1","","Kim, Jisu; Jeong, Hye Jin; Min, Sein; Kim, Sarah; Baek, Juhee; Kim, Jaelim; Lee, Eunsung; Oh, Sangwon; Jeong, Keunhong","Parahydrogen-induced hyperpolarization of a Zn(II) complex using NMR signal amplification by reversible exchange (SABRE).","Chemical communications (Cambridge, England)","2025","61","59","11061","11064","10.1039/d5cc00544b","","","0.71073","MoKα","","0.0916","0.0614","","","0.1897","0.2047","","","","","","1.179","","","","has coordinates","301514","2025-08-05","20:59:57",""
"7134731","7.6519","0.0002","18.4389","0.0004","28.0176","0.0007","90","","95.393","0.002","90","","3935.58","0.17","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H102 B2 Cl2 N16 -","- C69 H101.994 B2 Cl2 N16 -","- C138 H203.988 B4 Cl4 N32 -","2","0.5","","Huerfano, I. J.; Gorobets, Evgueni; Zhou, Wen; Piers, Warren E.; Van Humbeck, Jeffrey F.; Derksen, Darren J.","Development of electronically tuneable N-heterocyclic borates.","Chemical communications (Cambridge, England)","2025","61","57","10610","10613","10.1039/d5cc01578b","","","1.54178","CuKα","","0.1131","0.0846","","","0.2261","0.2568","","","","","","1.117","","","","has coordinates,has disorder","301496","2025-08-05","20:51:02",""
"7134732","12.1405","0.0016","27.056","0.004","20.237","0.003","90","","95.591","0.008","90","","6615.7","1.6","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H109 B N5 P -","- C64 H109 B N5 P -","- C256 H436 B4 N20 P4 -","4","1","","Huerfano, I. J.; Gorobets, Evgueni; Zhou, Wen; Piers, Warren E.; Van Humbeck, Jeffrey F.; Derksen, Darren J.","Development of electronically tuneable N-heterocyclic borates.","Chemical communications (Cambridge, England)","2025","61","57","10610","10613","10.1039/d5cc01578b","","","1.54178","CuKα","","0.1214","0.1031","","","0.2582","0.2831","","","","","","1.005","","","","has coordinates,has disorder","301496","2025-08-05","20:51:03",""
"7134733","41.4755","0.0004","41.4755","0.0004","11.7891","0.0002","90","","90","","120","","17562.8","0.4","173.15","","173.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C218.75 H318 B6 Mg3 N48 O6 -","- C218.75 H317.998 B6 Mg3 N48 O6 -","- C656.251 H953.993 B18 Mg9 N144 O18 -","3","0.166667","","Huerfano, I. J.; Gorobets, Evgueni; Zhou, Wen; Piers, Warren E.; Van Humbeck, Jeffrey F.; Derksen, Darren J.","Development of electronically tuneable N-heterocyclic borates.","Chemical communications (Cambridge, England)","2025","61","57","10610","10613","10.1039/d5cc01578b","","","1.54178","CuKα","","0.0967","0.0759","","","0.2312","0.2603","","","","","","1.033","","","","has coordinates,has disorder","301496","2025-08-05","20:51:03",""
"7134734","14.1177","0.0009","18.5164","0.0013","20.8008","0.0014","90","","104.244","0.005","90","","5270.3","0.6","173.15","","173.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C104 H164 B3 Cl2 N8 -","- C104 H164.003 B3 Cl2 N8 -","- C208 H328.006 B6 Cl4 N16 -","2","1","","Huerfano, I. J.; Gorobets, Evgueni; Zhou, Wen; Piers, Warren E.; Van Humbeck, Jeffrey F.; Derksen, Darren J.","Development of electronically tuneable N-heterocyclic borates.","Chemical communications (Cambridge, England)","2025","61","57","10610","10613","10.1039/d5cc01578b","","","1.54178","CuKα","","0.1178","0.0907","","","0.2581","0.2905","","","","","","1.04","","","","has coordinates,has disorder","301496","2025-08-05","20:51:03",""
"7134735","18.7192","0.0011","19.3113","0.0013","25.7905","0.0017","89.531","0.002","89.166","0.002","85.539","0.002","9293.6","1","170","","170","","","","","","","","","9","P -1","-P 1","2","","","","- C160 H98 Ag10 Cl2 Cu4 F60 O15 P4 S12 -","- C156 H84 Ag10 Cu4 F60 O12 P4 S12 -","- C312 H168 Ag20 Cu8 F120 O24 P8 S24 -","2","1","","Ma, Along; Ren, Yonggang; Zuo, Yang; Zhao, Jiaqi; Zhang, Shuo; Ma, Xiaoshuang; Wang, Shuxin","Regulating Ag-Cu synergy effect <i>via</i> Cu doping numbers to boost CO<sub>2</sub> electroreduction on Ag<sub>14</sub> nanoclusters.","Chemical communications (Cambridge, England)","2025","61","58","10772","10775","10.1039/d5cc02587g","","","0.71073","MoKα","","0.0568","0.0389","","","0.111","0.1189","","","","","","1.112","","","","has coordinates,has disorder","301486","2025-08-05","20:43:22",""
"7134736","19.3202","0.0008","19.1149","0.0007","49.181","0.002","90","","95.395","0.001","90","","18082.3","1.2","170","","170","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C159.73 H96.91 Ag14 Cl2 F60 O14.73 P4 S12 -","- C156 H84 Ag14 F60 O12 P4 S12 -","- C624 H336 Ag56 F240 O48 P16 S48 -","4","1","","Ma, Along; Ren, Yonggang; Zuo, Yang; Zhao, Jiaqi; Zhang, Shuo; Ma, Xiaoshuang; Wang, Shuxin","Regulating Ag-Cu synergy effect <i>via</i> Cu doping numbers to boost CO<sub>2</sub> electroreduction on Ag<sub>14</sub> nanoclusters.","Chemical communications (Cambridge, England)","2025","61","58","10772","10775","10.1039/d5cc02587g","","","0.71073","MoKα","","0.0863","0.0695","","","0.1524","0.1566","","","","","","1.197","","","","has coordinates,has disorder","301486","2025-08-05","20:43:36",""
"7134737","18.7706","0.0007","19.9187","0.0009","25.5916","0.0012","89.783","0.002","88.666","0.001","87.693","0.001","9558","0.7","170","","170","","","","","","","","","9","P -1","-P 1","2","","","","- C165.5 H116 Ag12 Cl6 Cu2 F60 O18.5 P4 S12 -","- C156 H84 Ag11.999 Cu2.001 F60 O12 P4 S12 -","- C312 H168 Ag23.998 Cu4.002 F120 O24 P8 S24 -","2","1","","Ma, Along; Ren, Yonggang; Zuo, Yang; Zhao, Jiaqi; Zhang, Shuo; Ma, Xiaoshuang; Wang, Shuxin","Regulating Ag-Cu synergy effect <i>via</i> Cu doping numbers to boost CO<sub>2</sub> electroreduction on Ag<sub>14</sub> nanoclusters.","Chemical communications (Cambridge, England)","2025","61","58","10772","10775","10.1039/d5cc02587g","","","0.71073","MoKα","","0.0628","0.0419","","","0.1145","0.1242","","","","","","1.086","","","","has coordinates,has disorder","301486","2025-08-05","20:43:40",""
"7134738","6.0468","0.0005","13.3298","0.0011","19.6186","0.0018","90","","90","","90","","1581.3","0.2","198","","198","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Paul, Pratap; Dash, Jyotirmayee","Palladium-catalysed carbonylation of aryl diazonium salts to access bioconjugation-ready esters.","Chemical communications (Cambridge, England)","2025","61","59","10977","10980","10.1039/d5cc02739j","","x-ray","0.71073","MoKα","","0.0576","0.0492","","","0.108","0.1102","","","","","","1.078","","","","has coordinates","301516","2025-08-05","21:01:20",""
"7134739","11.6257","0.0006","22.2356","0.0013","46.905","0.003","90","","90","","90","","12125.1","1.2","100.15","","100.15","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","C1-Rh","","- C300 H224 Cl8 O8 P16 Rh8 -","- C300 H224 Cl8 O8 P16 Rh8 -","- C600 H448 Cl16 O16 P32 Rh16 -","2","0.0625","","Mandal, Dipendu; Esposito, Madison R.; Griffin, Samuel E.; Domecus, Grant P.; Cohen, Seth M.","Selective hydrosilylation of olefins by a two-dimensional Rh(I) low-valent metal-organic framework.","Chemical communications (Cambridge, England)","2025","61","57","10526","10529","10.1039/d5cc02201k","","x-ray","0.71073","MoKα","K-L~3~","0.0965","0.0722","","","0.1944","0.2129","","","","","","1.134","","","","has coordinates,has disorder","301497","2025-08-05","20:51:38",""
"7134740","11.573","0.002","22.229","0.004","46.579","0.01","90","","90","","90","","11983","4","100","","100","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C300 H224 Cl8 Ir8 O8 P16 -","- C300 H224 Cl8 Ir8 O8 P16 -","- C600 H448 Cl16 Ir16 O16 P32 -","2","0.0625","","Mandal, Dipendu; Esposito, Madison R.; Griffin, Samuel E.; Domecus, Grant P.; Cohen, Seth M.","Selective hydrosilylation of olefins by a two-dimensional Rh(I) low-valent metal-organic framework.","Chemical communications (Cambridge, England)","2025","61","57","10526","10529","10.1039/d5cc02201k","","x-ray","0.71073","MoKα","K-L~3~","0.0947","0.0645","","","0.1589","0.1761","","","","","","1.124","","","","has coordinates,has disorder","301497","2025-08-05","20:51:40",""
"7134741","12.1425","0.0007","10.9767","0.0006","24.5384","0.0013","90","","99.738","0.002","90","","3223.5","0.3","100","2","100","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","[Cp*Ru(DBU)(NCCH3)2][PF6]","","- C27 H47 F6 N4 O P Ru -","- C27 H47 F6 N4 O P Ru -","- C108 H188 F24 N16 O4 P4 Ru4 -","4","1","","Preston, Andrew Z.; Phearman, Alexander S.; Quiroz, Manuel; Flowers, Sarah E.; Devi, Nilakshi; Zall, Christopher M.; Wiedner, Eric S.; Appel, Aaron M.; Linehan, John C.","DBU as base and ligand in phosphine-free ruthenium complexes for hydrogenation of CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2025","61","60","11247","11250","10.1039/d5cc00512d","","x-ray","0.71073","MoKα","","0.0738","0.057","","","0.1237","0.1348","","","","","","1.191","","","","has coordinates,has disorder","301508","2025-08-05","20:56:15",""
"7134742","23.582","0.008","7.927","0.003","11.326","0.004","90","","90","","90","","2117.2","1.3","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H18 Fe N4 S2 -","- C24 H18 Fe N4 S2 -","- C96 H72 Fe4 N16 S8 -","4","1","","Yan, Rong; Li, Zi-Han; Luo, Qian-Cheng; Sun, Na-Na; Ho, Johnny C.; Zheng, Yan-Zhen","Nuclearity effect on water oxidation: a comparative study of dinuclear and mononuclear iron complexes.","Chemical communications (Cambridge, England)","2025","61","62","11601","11604","10.1039/d5cc02306h","","","0.71073","MoKα","","0.0219","0.0206","","","0.0506","0.0512","","","","","","1.041","","","","has coordinates","301503","2025-08-05","20:54:02",""
"7134743","9.0102","0.0007","11.9133","0.0009","25.039","0.002","84.209","0.003","86.646","0.003","85.619","0.003","2662.7","0.4","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H38 Cl2 Fe2 N8 O11 S4 -","- C50 H38 Cl2 Fe2 N8 O11 S4 -","- C100 H76 Cl4 Fe4 N16 O22 S8 -","2","1","","Yan, Rong; Li, Zi-Han; Luo, Qian-Cheng; Sun, Na-Na; Ho, Johnny C.; Zheng, Yan-Zhen","Nuclearity effect on water oxidation: a comparative study of dinuclear and mononuclear iron complexes.","Chemical communications (Cambridge, England)","2025","61","62","11601","11604","10.1039/d5cc02306h","","","0.71073","MoKα","","0.0651","0.0598","","","0.1547","0.1594","","","","","","1.022","","","","has coordinates","301503","2025-08-05","20:54:02",""
"7134744","13.036","0.0007","9.2577","0.0004","12.7472","0.0007","90","","105.591","0.006","90","","1481.77","0.14","143.15","","143.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H4 S2 -","- C10 H4 S2 -","- C80 H32 S16 -","8","1","","Nagase, Mai; Yoshida, Ryu; Nakano, Sachiko; Hirose, Takashi; Segawa, Yasutomo","Synthesis, structure, and properties of twisted π-conjugated molecules featuring three-dimensional π-π interactions in solid states.","Chemical communications (Cambridge, England)","2025","61","60","11187","11190","10.1039/d5cc02387d","","x-ray","0.71073","MoKα","","0.042","0.0336","","","0.0864","0.09","","","","","","1.072","","","","has coordinates","301509","2025-08-05","20:56:35",""
"7134745","13.9881","0.0003","11.6422","0.0003","22.2132","0.0005","90","","92.097","0.002","90","","3615.05","0.15","143.15","","143.15","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C20 H12 S6 -","- C20 H12 S6 -","- C160 H96 S48 -","8","1","","Nagase, Mai; Yoshida, Ryu; Nakano, Sachiko; Hirose, Takashi; Segawa, Yasutomo","Synthesis, structure, and properties of twisted π-conjugated molecules featuring three-dimensional π-π interactions in solid states.","Chemical communications (Cambridge, England)","2025","61","60","11187","11190","10.1039/d5cc02387d","","x-ray","0.71073","MoKα","","0.0309","0.0268","","","0.0678","0.0702","","","","","","1.051","","","","has coordinates","301509","2025-08-05","20:56:35",""
"7134746","12.0579","0.0005","7.6145","0.0003","21.3949","0.0007","90","","105.709","0.004","90","","1891","0.13","143.15","","143.15","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C24 H16 S4 -","- C24 H16 S4 -","- C96 H64 S16 -","4","1","","Nagase, Mai; Yoshida, Ryu; Nakano, Sachiko; Hirose, Takashi; Segawa, Yasutomo","Synthesis, structure, and properties of twisted π-conjugated molecules featuring three-dimensional π-π interactions in solid states.","Chemical communications (Cambridge, England)","2025","61","60","11187","11190","10.1039/d5cc02387d","","x-ray","0.71073","MoKα","","0.106","0.0843","","","0.2003","0.2093","","","","","","1.118","","","","has coordinates","301509","2025-08-05","20:56:35",""
"7134747","7.084","0.003","10.507","0.005","16.18","0.008","90","","90","","90","","1204.3","1","295","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 Br F3 N O -","- C11 H9 Br F3 N O -","- C44 H36 Br4 F12 N4 O4 -","4","1","","Sihag, Naveen; Bhartiya, Hemaang; Jain, Swati; Singh, Jitendra; Reddy, S. Rajagopala; Yadav, M. Ramu","Pd-catalyzed enantioselective reductive Heck reaction of mono-fluoro, <i>gem</i>-difluoro, and trifluoromethyl tethered-alkenes.","Chemical communications (Cambridge, England)","2025","61","61","11413","11416","10.1039/d5cc01559f","","","0.71073","MoKα","","0.0388","0.0265","","","0.0589","0.063","","","","","","1.028","","","","has coordinates","301519","2025-08-05","21:02:48",""
"7134748","7.2114","0.0005","8.6463","0.0005","17.6697","0.0011","90","","90","","90","","1101.74","0.12","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Br F2 N O -","- C11 H10 Br F2 N O -","- C44 H40 Br4 F8 N4 O4 -","4","1","","Sihag, Naveen; Bhartiya, Hemaang; Jain, Swati; Singh, Jitendra; Reddy, S. Rajagopala; Yadav, M. Ramu","Pd-catalyzed enantioselective reductive Heck reaction of mono-fluoro, <i>gem</i>-difluoro, and trifluoromethyl tethered-alkenes.","Chemical communications (Cambridge, England)","2025","61","61","11413","11416","10.1039/d5cc01559f","","x-ray","1.54184","CuKα","","0.068","0.0649","","","0.1857","0.1874","","","","","","1.171","","","","has coordinates","301519","2025-08-05","21:02:49",""
"7134749","20.4768","0.0011","11.5083","0.0006","14.185","0.0008","90","","132.601","0.001","90","","2460.5","0.2","298","2","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 F2 I N O -","- C11 H10 F2 I N O -","- C88 H80 F16 I8 N8 O8 -","8","1","","Sihag, Naveen; Bhartiya, Hemaang; Jain, Swati; Singh, Jitendra; Reddy, S. Rajagopala; Yadav, M. Ramu","Pd-catalyzed enantioselective reductive Heck reaction of mono-fluoro, <i>gem</i>-difluoro, and trifluoromethyl tethered-alkenes.","Chemical communications (Cambridge, England)","2025","61","61","11413","11416","10.1039/d5cc01559f","","","0.71073","MoKα","","0.0398","0.0285","","","0.0622","0.0682","","","","","","1.0381","","","","has coordinates","301519","2025-08-05","21:02:50",""
"7134750","9.7595","0.0003","14.8506","0.0005","16.2013","0.0006","90","","93.249","0.001","90","","2344.35","0.14","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 O4 -","- C31 H24 O4 -","- C124 H96 O16 -","4","1","","Goel, Komal; Shree V, Divya; Satyanarayana, Gedu","Acid-triggered cascade cyclization pathways of enynes: A rapid access to fused polycyclic products.","Chemical communications (Cambridge, England)","2025","61","61","11457","11460","10.1039/d5cc02143j","","","0.71073","MoKα","","0.0696","0.0461","","","0.1087","0.1225","","","","","","1.031","","","","has coordinates","301520","2025-08-05","21:03:13",""
"7134751","9.1486","0.0005","10.1141","0.0005","11.1933","0.0006","76.519","0.002","83.021","0.002","69.176","0.002","940.54","0.09","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C50 H40 O6 -","2","1","","Goel, Komal; Shree V, Divya; Satyanarayana, Gedu","Acid-triggered cascade cyclization pathways of enynes: A rapid access to fused polycyclic products.","Chemical communications (Cambridge, England)","2025","61","61","11457","11460","10.1039/d5cc02143j","","","0.71073","MoKα","","0.1001","0.0568","","","0.1413","0.1637","","","","","","1.027","","","","has coordinates","301520","2025-08-05","21:03:14",""
"7134752","9.6407","0.0005","9.9098","0.0005","12.2951","0.0007","97.191","0.002","112.732","0.002","106.874","0.002","998.56","0.1","133","","133","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 Cl2 O2 -","- C25 H18 Cl2 O2 -","- C50 H36 Cl4 O4 -","2","1","","Goel, Komal; Shree V, Divya; Satyanarayana, Gedu","Acid-triggered cascade cyclization pathways of enynes: A rapid access to fused polycyclic products.","Chemical communications (Cambridge, England)","2025","61","61","11457","11460","10.1039/d5cc02143j","","","0.71073","MoKα","","0.0408","0.0333","","","0.0841","0.0879","","","","","","1.053","","","","has coordinates","301520","2025-08-05","21:03:14",""
"7134753","7.961","0.002","15.645","0.005","13.67","0.004","90","","105.538","0.01","90","","1640.4","0.8","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 O3 -","- C23 H16 O3 -","- C92 H64 O12 -","4","1","","Goel, Komal; Shree V, Divya; Satyanarayana, Gedu","Acid-triggered cascade cyclization pathways of enynes: A rapid access to fused polycyclic products.","Chemical communications (Cambridge, England)","2025","61","61","11457","11460","10.1039/d5cc02143j","","","0.71073","MoKα","","0.0574","0.0433","","","0.1183","0.129","","","","","","1.038","","","","has coordinates","301520","2025-08-05","21:03:14",""
"7134754","4.725","0.008","13.22","0.05","17.69","0.06","112.5","0.3","92.17","0.17","89.8","0.18","1020","6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C2.88 H1.88 Br0.25 O0.62 -","- C2.875 H1.875 Br0.25 O0.625 -","- C46 H30 Br4 O10 -","16","8","","Londhe, Gokul S.; Mondal, Shankhajit; Gnanaprakasam, Boopathy","A Mn(III)-catalysed domino process for C-3 substituted dihydrocoumarins from 2-hydroxybenzyl alcohols and 4-hydroxy-2<i>H</i>-chromen-2-ones.","Chemical communications (Cambridge, England)","2025","61","62","11617","11620","10.1039/d5cc02950c","","","1.54178","CuKα","","0.0911","0.0656","","","0.1735","0.1918","","","","","","1.155","","","","has coordinates","301499","2025-08-05","20:52:43",""
"7134755","7.9502","0.00003","15.00228","0.00008","22.48379","0.00011","90","","90","","90","","2681.67","0.02","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 S -","- C16 H16 N2 S -","- C128 H128 N16 S8 -","8","1","","Marquardt, Michael; Vendier, Laure; Sournia-Saquet, Alix; Maurel, Vincent; Mouesca, Jean-Marie; Bastin, Stéphanie; Castillo, Ivan; César, Vincent","A non-innocent, π-extended N-heterobicyclic carbene-thiolate ligand.","Chemical communications (Cambridge, England)","2025","61","61","11437","11440","10.1039/d5cc02841h","","x-ray","1.54184","CuKα","","0.0332","0.0327","","0.09","0.0895","0.09","","","","","","0.9847","","","","has coordinates","301518","2025-08-05","21:02:09",""
"7134756","11.5021","0.0001","32.2956","0.0004","41.3195","0.0005","90","","90","","90","","15348.8","0.3","100","2","100","2","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C64 H60 Ag2 F12 N8 Ni2 S4 Sb2 -","- C64 H60 Ag2 F12 N8 Ni2 S4 Sb2 -","- C512 H480 Ag16 F96 N64 Ni16 S32 Sb16 -","8","0.25","","Marquardt, Michael; Vendier, Laure; Sournia-Saquet, Alix; Maurel, Vincent; Mouesca, Jean-Marie; Bastin, Stéphanie; Castillo, Ivan; César, Vincent","A non-innocent, π-extended N-heterobicyclic carbene-thiolate ligand.","Chemical communications (Cambridge, England)","2025","61","61","11437","11440","10.1039/d5cc02841h","","x-ray","1.5418","CuKα","","0.0539","0.0527","","","0.1513","0.1526","","","","","","1.049","","","","has coordinates,has disorder","301518","2025-08-05","21:02:14",""
"7134757","11.23947","0.00007","11.63264","0.00009","12.08649","0.00007","94.9271","0.0006","109.939","0.0006","107.106","0.0006","1388.98","0.019","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N4 Ni S2 -","- C32 H30 N4 Ni S2 -","- C64 H60 N8 Ni2 S4 -","2","1","","Marquardt, Michael; Vendier, Laure; Sournia-Saquet, Alix; Maurel, Vincent; Mouesca, Jean-Marie; Bastin, Stéphanie; Castillo, Ivan; César, Vincent","A non-innocent, π-extended N-heterobicyclic carbene-thiolate ligand.","Chemical communications (Cambridge, England)","2025","61","61","11437","11440","10.1039/d5cc02841h","","x-ray","1.54184","CuKα","","0.0394","0.0383","","0.1069","0.106","0.1069","","","","","","0.9968","","","","has coordinates","301518","2025-08-05","21:02:14",""
"7134758","9.4575","0.0003","13.1091","0.0004","17.8161","0.0006","83.827","0.002","84.966","0.002","86.326","0.002","2184.22","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50.2 H52.96 Cl3.06 N2 -","- C50.2027 H52.9634 Cl3.0574 N2 -","- C100.405 H105.927 Cl6.1148 N4 -","2","1","","Zhang, Zhiyu; Xu, Zhenxun; Zhang, Aihui; Bai, Fenghua; Hashikawa, Yoshifumi; Chaolumen, ?","Synthesis of a twisted azananographene featuring a diquinoxaline-fused pyrene.","Chemical communications (Cambridge, England)","2025","61","61","11401","11404","10.1039/d5cc02120k","","","1.54184","CuKα","","0.079","0.0642","","","0.1772","0.1919","","","","","","1.041","","","","has coordinates,has disorder","301521","2025-08-05","21:03:36",""
"7134759","7.9299","0.0001","15.7754","0.0002","20.8624","0.0002","90","","90.502","0.001","90","","2609.73","0.05","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Bi Cl Ni P2 -","- C24 H36 Bi Cl Ni P2 -","- C96 H144 Bi4 Cl4 Ni4 P8 -","4","1","","Yoo, Dagyum; Brannan, Alexander C.; Lim, Soohyun; Lee, Heui Beom; Lee, Yunho","Reversible CO binding at a nickel complex supported by an ambiphilic PBiP tridentate ligand.","Chemical communications (Cambridge, England)","2025","61","61","11453","11456","10.1039/d5cc02850g","","x-ray","1.54184","CuKα","","0.0384","0.0378","","","0.1092","0.1097","","","","","","1.14","","","","has coordinates","301523","2025-08-05","21:05:07",""
"7134760","19.49554","0.00018","17.5937","0.00017","21.22369","0.00017","90","","90","","90","","7279.7","0.11","93","2","93","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H54 Bi Cl N2 Ni P2 -","- C34 H54 Bi Cl N2 Ni P2 -","- C272 H432 Bi8 Cl8 N16 Ni8 P16 -","8","1","","Yoo, Dagyum; Brannan, Alexander C.; Lim, Soohyun; Lee, Heui Beom; Lee, Yunho","Reversible CO binding at a nickel complex supported by an ambiphilic PBiP tridentate ligand.","Chemical communications (Cambridge, England)","2025","61","61","11453","11456","10.1039/d5cc02850g","","x-ray","1.54178","CuKα","","0.0345","0.0329","","","0.0872","0.0883","","","","","","1.075","","","","has coordinates,has disorder","301523","2025-08-05","21:05:08",""
"7134761","10.7706","0.0007","12.3565","0.0007","15.647","0.0009","93.308","0.002","109.812","0.002","106.535","0.002","1850.5","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","C35H54BiNNiO3P2","","- C35 H54 Bi N Ni O3 P2 -","- C35 H54 Bi N Ni O3 P2 -","- C70 H108 Bi2 N2 Ni2 O6 P4 -","2","1","","Yoo, Dagyum; Brannan, Alexander C.; Lim, Soohyun; Lee, Heui Beom; Lee, Yunho","Reversible CO binding at a nickel complex supported by an ambiphilic PBiP tridentate ligand.","Chemical communications (Cambridge, England)","2025","61","61","11453","11456","10.1039/d5cc02850g","","","0.71073","MoKα","","0.0333","0.0268","","","0.0558","0.0606","","","","","","1.098","","","","has coordinates","301523","2025-08-05","21:05:08",""
"7134762","11.0192","0.0001","50.5458","0.0006","29.036","0.0002","90","","91.575","0.001","90","","16166.2","0.3","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H74 B Bi N2 Ni P2 -","- C58 H74 B Bi N2 Ni P2 -","- C696 H888 B12 Bi12 N24 Ni12 P24 -","12","3","","Yoo, Dagyum; Brannan, Alexander C.; Lim, Soohyun; Lee, Heui Beom; Lee, Yunho","Reversible CO binding at a nickel complex supported by an ambiphilic PBiP tridentate ligand.","Chemical communications (Cambridge, England)","2025","61","61","11453","11456","10.1039/d5cc02850g","","","1.54178","CuKα","","0.0637","0.0562","","","0.1452","0.1487","","","","","","1.151","","","","has coordinates,has disorder","301523","2025-08-05","21:05:08",""
"7134763","13.6212","0.0007","20.8338","0.0011","16.5044","0.0009","90","","92.171","0.002","90","","4680.3","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H72 Bi N3 Ni O P2 -","- C43 H72 Bi N3 Ni O P2 -","- C172 H288 Bi4 N12 Ni4 O4 P8 -","4","1","","Yoo, Dagyum; Brannan, Alexander C.; Lim, Soohyun; Lee, Heui Beom; Lee, Yunho","Reversible CO binding at a nickel complex supported by an ambiphilic PBiP tridentate ligand.","Chemical communications (Cambridge, England)","2025","61","61","11453","11456","10.1039/d5cc02850g","","x-ray","0.71073","MoKα","","0.0603","0.0334","","","0.0639","0.0789","","","","","","1.131","","","","has coordinates","301523","2025-08-05","21:05:08",""
"7134764","11.7379","0.0005","11.8444","0.0005","20.9031","0.0009","86.791","0.002","77.237","0.002","89.535","0.002","2829.8","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H72 Bi2 Cl2 Ni2 O4 P4 -","- C52 H72 Bi2 Cl2 Ni2 O4 P4 -","- C104 H144 Bi4 Cl4 Ni4 O8 P8 -","2","1","","Yoo, Dagyum; Brannan, Alexander C.; Lim, Soohyun; Lee, Heui Beom; Lee, Yunho","Reversible CO binding at a nickel complex supported by an ambiphilic PBiP tridentate ligand.","Chemical communications (Cambridge, England)","2025","61","61","11453","11456","10.1039/d5cc02850g","","","0.71073","MoKα","","0.0181","0.0161","","","0.0364","0.0368","","","","","","1.064","","","","has coordinates","301523","2025-08-05","21:05:08",""
"7134765","20.341","0.01","13.506","0.006","21.538","0.008","90","","121.24","0.03","90","","5059","4","273","","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 Cd N4 O8 -","- C30 H18 Cd N4 O8 -","- C120 H72 Cd4 N16 O32 -","4","1","","Li, Kuixiang; Qin, Jin; Hao, Pengfei; Xu, Yi; Zhang, Shimin; Shen, Junju; Fu, Yunlong","Linear-light-controlled reverse electron transfer in a 3-D pyromelliticdiimide-based photo-/thermochromic cadmium(II) coordination polymer.","Chemical communications (Cambridge, England)","2025","61","63","11822","11825","10.1039/d5cc02865e","","","0.71073","MoKα","","0.1391","0.0968","","","0.2607","0.2939","","","","","","1.04","","","","has coordinates,has disorder","301489","2025-08-05","20:46:37",""
"7134766","9.1352","0.0004","16.5171","0.0006","17.9335","0.0008","90","","90","","90","","2705.9","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 N O2 -","- C34 H39 N O2 -","- C136 H156 N4 O8 -","4","1","","Zhu, Yanren; Yang, Shaoxiong; Chen, Huiyu; Zhang, Fang; Pu, Enfan; Jiang, Piaopiao; Jin, Yi; Zhang, Hongbin; Chen, Jingbo","Cycloaddition of bicyclo[1.1.0]butanes with enamides for the efficient synthesis of 2-amino-bicyclo[2.1.1]hexanes.","Chemical communications (Cambridge, England)","2025","61","61","11493","11496","10.1039/d5cc02908b","","x-ray","0.71073","MoKα","","0.0704","0.0497","","","0.0943","0.1045","","","","","","1.059","","","","has coordinates","301522","2025-08-05","21:03:51",""
"7134767","7.4907","0.0003","15.9278","0.0007","7.9606","0.0005","90","","101.271","0.002","90","","931.46","0.08","100","","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H17 Br N O3 -","- C22 H17 Br N O3 -","- C44 H34 Br2 N2 O6 -","2","1","","Zhu, Yanren; Yang, Shaoxiong; Chen, Huiyu; Zhang, Fang; Pu, Enfan; Jiang, Piaopiao; Jin, Yi; Zhang, Hongbin; Chen, Jingbo","Cycloaddition of bicyclo[1.1.0]butanes with enamides for the efficient synthesis of 2-amino-bicyclo[2.1.1]hexanes.","Chemical communications (Cambridge, England)","2025","61","61","11493","11496","10.1039/d5cc02908b","","x-ray","0.71073","MoKα","","0.0422","0.0382","","","0.0926","0.0948","","","","","","1.11","","","","has coordinates","301522","2025-08-05","21:03:51",""
"7134768","12.114","0.006","21.416","0.01","21.921","0.01","89.666","0.012","74.179","0.018","80.249","0.018","5388","4","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H82 Bi Cl Fe N2 P2 Si2 -","- C46 H82 Bi Cl Fe N2 P2 Si2 -","- C184 H328 Bi4 Cl4 Fe4 N8 P8 Si8 -","4","2","","Zurakowski, Joseph A.; MacEachern, Mitchell A. Z.; Durfy, Connor S.; Boyle, Paul D.; Chitnis, Saurabh S.; Drover, Marcus W.","Hydro- and chloroelementation reactions across an iron-carbon bond using heavy group 15 reagents.","Chemical communications (Cambridge, England)","2025","61","59","10969","10972","10.1039/d5cc03258j","","","0.71073","MoKα","","0.0557","0.0306","","","0.0607","0.0691","","","","","","1.015","","","","has coordinates,has disorder","301513","2025-08-05","20:59:31",""
"7134769","24.5514","0.0016","15.9391","0.001","34.932","0.002","90","","101.616","0.002","90","","13389.9","1.4","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C112 H106 N6 S4 -","- C112 H106 N6 S4 -","- C448 H424 N24 S16 -","4","1","","Naniyil, Athira; Kumar, Arun; Edwin, Aathira; Gokulnath, Sabapathi","A carbazole-embedded cyclodimer adopting a helical conformation and metal-ion sensing.","Chemical communications (Cambridge, England)","2025","61","62","11633","11636","10.1039/d5cc03179f","","","0.71073","MoKα","","0.2676","0.1527","","","0.3981","0.431","","","","","","1.17","","","","has coordinates","301501","2025-08-05","20:53:27",""
"7134770","10.7686","0.0005","12.9029","0.0006","10.664","0.0004","90","","91.158","0.004","90","","1481.42","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Mn3 N16 -","- C24 H26 Mn3 N16 -","- C48 H52 Mn6 N32 -","2","0.5","","León-Alcaide, Luis; Fernández-Alarcón, Alberto; Calbo, Joaquín; Keen, David A.; Mínguez Espallargas, Guillermo","Melt-quenched synthesis of a manganese ZIF glass.","Chemical communications (Cambridge, England)","2025","61","62","11641","11644","10.1039/d5cc02342d","","x-ray","1.54184","CuKα","","0.0712","0.0501","","","0.1286","0.1446","","","","","","1.024","","","","has coordinates","301502","2025-08-05","20:53:43",""
"7134771","12.2639","0.0006","16.0411","0.0008","17.8781","0.0009","74.241","0.004","88.232","0.004","74.805","0.004","3263.5","0.3","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C121 H98 Cl2 Cu8 F12 N8 P4 S8 -","- C121 H98 Cl2 Cu8 F12 N8 P4 S8 -","- C121 H98 Cl2 Cu8 F12 N8 P4 S8 -","1","0.5","","Chang, Mengfan; Xu, Ying; Lv, Ying; Yu, Haizhu; Li, Hao; Kang, Xi; Zhu, Manzhou","Controlling the photoluminescence chromaticity of emissive copper nanoclusters <i>via</i> ligand engineering.","Chemical communications (Cambridge, England)","2025","61","60","11215","11218","10.1039/d5cc02621k","","","1.54186","CuKα","","0.101","0.0794","","","0.2211","0.2485","","","","","","1.028","","","","has coordinates,has disorder","301507","2025-08-05","20:55:55",""
"7134772","8.4872","0.0004","10.3122","0.0005","11.7926","0.0005","96.838","0.004","107.111","0.004","99.692","0.004","956.65","0.08","295.1","0.4","295.1","0.4","","","","","","","","3","P -1","-P 1","2","","","","- C27 H20 O3 -","- C27 H20 O3 -","- C54 H40 O6 -","2","1","","Maharana, Priyanka; Sankar, Raman Vijaya; Sankaralingam, Muniyandi; Gunanathan, Chidambaram","Synthesis of functionalized lactones: catalytic cross-coupling of 1,2-diols and allylic alcohols.","Chemical communications (Cambridge, England)","2025","61","64","11947","11950","10.1039/d5cc02207j","","x-ray","1.54184","CuKα","","0.0574","0.0482","","","0.1427","0.151","","","","","","1.092","","","","has coordinates","302439","2025-10-06","07:06:25",""
"7134773","8.6833","0.001","7.9494","0.0009","25.996","0.003","90","","99.594","0.002","90","","1769.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O -","- C23 H23 N O -","- C92 H92 N4 O4 -","4","1","","Li, Juncheng; Adelakun, Ibrahim O.; Wei, Zheng; Wang, Ting","Metal-free photocatalytic oxidative coupling of cyclic ethers and alcohols.","Chemical communications (Cambridge, England)","2025","61","63","11818","11821","10.1039/d5cc02030a","","","0.71073","MoKα","","0.0887","0.0595","","","0.1332","0.1471","","","","","","1.059","","","","has coordinates","301491","2025-08-05","20:47:11",""
"7134774","12.6188","0.0001","14.4351","0.0001","39.6972","0.0002","87.74","0.001","84.081","0.001","88.177","0.001","7184.04","0.09","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C79 H110 Mg N6 O -","- C79 H110 Mg N6 O -","- C316 H440 Mg4 N24 O4 -","4","2","","Evans, Matthew J.; Jones, Cameron","Unsymmetrical bis(anilido)xanthene ligands: development and use in the preparation of magnesium diamide complexes.","Chemical communications (Cambridge, England)","2025","61","63","11814","11817","10.1039/d5cc03202d","","x-ray","1.54184","CuKα","","0.0807","0.0728","","","0.1981","0.2057","","","","","","1.011","","","","has coordinates,has disorder","301487","2025-08-05","20:45:07",""
"7134775","9.9907","0.0001","17.0201","0.0002","23.3184","0.0002","103.355","0.001","102.238","0.001","103.661","0.001","3596.71","0.07","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C43 H58 N2 O -","- C43 H58 N2 O -","- C172 H232 N8 O4 -","4","2","","Evans, Matthew J.; Jones, Cameron","Unsymmetrical bis(anilido)xanthene ligands: development and use in the preparation of magnesium diamide complexes.","Chemical communications (Cambridge, England)","2025","61","63","11814","11817","10.1039/d5cc03202d","","x-ray","1.54184","CuKα","","0.0654","0.0589","","","0.1509","0.1562","","","","","","1.033","","","","has coordinates,has disorder","301487","2025-08-05","20:45:09",""
"7134776","17.5","0.004","17.78","0.004","22.86","0.005","90","","104.86","0.03","90","","6875","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H110 Mg N2 O3 -","- C80 H110 Mg N2 O3 -","- C320 H440 Mg4 N8 O12 -","4","2","","Evans, Matthew J.; Jones, Cameron","Unsymmetrical bis(anilido)xanthene ligands: development and use in the preparation of magnesium diamide complexes.","Chemical communications (Cambridge, England)","2025","61","63","11814","11817","10.1039/d5cc03202d","","","0.71073","Synchrotron","","0.0376","0.0367","","","0.096","0.0969","","","","","","1.032","","","","has coordinates","301487","2025-08-05","20:45:09",""
"7134777","12.707","0.0002","28.0723","0.0003","14.6372","0.0002","90","","98.653","0.001","90","","5161.87","0.12","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H80 N2 O -","- C58 H80 N2 O -","- C232 H320 N8 O4 -","4","1","","Evans, Matthew J.; Jones, Cameron","Unsymmetrical bis(anilido)xanthene ligands: development and use in the preparation of magnesium diamide complexes.","Chemical communications (Cambridge, England)","2025","61","63","11814","11817","10.1039/d5cc03202d","","x-ray","1.54184","CuKα","","0.1144","0.0972","","","0.277","0.2954","","","","","","1.048","","","","has coordinates,has disorder","301487","2025-08-05","20:45:09",""
"7134778","16.4224","0.0003","26.1026","0.0003","17.6208","0.0003","90","","117.172","0.002","90","","6719.9","0.2","122.9","0.2","122.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C304 H384 N32 O16 -","16","4","","Evans, Matthew J.; Jones, Cameron","Unsymmetrical bis(anilido)xanthene ligands: development and use in the preparation of magnesium diamide complexes.","Chemical communications (Cambridge, England)","2025","61","63","11814","11817","10.1039/d5cc03202d","","x-ray","1.54184","CuKα","","0.0769","0.067","","","0.1877","0.1989","","","","","","1.057","","","","has coordinates,has disorder","301487","2025-08-05","20:45:09",""
"7134779","29.1","0.006","11.07","0.002","29.06","0.006","90","","97.9","0.03","90","","9272","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C110 H138 Mg2 N4 O2 -","- C110 H138 Mg2 N4 O2 -","- C440 H552 Mg8 N16 O8 -","4","0.5","","Evans, Matthew J.; Jones, Cameron","Unsymmetrical bis(anilido)xanthene ligands: development and use in the preparation of magnesium diamide complexes.","Chemical communications (Cambridge, England)","2025","61","63","11814","11817","10.1039/d5cc03202d","","","0.71073","Synchrotron","","0.0717","0.0522","","","0.1365","0.151","","","","","","1.037","","","","has coordinates","301487","2025-08-05","20:45:09",""
"7134780","13.65","0.003","16.68","0.003","24.09","0.005","103.86","0.03","104.61","0.03","93.9","0.03","5105","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C164 H202 K6 Mg2 N4 O2 -","- C164 H202 K6 Mg2 N4 O2 -","- C164 H202 K6 Mg2 N4 O2 -","1","0.5","","Evans, Matthew J.; Jones, Cameron","Unsymmetrical bis(anilido)xanthene ligands: development and use in the preparation of magnesium diamide complexes.","Chemical communications (Cambridge, England)","2025","61","63","11814","11817","10.1039/d5cc03202d","","","0.71073","Synchrotron","","0.1092","0.089","","","0.2691","0.2946","","","","","","1.03","","","","has coordinates","301487","2025-08-05","20:45:09",""
"7134781","12.4386","0.0001","19.1066","0.0002","21.5188","0.0003","89.669","0.001","87.336","0.001","89.355","0.001","5108.22","0.1","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C62.5 H80 N2 O -","- C62.5 H80 N2 O -","- C250 H320 N8 O4 -","4","2","","Evans, Matthew J.; Jones, Cameron","Unsymmetrical bis(anilido)xanthene ligands: development and use in the preparation of magnesium diamide complexes.","Chemical communications (Cambridge, England)","2025","61","63","11814","11817","10.1039/d5cc03202d","","x-ray","1.54184","CuKα","","0.0716","0.0639","","","0.1845","0.1945","","","","","","1.068","","","","has coordinates","301487","2025-08-05","20:45:09",""
"7134782","15.8363","0.0007","15.8363","0.0007","58.867","0.004","90","","90","","90","","14763.2","1.4","223","","223","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C93 H86 Cl2 N6 -","- C93 H86 Cl2 N6 -","- C744 H688 Cl16 N48 -","8","1","","Xiao, Xiong; Liang, Jia-Qi; Hu, Jia-Jun; Yuan, Li; Zhu, Jia-Zhen; Chen, Zong-Ju; Song, You; Li, Cheng-Hui; Zheng, You-Xuan","Planar chiral orange-red TADF materials with AIE properties for efficient circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2025","61","63","11766","11769","10.1039/d5cc02694f","","","1.54178","CuKα","","0.0474","0.0411","","","0.1049","0.1093","","","","","","1.059","","","","has coordinates,has disorder","301488","2025-08-05","20:46:15",""
"7134783","13.5469","0.001","23.814","0.0014","19.642","0.0012","90","","108.456","0.002","90","","6010.7","0.7","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H56 Cl4 N6 -","- C78 H56 Cl4 N6 -","- C312 H224 Cl16 N24 -","4","1","","Xiao, Xiong; Liang, Jia-Qi; Hu, Jia-Jun; Yuan, Li; Zhu, Jia-Zhen; Chen, Zong-Ju; Song, You; Li, Cheng-Hui; Zheng, You-Xuan","Planar chiral orange-red TADF materials with AIE properties for efficient circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2025","61","63","11766","11769","10.1039/d5cc02694f","","","0.71073","MoKα","","0.1181","0.076","","","0.193","0.2268","","","","","","1.035","","","","has coordinates,has disorder","301488","2025-08-05","20:46:16",""
"7134784","15.8075","0.0006","15.8075","0.0006","58.762","0.004","90","","90","","90","","14683.3","1.3","223","","223","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C93 H86 Cl2 N6 -","- C93 H86 Cl2 N6 -","- C744 H688 Cl16 N48 -","8","1","","Xiao, Xiong; Liang, Jia-Qi; Hu, Jia-Jun; Yuan, Li; Zhu, Jia-Zhen; Chen, Zong-Ju; Song, You; Li, Cheng-Hui; Zheng, You-Xuan","Planar chiral orange-red TADF materials with AIE properties for efficient circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2025","61","63","11766","11769","10.1039/d5cc02694f","","","1.54178","CuKα","","0.0362","0.0338","","","0.0867","0.0886","","","","","","1.043","","","","has coordinates,has disorder","301488","2025-08-05","20:46:16",""
"7134785","5.8667","0.0006","8.571","0.0008","16.0568","0.0016","86.246","0.008","82.777","0.009","81.975","0.009","792.2","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 Li O4 -","- C16 H21 Li O4 -","- C32 H42 Li2 O8 -","2","1","","Zhang, Ruichen; O'Brien, Tom; Abdilah, Fauzi; White, Andrew J. P.; Lickiss, Paul D.; Davies, Robert P.","Organometallic and zeolitic ultralight MOFs from lithium alkynyl building blocks.","Chemical communications (Cambridge, England)","2025","61","62","11637","11640","10.1039/d5cc01112d","","","1.54184","CuKα","","0.0948","0.0638","","","0.1699","0.2006","","","","","","1.051","","","","has coordinates,has disorder","301500","2025-08-05","20:53:09",""
"7134786","10.0389","0.001","12.4597","0.0018","13.0418","0.0019","61.824","0.015","74.874","0.011","82.866","0.01","1388.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H36 Li4 O4 -","- C28 H36 Li4 O4 -","- C56 H72 Li8 O8 -","2","1","","Zhang, Ruichen; O'Brien, Tom; Abdilah, Fauzi; White, Andrew J. P.; Lickiss, Paul D.; Davies, Robert P.","Organometallic and zeolitic ultralight MOFs from lithium alkynyl building blocks.","Chemical communications (Cambridge, England)","2025","61","62","11637","11640","10.1039/d5cc01112d","","","1.54184","CuKα","","0.216","0.0798","","","0.197","0.2648","","","","","","0.853","","","","has coordinates,has disorder","301500","2025-08-05","20:53:09",""
"7134787","25.9396","0.0003","25.9396","0.0003","25.9396","0.0003","90","","90","","90","","17453.8","0.3","173","2","173","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C5.71 H9.42 Li N O0.35 -","- C5 H8 Li N -","- C480 H768 Li96 N96 -","96","0.5","","Zhang, Ruichen; O'Brien, Tom; Abdilah, Fauzi; White, Andrew J. P.; Lickiss, Paul D.; Davies, Robert P.","Organometallic and zeolitic ultralight MOFs from lithium alkynyl building blocks.","Chemical communications (Cambridge, England)","2025","61","62","11637","11640","10.1039/d5cc01112d","","","1.54184","CuKα","","0.0607","0.0567","","","0.1743","0.1865","","","","","","1.121","","","","has coordinates","301500","2025-08-05","20:53:09",""
"7134788","10.809","0.0002","27.6823","0.0006","16.7998","0.0003","90","","105.552","0.002","90","","4842.76","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H68 Li4 O8 Si4 -","- C36 H68 Li4 O8 Si4 -","- C144 H272 Li16 O32 Si16 -","4","1","","Zhang, Ruichen; O'Brien, Tom; Abdilah, Fauzi; White, Andrew J. P.; Lickiss, Paul D.; Davies, Robert P.","Organometallic and zeolitic ultralight MOFs from lithium alkynyl building blocks.","Chemical communications (Cambridge, England)","2025","61","62","11637","11640","10.1039/d5cc01112d","","","1.54184","CuKα","","0.1066","0.0788","","","0.2101","0.2544","","","","","","1.052","","","","has coordinates,has disorder","301500","2025-08-05","20:53:09",""
"7134789","8.4602","0.0005","5.14","0.0002","16.5862","0.0009","90","","99.445","0.006","90","","711.48","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Li4 O4 -","- C8 H4 Li4 O4 -","- C32 H16 Li16 O16 -","4","1","","Griffiths, Kieran; Cook, Chris; Seymour, Valerie R.; Bragg, Ryan J.; Halcovitch, Nathan R.; Griffin, John M.","Chemical lithiation reveals the structures of conjugated tetralithium dicarboxylates.","Chemical communications (Cambridge, England)","2025","61","64","11991","11994","10.1039/d5cc03043a","","x-ray","1.54184","CuKα","","0.0801","0.0629","","","0.1743","0.1871","","","","","","1.109","","","","has coordinates","302442","2025-10-06","07:07:10",""
"7134790","9.7425","0.0005","5.9515","0.0003","8.3569","0.0006","90","","105.758","0.007","90","","466.34","0.05","102","3","102.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 Li2 O2 -","- C6 H3 Li2 O2 -","- C24 H12 Li8 O8 -","4","1","","Griffiths, Kieran; Cook, Chris; Seymour, Valerie R.; Bragg, Ryan J.; Halcovitch, Nathan R.; Griffin, John M.","Chemical lithiation reveals the structures of conjugated tetralithium dicarboxylates.","Chemical communications (Cambridge, England)","2025","61","64","11991","11994","10.1039/d5cc03043a","","","1.54184","CuKα","","0.0552","0.049","","","0.1403","0.1481","","","","","","1.078","","","","has coordinates","302442","2025-10-06","07:07:11",""
"7134791","8.35839","0.00016","5.13401","0.00012","8.4796","0.00016","90","","93.187","0.0018","90","","363.314","0.013","290.8","0.4","290.8","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Li2BDC","","- C4 H2 Li O2 -","- C4 H2 Li O2 -","- C16 H8 Li4 O8 -","4","1","","Griffiths, Kieran; Cook, Chris; Seymour, Valerie R.; Bragg, Ryan J.; Halcovitch, Nathan R.; Griffin, John M.","Chemical lithiation reveals the structures of conjugated tetralithium dicarboxylates.","Chemical communications (Cambridge, England)","2025","61","64","11991","11994","10.1039/d5cc03043a","","x-ray","1.54184","CuKα","","0.0292","0.0287","","","0.081","0.0814","","","","","","1.103","","","","has coordinates","302442","2025-10-06","07:07:11",""
"7134792","10.2674","0.0002","5.3379","0.0001","8.6255","0.0001","90","","98.721","0.001","90","","467.267","0.014","291.5","0.3","291.5","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 Li O2 -","- C6 H3 Li O2 -","- C24 H12 Li4 O8 -","4","1","","Griffiths, Kieran; Cook, Chris; Seymour, Valerie R.; Bragg, Ryan J.; Halcovitch, Nathan R.; Griffin, John M.","Chemical lithiation reveals the structures of conjugated tetralithium dicarboxylates.","Chemical communications (Cambridge, England)","2025","61","64","11991","11994","10.1039/d5cc03043a","","x-ray","1.54184","CuKα","","0.0321","0.0311","","","0.0855","0.0867","","","","","","1.076","","","","has coordinates","302442","2025-10-06","07:07:11",""
"7134793","10.6572","0.0004","12.3917","0.0005","12.825","0.0005","105.741","0.0014","95.3783","0.0014","104.429","0.0014","1554.92","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N4 O -","- C38 H38 N4 O -","- C76 H76 N8 O2 -","2","1","","Alkaş, Adil; Diaz-Rodriguez, Roberto M; Sequeira, Steve O.; Hilborn, James W.; Atansi, Mmasinachi; Sullivan, Em C.; Brown, Emily B.; Gapare, Rosinah Liandrah; Mutus, Bulent; Robertson, Katherine N.; Thompson, Alison","Introducing the substituted azobispyrrole framework: synthesis and properties.","Chemical communications (Cambridge, England)","2025","61","62","11649","11652","10.1039/d5cc02884a","","","0.71073","MoKα","","0.0848","0.0513","","","0.1209","0.1477","","","","","","1.085","","","","has coordinates","301504","2025-08-05","20:54:43",""
"7134794","22.8308","0.0005","19.6331","0.0005","7.717","0.0002","90","","90","","90","","3459.06","0.15","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H38 B F2 N5 -","- C40 H38 B F2 N5 -","- C160 H152 B4 F8 N20 -","4","1","","Alkaş, Adil; Diaz-Rodriguez, Roberto M; Sequeira, Steve O.; Hilborn, James W.; Atansi, Mmasinachi; Sullivan, Em C.; Brown, Emily B.; Gapare, Rosinah Liandrah; Mutus, Bulent; Robertson, Katherine N.; Thompson, Alison","Introducing the substituted azobispyrrole framework: synthesis and properties.","Chemical communications (Cambridge, England)","2025","61","62","11649","11652","10.1039/d5cc02884a","","","0.71073","MoKα","","0.0403","0.0374","","","0.0991","0.1016","","","","","","1.066","","","","has coordinates","301504","2025-08-05","20:54:45",""
"7134795","19.232","0.0008","19.9165","0.0007","19.9108","0.0008","68.127","0.0014","74.0072","0.0015","73.9936","0.0014","6674.3","0.5","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C160 H160 N16 -","- C160 H160 N16 -","- C320 H320 N32 -","2","1","","Alkaş, Adil; Diaz-Rodriguez, Roberto M; Sequeira, Steve O.; Hilborn, James W.; Atansi, Mmasinachi; Sullivan, Em C.; Brown, Emily B.; Gapare, Rosinah Liandrah; Mutus, Bulent; Robertson, Katherine N.; Thompson, Alison","Introducing the substituted azobispyrrole framework: synthesis and properties.","Chemical communications (Cambridge, England)","2025","61","62","11649","11652","10.1039/d5cc02884a","","","0.71073","MoKα","","0.0781","0.0495","","","0.1199","0.1519","","","","","","1.159","","","","has coordinates","301504","2025-08-05","20:54:45",""
"7134796","14.025","0.0002","17.2738","0.0002","22.2406","0.0003","100.814","0.001","102.411","0.001","99.105","0.001","5056.81","0.12","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- Cl2 Cs18 O83 Pu2 W20 -","- Cl2 Cs18 O83 Pu2 W20 -","- Cl4 Cs36 O166 Pu4 W40 -","2","1","","Colliard, Ian; Stavila, Vitalie; Deblonde, Gauthier J.-P.","Isolation of a new polyoxometalate complex of plutonium.","Chemical communications (Cambridge, England)","2025","61","63","11858","11861","10.1039/d5cc03481g","","","0.71073","MoKα","","0.0736","0.0628","","","0.1735","0.1835","","","","","","1.034","","","","has coordinates","301490","2025-08-05","20:46:55",""
"7134797","18.4576","0.0006","16.232","0.0006","27.3781","0.001","90","","90","","90","","8202.6","0.5","213","","213","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H55 N2 O2 Sb -","- C46 H55 N2 O2 Sb -","- C368 H440 N16 O16 Sb8 -","8","1","","Agou, Tomohiro; Kuroiwa, Shunsuke; Moriyama, Ryo; Kuroda, Takuma; Kubo, Kazuya; Fukumoto, Hiroki; Morita, Masato; Inoue, Ryo; Nabeshima, Tatsuya","Synthesis and structural characterization of Sb(iii) and Bi(iii) complexes with an N2O2-type tetradentate dipyrrin ligand","Chemical Communications","2025","61","39","7141","7144","10.1039/D5CC01037C","","x-ray","0.71073","MoKα","","0.0924","0.0482","","","0.0926","0.1094","","","","","","1.025","","","","has coordinates,has disorder","300319","2025-07-04","09:34:42",""
"7134798","13.8968","0.001","14.1548","0.001","14.2678","0.001","62.515","0.007","80.924","0.006","62.258","0.007","2197.8","0.3","213","","213","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H57 Bi Cl2 N2 O2 -","- C47 H57 Bi Cl2 N2 O2 -","- C94 H114 Bi2 Cl4 N4 O4 -","2","1","","Agou, Tomohiro; Kuroiwa, Shunsuke; Moriyama, Ryo; Kuroda, Takuma; Kubo, Kazuya; Fukumoto, Hiroki; Morita, Masato; Inoue, Ryo; Nabeshima, Tatsuya","Synthesis and structural characterization of Sb(iii) and Bi(iii) complexes with an N2O2-type tetradentate dipyrrin ligand","Chemical Communications","2025","61","39","7141","7144","10.1039/D5CC01037C","","x-ray","0.71073","MoKα","","0.1462","0.0991","","","0.2315","0.2579","","","","","","1.104","","","","has coordinates,has disorder","300319","2025-07-04","09:34:44",""
"7134799","10.8437","0.0004","25.2054","0.0009","37.5571","0.0014","73.902","0.002","83.492","0.002","77.695","0.002","9619.9","0.6","173","2","173","","","","","","","","","3","P -1","-P 1","2","","TCNA","","- C84 H54 N8 -","- C84 H54 N8 -","- C336 H216 N32 -","4","2","","Li, Jiajia; Yang, Yanping; Hii, Shan Shiang; Zhu, Xinyuan; Wang, Youfu","Structural isomers of imine-linked covalent organic cages with divergent photocatalytic properties","Chemical Communications","2025","61","40","7281","7284","10.1039/D5CC00380F","","","1.54178","CuKα","","0.1557","0.0776","","","0.2158","0.2589","","","","","","0.974","","","","has coordinates","300321","2025-07-04","09:40:15",""
"7134800","23.0146","0.0005","9.9226","0.0002","36.4335","0.0008","90","","95.329","0.001","90","","8284.2","0.3","184","2","184","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","TNCA","","- C84 H54 N8 -","- C84 H54 N8 -","- C336 H216 N32 -","4","1","","Li, Jiajia; Yang, Yanping; Hii, Shan Shiang; Zhu, Xinyuan; Wang, Youfu","Structural isomers of imine-linked covalent organic cages with divergent photocatalytic properties","Chemical Communications","2025","61","40","7281","7284","10.1039/D5CC00380F","","x-ray","1.54184","CuKα","","0.116","0.0694","","","0.2089","0.2502","","","","","","1.028","","","","has coordinates,has disorder","300321","2025-07-04","09:40:20",""
"7134801","20.424","0.009","11.606","0.005","32.783","0.019","90","","107.44","0.02","90","","7414","6","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H90 Au2 F12 N8 P2 Sb2 -","- C68 H90 Au2 F12 N8 P2 Sb2 -","- C272 H360 Au8 F48 N32 P8 Sb8 -","4","1","","Urvashi,; Patil, Nitin T.","Bidentate (P^N) Au(iii)–azide complexes: synthesis and reductive elimination studies","Chemical Communications","2025","61","40","7297","7300","10.1039/D5CC01179E","","","0.71073","MoKα","","0.1249","0.0688","","","0.1343","0.1582","","","","","","1.029","","","","has coordinates","300322","2025-07-04","09:40:49",""
"7134802","11.689","0.002","17.293","0.003","8.4188","0.0014","90","","102.698","0.002","90","","1660.1","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F -","- C23 H17 F -","- C92 H68 F4 -","4","1","","Sun, Jie; Zhang, Shaojie; Wang, Ruixue; Lv, Zeng; Wu, Xin-Xing","Palladium-catalyzed sequential [3+2] cyclization/C–H activation of o-iodostyrenes with cyclopropenones as C2 synthons","Chemical Communications","2025","61","45","8200","8203","10.1039/D5CC01189B","","","0.71073","MoKα","","0.0729","0.0491","","","0.1549","0.1773","","","","","","1.273","","","","has coordinates","300323","2025-07-04","09:43:49",""
"7134803","38.852","0.004","14.8412","0.0015","18.368","0.0018","90","","90.004","0.003","90","","10591.2","1.8","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H44 Cl2 P2 Ru S2 -","- C39 H44 Cl2 P2 Ru S2 -","- C312 H352 Cl16 P16 Ru8 S16 -","8","1","","Mondragón-Díaz, Alexander; Kelley, Steven P.; Hazari, Nilay; Bernskoetter, Wesley H.","A highly active sulfur based pincer ruthenium catalyst for CO2 hydrogenation","Chemical Communications","2025","61","38","6957","6960","10.1039/D5CC01194A","","","0.71073","MoKα","","0.0754","0.066","","","0.1651","0.1701","","","","","","1.098","","","","has coordinates","300324","2025-07-04","09:47:26",""
"7134804","17.6021","0.0009","12.8281","0.0007","17.294","0.0009","90","","90","","90","","3905","0.4","173","","173","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C43.75 H61 O P2 Ru S4 -","- C35 H40 O P2 Ru S4 -","- C140 H160 O4 P8 Ru4 S16 -","4","1","","Mondragón-Díaz, Alexander; Kelley, Steven P.; Hazari, Nilay; Bernskoetter, Wesley H.","A highly active sulfur based pincer ruthenium catalyst for CO2 hydrogenation","Chemical Communications","2025","61","38","6957","6960","10.1039/D5CC01194A","","","0.71073","MoKα","","0.0453","0.0368","","","0.082","0.0881","","","","","","1.075","","","","has coordinates","300324","2025-07-04","09:47:27",""
"7134805","10.0461","0.0003","25.5274","0.0008","17.2498","0.0006","90","","97.0994","0.0012","90","","4389.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53.25 H80.2 P2 Ru S2 -","- C39 H46 P2 Ru S2 -","- C156 H184 P8 Ru4 S8 -","4","1","","Mondragón-Díaz, Alexander; Kelley, Steven P.; Hazari, Nilay; Bernskoetter, Wesley H.","A highly active sulfur based pincer ruthenium catalyst for CO2 hydrogenation","Chemical Communications","2025","61","38","6957","6960","10.1039/D5CC01194A","","","0.71073","MoKα","","0.0692","0.0486","","","0.0972","0.1112","","","","","","1.064","","","","has coordinates","300324","2025-07-04","09:47:27",""
"7134806","12.7723","0.0003","12.8615","0.0003","16.5534","0.0003","71.5478","0.0017","72.2458","0.0017","62.332","0.002","2243.75","0.1","100","0.6","100","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C94 H158 Ca2 N4 O3 -","- C94 H158 Ca2 N4 O3 -","- C94 H158 Ca2 N4 O3 -","1","0.5","","Thum, Stefan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd","Low-coordinate calcium peroxide and oxide complexes.","Chemical communications (Cambridge, England)","2025","61","65","12127","12130","10.1039/d5cc03340c","","x-ray","1.54184","CuKα","","0.0479","0.0419","","","0.1129","0.1177","","","","","","1.034","","","","has coordinates,has disorder","302474","2025-10-06","07:19:28",""
"7134807","12.822","0.0003","12.859","0.0002","16.6221","0.0003","71.9328","0.0016","71.5933","0.0019","62.498","0.002","2262.16","0.09","100","0.4","100","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C96 H162 Ca2 N4 O4 -","- C90 H148 Ca2 N4 O4 -","- C90 H148 Ca2 N4 O4 -","1","0.5","","Thum, Stefan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd","Low-coordinate calcium peroxide and oxide complexes.","Chemical communications (Cambridge, England)","2025","61","65","12127","12130","10.1039/d5cc03340c","","x-ray","1.54184","CuKα","","0.0335","0.032","","","0.0819","0.0833","","","","","","1.061","","","","has coordinates,has disorder","302474","2025-10-06","07:19:28",""
"7134808","8.9934","0.0002","9.8046","0.0002","18.7482","0.0004","90","","90","","90","","1653.15","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Cl O P -","- C20 H16 Cl O P -","- C80 H64 Cl4 O4 P4 -","4","1","","Zhang, Zhaoqi; Shen, Yirui; Zhao, Yufen; Wu, Ju","Electrochemical phosphorylation of α,β-unsaturated carboxylic acids <i>via</i> decarboxylative cross-coupling reaction.","Chemical communications (Cambridge, England)","2025","61","64","12034","12037","10.1039/d5cc03160e","","","1.54178","CuKα","","0.028","0.0277","","","0.0732","0.0734","","","","","","1.097","","","","has coordinates","302443","2025-10-06","07:07:26",""
"7134809","11.7526","0.0009","16.3049","0.0015","16.4854","0.0014","90","","90","","90","","3159","0.5","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 O P -","- C20 H15 O P -","- C160 H120 O8 P8 -","8","1","","Zhang, Zhaoqi; Shen, Yirui; Zhao, Yufen; Wu, Ju","Electrochemical phosphorylation of α,β-unsaturated carboxylic acids <i>via</i> decarboxylative cross-coupling reaction.","Chemical communications (Cambridge, England)","2025","61","64","12034","12037","10.1039/d5cc03160e","","","1.54178","CuKα","","0.0543","0.04","","","0.1017","0.112","","","","","","1.033","","","","has coordinates","302443","2025-10-06","07:07:26",""
"7134810","4.6907","0.0005","12.763","0.0017","31.449","0.004","90","","90","","90","","1882.8","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","DM12","","","- C24 H17 Br N2 O2 -","- C24 H17 Br N2 O2 -","- C96 H68 Br4 N8 O8 -","4","1","","Manoharan, Deepak; Bhowmik, Aritra; Mishra, Manish Kumar; Ghosh, Soumyajit","Water-driven modulation of multiresponsive properties in acylhydrazone-based crystals.","Chemical communications (Cambridge, England)","2025","61","65","12139","12142","10.1039/d5cc01375e","","","0.71073","MoKα","","0.0842","0.0483","","","0.0898","0.1035","","","","","","1.005","","","","has coordinates","302477","2025-10-06","07:20:16",""
"7134811","24.7055","0.0011","4.9654","0.0002","25.0076","0.0012","90","","118.895","0.001","90","","2685.8","0.2","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H15 Br N2 O -","- C24 H15 Br N2 O -","- C144 H90 Br6 N12 O6 -","6","3","","Manoharan, Deepak; Bhowmik, Aritra; Mishra, Manish Kumar; Ghosh, Soumyajit","Water-driven modulation of multiresponsive properties in acylhydrazone-based crystals.","Chemical communications (Cambridge, England)","2025","61","65","12139","12142","10.1039/d5cc01375e","","","0.71073","MoKα","","0.0513","0.0387","","","0.0748","0.0801","","","","","","0.996","","","","has coordinates","302477","2025-10-06","07:20:28",""
"7134812","4.723","0.003","12.844","0.01","32.01","0.02","90","","90","","90","","1942","2","300","","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Br N2 O2 -","- C24 H17 Br N2 O2 -","- C96 H68 Br4 N8 O8 -","4","1","","Manoharan, Deepak; Bhowmik, Aritra; Mishra, Manish Kumar; Ghosh, Soumyajit","Water-driven modulation of multiresponsive properties in acylhydrazone-based crystals.","Chemical communications (Cambridge, England)","2025","61","65","12139","12142","10.1039/d5cc01375e","","","0.71073","MoKα","","0.0842","0.0421","","","0.0718","0.0859","","","","","","1.011","","","","has coordinates","302477","2025-10-06","07:20:39",""
"7134813","7.815","0.0003","7.9476","0.0003","8.2858","0.0003","70.783","0.001","77.901","0.001","89.307","0.002","474.26","0.03","170","","170","","","","","","","","","4","P 1","P 1","1","","","","- C24 H21 Br O2 -","- C24 H21 Br O2 -","- C24 H21 Br O2 -","1","1","","Zhang, Ke-Feng; Zhou, Lin-Hui; Chen, Yan-Xi; Chen, Wei-Wei; Feng, Yuan-Mei; Ma, Fang","Catalytic Asymmetric Construction of Planarly and Centrally Chiral [2.2]paracyclophanes by Merging Photochemical and Cobalt Catalyzed Desymmetrization","Chemical Communications","2025","","","","","10.1039/D5CC03310A","","","1.34139","GaKα","","0.0589","0.054","","","0.142","0.1462","","","","","","1.037","","","","has coordinates","301201","2025-07-07","21:54:49",""
"7134814","9.1504","0.0004","19.6553","0.0006","9.7569","0.0004","90","","102.207","0.004","90","","1715.14","0.12","170","0.1","170","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","2","","Liu, Deng-Yin; Hu, Xin-Yue; Zhang, Cong-Zhen; Wen, Miao-Miao; Ren, Xiao-Xi; Liu, Xu-Ge","Switchable synthesis of benzimidazole/quinoxaline <i>C</i>-glycosides with <i>o</i>-phenylenediamines and sulfoxonium ylide glyco-reagents.","Chemical communications (Cambridge, England)","2025","61","65","12131","12134","10.1039/d5cc02719e","","x-ray","1.54184","CuKα","","0.0575","0.0511","","","0.1244","0.1319","","","","","","1.022","","","","has coordinates","302476","2025-10-06","07:19:59",""
"7134815","10.652","0.0003","5.4984","0.0002","42.3062","0.0013","90","","95.802","0.003","90","","2465.14","0.14","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C11 H9 Co2 O7 P -","- C11 H9 Co2 O7 P -","- C88 H72 Co16 O56 P8 -","8","1","","Xu, Yan; Su, Qian-Qian; Liu, Bei; Sun, Wen-Tao; Bao, Song-Song; Li, Su-Zhi; Zheng, Li-Min","Metal-organic framework containing Co<sub>3</sub>(μ<sub>3</sub>-OH)-based kagomé layers showing long-range weak ferromagnetic ordering.","Chemical communications (Cambridge, England)","2025","61","65","12211","12214","10.1039/d5cc02658j","","x-ray","0.71073","MoKα","","0.0358","0.0309","","","0.0769","0.0808","","","","","","1.058","","","","has coordinates","302478","2025-10-06","07:20:58",""
"7134816","26.3066","0.0018","21.2796","0.0014","13.9084","0.0009","90","","90","","90","","7785.8","0.9","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C55 H65 Co8 O43 P5 -","- C55 H65 Co8 O43 P5 -","- C220 H260 Co32 O172 P20 -","4","0.5","","Xu, Yan; Su, Qian-Qian; Liu, Bei; Sun, Wen-Tao; Bao, Song-Song; Li, Su-Zhi; Zheng, Li-Min","Metal-organic framework containing Co<sub>3</sub>(μ<sub>3</sub>-OH)-based kagomé layers showing long-range weak ferromagnetic ordering.","Chemical communications (Cambridge, England)","2025","61","65","12211","12214","10.1039/d5cc02658j","","","0.71073","MoKα","","0.0945","0.0514","","","0.127","0.1504","","","","","","1.038","","","","has coordinates,has disorder","302478","2025-10-06","07:20:58",""
"7134817","8.3477","0.0003","22.4967","0.0006","7.7113","0.0002","90","","106.006","0.003","90","","1392.01","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","zpf","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C60 H56 N8 O8 S4 -","4","1","","Zhou, Pengfei; Wan, Guibin; Yuan, Zhihan; Guan, Aoran; Wei, Zongwu; Liang, Taoyuan; Jiang, Jun; Zhang, Zhuan","Cobalt(III)-catalyzed C-H functionalization of 2-arylthiazoles with maleimides or allyl acetate.","Chemical communications (Cambridge, England)","2025","61","65","12171","12174","10.1039/d5cc03274a","","x-ray","1.54184","CuKα","","0.0616","0.0533","","","0.1344","0.1442","","","","","","1.07","","","","has coordinates","302473","2025-10-06","07:19:08",""
"7134818","17.6633","0.0015","8.3253","0.0008","21.863","0.002","90","","90","","90","","3215","0.5","298","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","KN_TB_TFA_C1","","- C38 H44 N4 O2 -","- C38 H44 N4 O2 -","- C152 H176 N16 O8 -","4","1","","Bhatt, Tarun; Dutta, Tonmoy; Yaswanth, Kokkiripati; Kalevaru, Venkata Narayana; Wohlrab, Sebastian; Natte, Kishore","Chemoselective transfer hydrogenation and transfer deuteration of substituted quinolines using Hantzsch ester and D<sub>2</sub>O.","Chemical communications (Cambridge, England)","2025","61","66","12305","12308","10.1039/d5cc03315b","","","0.71073","MoKα","","0.1097","0.0475","","","0.1054","0.1381","","","","","","1.027","","","","has coordinates","302453","2025-10-06","07:11:57",""
"7134819","8.5764","0.0005","9.5269","0.0007","15.3568","0.0011","100.161","0.002","100.588","0.002","102.767","0.002","1171.67","0.14","298","","298","","","","","","","","","5","P -1","-P 1","2","","KN_TB_TFA_C2_1","","- C27.5 H27 N O2 P -","- C27 H24 N O P -","- C54 H48 N2 O2 P2 -","2","1","","Bhatt, Tarun; Dutta, Tonmoy; Yaswanth, Kokkiripati; Kalevaru, Venkata Narayana; Wohlrab, Sebastian; Natte, Kishore","Chemoselective transfer hydrogenation and transfer deuteration of substituted quinolines using Hantzsch ester and D<sub>2</sub>O.","Chemical communications (Cambridge, England)","2025","61","66","12305","12308","10.1039/d5cc03315b","","","0.71073","MoKα","","0.0643","0.0446","","","0.1119","0.1235","","","","","","1.049","","","","has coordinates","302453","2025-10-06","07:11:58",""
"7134820","11.615","0.004","10.921","0.003","15.107","0.005","90","","111.302","0.008","90","","1785.4","1","295","2","295","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 -","- C24 H26 -","- C96 H104 -","4","1","","Samanta, Arup; Phukan, Hirak Jyoti; Tripathi, Ujjwal Kumar; Srimani, Dipankar","Merging metal-ligand cooperation and redox promoted strategy for tailored synthesis of alkylated 9<i>H</i>-fluorenes.","Chemical communications (Cambridge, England)","2025","61","67","12582","12585","10.1039/d5cc02867a","","","0.71073","MoKα","","0.0536","0.0465","","","0.1754","0.1932","","","","","","1.698","","","","has coordinates","303581","2025-11-29","17:57:24",""
"7134821","13.4493","0.001","15.5797","0.0012","7.6731","0.0006","90","","106.091","0.002","90","","1544.8","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Br2 N3 O Zn -","- C13 H13 Br2 N3 O Zn -","- C52 H52 Br8 N12 O4 Zn4 -","4","1","","Samanta, Arup; Phukan, Hirak Jyoti; Tripathi, Ujjwal Kumar; Srimani, Dipankar","Merging metal-ligand cooperation and redox promoted strategy for tailored synthesis of alkylated 9<i>H</i>-fluorenes.","Chemical communications (Cambridge, England)","2025","61","67","12582","12585","10.1039/d5cc02867a","","","0.71073","MoKα","","0.0351","0.0318","","","0.1051","0.1107","","","","","","0.926","","","","has coordinates","303581","2025-11-29","17:57:24",""
"7134822","9.9413","0.0006","13.4749","0.0008","14.3357","0.0008","90","","98.261","0.002","90","","1900.46","0.19","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br2 N4 O S Zn -","- C14 H18 Br2 N4 O S Zn -","- C56 H72 Br8 N16 O4 S4 Zn4 -","4","1","","Samanta, Arup; Phukan, Hirak Jyoti; Tripathi, Ujjwal Kumar; Srimani, Dipankar","Merging metal-ligand cooperation and redox promoted strategy for tailored synthesis of alkylated 9<i>H</i>-fluorenes.","Chemical communications (Cambridge, England)","2025","61","67","12582","12585","10.1039/d5cc02867a","","","0.71073","MoKα","","0.0685","0.0447","","","0.1467","0.1714","","","","","","1.203","","","","has coordinates","303581","2025-11-29","17:57:24",""
"7134823","8.972","0.003","13.053","0.004","13.269","0.005","63.504","0.008","86.68","0.009","85.485","0.009","1386","0.8","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O -","- C17 H18 O -","- C68 H72 O4 -","4","2","","Samanta, Arup; Phukan, Hirak Jyoti; Tripathi, Ujjwal Kumar; Srimani, Dipankar","Merging metal-ligand cooperation and redox promoted strategy for tailored synthesis of alkylated 9<i>H</i>-fluorenes.","Chemical communications (Cambridge, England)","2025","61","67","12582","12585","10.1039/d5cc02867a","","","0.71073","MoKα","","0.0667","0.0517","","","0.1411","0.1691","","","","","","0.867","","","","has coordinates","303581","2025-11-29","17:57:24",""
"7134824","8.297","0.0008","9.0505","0.0009","11.4465","0.0011","93.075","0.002","97.902","0.002","111.839","0.002","785.13","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 Cl2 -","- C19 H18 Cl2 -","- C38 H36 Cl4 -","2","1","","Samanta, Arup; Phukan, Hirak Jyoti; Tripathi, Ujjwal Kumar; Srimani, Dipankar","Merging metal-ligand cooperation and redox promoted strategy for tailored synthesis of alkylated 9<i>H</i>-fluorenes.","Chemical communications (Cambridge, England)","2025","61","67","12582","12585","10.1039/d5cc02867a","","","0.71073","MoKα","","0.0417","0.0382","","","0.0955","0.1001","","","","","","1.044","","","","has coordinates","303581","2025-11-29","17:57:24",""
"7134825","7.4524","0.0004","10.4775","0.0006","13.0859","0.0008","101.879","0.002","94.101","0.002","108.999","0.002","934.77","0.09","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 Br2 N3 O2 Zn -","- C15 H19 Br2 N3 O2 Zn -","- C30 H38 Br4 N6 O4 Zn2 -","2","1","","Samanta, Arup; Phukan, Hirak Jyoti; Tripathi, Ujjwal Kumar; Srimani, Dipankar","Merging metal-ligand cooperation and redox promoted strategy for tailored synthesis of alkylated 9<i>H</i>-fluorenes.","Chemical communications (Cambridge, England)","2025","61","67","12582","12585","10.1039/d5cc02867a","","","0.71073","MoKα","","0.0321","0.027","","","0.0896","0.0976","","","","","","0.836","","","","has coordinates","303581","2025-11-29","17:57:24",""
"7134826","5.905","0.0006","10.3232","0.0011","14.2771","0.0016","90","","96.286","0.002","90","","865.08","0.16","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H18 Cl N O3 -","- C21 H18 Cl N O3 -","- C42 H36 Cl2 N2 O6 -","2","1","","Xiao, Yu-Qing; Li, Zi-Qing; Hu, Fang; Li, Tian-Yu; Zhou, Zheng-Xin; Zhang, Zhihan; Tan, Ying; Xiao, Wen-Jing; Gavrilov, Konstantin Nikolaevich; Lu, Liang-Qiu","Pd-catalyzed asymmetric (6+2) dipolar cyclization for medium-sized spirooxindoles.","Chemical communications (Cambridge, England)","2025","61","64","12030","12033","10.1039/d5cc02323h","","x-ray","1.34139","Synchrotron","GaKα","0.0439","0.0387","","","0.1034","0.1244","","","","","","1.194","","","","has coordinates","302440","2025-10-06","07:06:44",""
"7134827","7.4802","0.0004","13.004","0.0006","17.2546","0.0009","90","","92.2247","0.0019","90","","1677.13","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","2","","Xiao, Yu-Qing; Li, Zi-Qing; Hu, Fang; Li, Tian-Yu; Zhou, Zheng-Xin; Zhang, Zhihan; Tan, Ying; Xiao, Wen-Jing; Gavrilov, Konstantin Nikolaevich; Lu, Liang-Qiu","Pd-catalyzed asymmetric (6+2) dipolar cyclization for medium-sized spirooxindoles.","Chemical communications (Cambridge, England)","2025","61","64","12030","12033","10.1039/d5cc02323h","","","1.34139","GaKα","","0.0526","0.0495","","","0.1306","0.1395","","","","","","1.184","","","","has coordinates","302440","2025-10-06","07:06:44",""
"7134828","6.7817","0.0004","8.2331","0.0005","31.286","0.002","90","","90","","90","","1746.84","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Xiao, Yu-Qing; Li, Zi-Qing; Hu, Fang; Li, Tian-Yu; Zhou, Zheng-Xin; Zhang, Zhihan; Tan, Ying; Xiao, Wen-Jing; Gavrilov, Konstantin Nikolaevich; Lu, Liang-Qiu","Pd-catalyzed asymmetric (6+2) dipolar cyclization for medium-sized spirooxindoles.","Chemical communications (Cambridge, England)","2025","61","64","12030","12033","10.1039/d5cc02323h","","","1.34139","GaKα","","0.0624","0.0611","","","0.148","0.1487","","","","","","1.188","","","","has coordinates","302440","2025-10-06","07:06:44",""
"7134829","3.6169","0.0006","19.782","0.003","11.752","0.002","90","","94.717","0.007","90","","838","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N8 O -","- C6 H10 N8 O -","- C24 H40 N32 O4 -","4","1","","Wang, Yaxi; Liu, Junliang; He, Jinxuan; Ren, Xiaoting; Hu, Lu; Pang, Siping","Tetraamino-driven hydrogen-bonded networks: selective self-assembly of energetic materials.","Chemical communications (Cambridge, England)","2025","61","71","13433","13436","10.1039/d5cc02653a","","","0.71073","MoKα","","0.1288","0.0626","","","0.1301","0.1634","","","","","","1.049","","","","has coordinates","302444","2025-10-06","07:08:05",""
"7134830","27.527","0.004","3.8158","0.0005","21.717","0.003","90","","128.059","0.004","90","","1796.1","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H9 Cl N8 -","- C6 H9 Cl N8 -","- C48 H72 Cl8 N64 -","8","1","","Wang, Yaxi; Liu, Junliang; He, Jinxuan; Ren, Xiaoting; Hu, Lu; Pang, Siping","Tetraamino-driven hydrogen-bonded networks: selective self-assembly of energetic materials.","Chemical communications (Cambridge, England)","2025","61","71","13433","13436","10.1039/d5cc02653a","","","0.71073","MoKα","","0.0856","0.0589","","","0.143","0.1627","","","","","","1.052","","","","has coordinates","302444","2025-10-06","07:08:05",""
"7134831","6.8415","0.0007","15.8632","0.0013","9.8345","0.0009","90","","92.574","0.003","90","","1066.24","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 Cl N8 O4 -","- C6 H9 Cl N8 O4 -","- C24 H36 Cl4 N32 O16 -","4","1","","Wang, Yaxi; Liu, Junliang; He, Jinxuan; Ren, Xiaoting; Hu, Lu; Pang, Siping","Tetraamino-driven hydrogen-bonded networks: selective self-assembly of energetic materials.","Chemical communications (Cambridge, England)","2025","61","71","13433","13436","10.1039/d5cc02653a","","","0.71073","MoKα","","0.0904","0.0608","","","0.1425","0.163","","","","","","1.021","","","","has coordinates","302444","2025-10-06","07:08:05",""
"7134832","12.3189","0.0016","8.9755","0.0011","28.721","0.004","90","","90","","90","","3175.6","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl N O2 -","- C18 H18 Cl N O2 -","- C144 H144 Cl8 N8 O16 -","8","1","","Xian, Ning; Yin, Jiang; Ji, Xiaochen; Huang, Huawen","Sulfoxonium ylides as carbon radical precursors in three-component carbohalogenation of alkenes","Chemical Communications","2025","","","","","10.1039/D5CC02855H","","","1.34139","GaKα","","0.064","0.059","","","0.1397","0.1425","","","","","","1.115","","","","has coordinates","301250","2025-07-14","21:56:09",""
"7134833","9.1913","0.0002","23.5634","0.0004","11.1335","0.0002","90","","101.65","0.002","90","","2361.6","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 Cl N2 O2 -","- C30 H21 Cl N2 O2 -","- C120 H84 Cl4 N8 O8 -","4","1","","Bhumij, Mandweep; Ahamed, Rehan; Kant, Ruchir; Mudedla, Sathish Kumar; Srivastava, Ajay Kumar","Regioselective construction of pyrido[1,2,3-<i>de</i>]quinoxaline-2,5-diones through acid-mediated post-Ugi rearrangements.","Chemical communications (Cambridge, England)","2025","61","68","12757","12760","10.1039/d5cc02548f","","x-ray","1.54184","CuKα","","0.0576","0.0508","","","0.1546","0.1661","","","","","","1.08","","","","has coordinates","302469","2025-10-06","07:17:28",""
"7134834","8.1088","0.0001","14.0314","0.0002","36.966","0.0007","90","","90","","90","","4205.91","0.11","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H16 B2 F4 N4 -","- C26 H16 B2 F4 N4 -","- C208 H128 B16 F32 N32 -","8","1","","Nakano, Takeo; Yamada, Haruki; Inaba, Ryoto; Hamasaki, Atom; Takeda, Takashi; Ohta, Akira","Dimeric boron complexes bearing isoquinolyl-pyrrole ligands.","Chemical communications (Cambridge, England)","2025","61","64","11943","11946","10.1039/d5cc03519h","","x-ray","1.54184","CuKα","","0.0559","0.0439","","","0.0984","0.1038","","","","","","1.075","","","","has coordinates","302441","2025-10-06","07:06:56",""
"7134835","14.5261","0.0004","10.9889","0.0003","24.318","0.0007","90","","109.877","0.002","90","","3650.52","0.18","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C200 H136 N8 O16 -","8","1","","Suresh, Vavilapalli; Reddy, T. Mahipal; Nanubolu, Jagadeesh Babu; Reddy, Maddi Sridhar","Pd-catalyzed electrophilic cyclization/C-H annulation cascade of 1,8-diyne oxime ethers to access fused oxepines.","Chemical communications (Cambridge, England)","2025","61","66","12353","12356","10.1039/d5cc03700j","","","0.71073","MoKα","","0.1001","0.0478","","","0.1114","0.1418","","","","","","1.025","","","","has coordinates,has disorder","302454","2025-10-06","07:12:16",""
"7134836","10.8312","0.0004","11.1661","0.0004","12.4253","0.0005","101.941","0.001","98.68","0.001","112.734","0.001","1310.87","0.09","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H25 Br N2 O3 -","- C34 H25 Br N2 O3 -","- C68 H50 Br2 N4 O6 -","2","1","","Raza, Mohammad Saim; Roshani, K. M.; Peddinti, Rama Krishna","(4 + 3) Annulation of Enone-Tethered Indoles with α-Alkylidene Succinimides: Access to Seven-Membered Azepino[3,2,1-hi]Indole Scaffolds","Chemical Communications","2025","","","","","10.1039/D5CC02885J","","","0.71073","MoKα","","0.0313","0.0279","","","0.0673","0.069","","","","","","1.101","","","","has coordinates","301306","2025-07-21","21:57:24",""
"7134837","10.1577","0.0002","10.7731","0.0002","13.5579","0.0002","99.196","0.001","98.716","0.001","109.233","0.001","1349.24","0.04","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H27 Br N2 O4 -","- C35 H27 Br N2 O4 -","- C70 H54 Br2 N4 O8 -","2","1","","Raza, Mohammad Saim; Roshani, K. M.; Peddinti, Rama Krishna","(4 + 3) Annulation of Enone-Tethered Indoles with α-Alkylidene Succinimides: Access to Seven-Membered Azepino[3,2,1-hi]Indole Scaffolds","Chemical Communications","2025","","","","","10.1039/D5CC02885J","","","0.71073","MoKα","","0.0265","0.0241","","","0.0578","0.0589","","","","","","1.086","","","","has coordinates","301306","2025-07-21","21:57:25",""
"7134838","10.8268","0.0002","11.8871","0.0002","20.0235","0.0004","90","","91.459","0.001","90","","2576.17","0.08","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Br N2 O3 S -","- C32 H24 Br N2 O3 S -","- C128 H96 Br4 N8 O12 S4 -","4","1","","Raza, Mohammad Saim; Roshani, K. M.; Peddinti, Rama Krishna","(4 + 3) Annulation of Enone-Tethered Indoles with α-Alkylidene Succinimides: Access to Seven-Membered Azepino[3,2,1-hi]Indole Scaffolds","Chemical Communications","2025","","","","","10.1039/D5CC02885J","","","0.71073","MoKα","","0.0369","0.0361","","","0.1134","0.1143","","","","","","1.148","","","","has coordinates","301306","2025-07-21","21:57:26",""
"7134839","12.1417","0.0003","8.895","0.0002","12.7012","0.0003","90","","99.012","0.001","90","","1354.8","0.06","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","RKP_RR_A124_1419","","- C35 H27 Br N2 O3 -","- C35 H27 Br N2 O3 -","- C70 H54 Br2 N4 O6 -","2","1","","Raza, Mohammad Saim; Roshani, K. M.; Peddinti, Rama Krishna","(4 + 3) Annulation of Enone-Tethered Indoles with α-Alkylidene Succinimides: Access to Seven-Membered Azepino[3,2,1-hi]Indole Scaffolds","Chemical Communications","2025","","","","","10.1039/D5CC02885J","","","0.71073","MoKα","","0.0333","0.0317","","","0.0796","0.0805","","","","","","1.024","","","","has coordinates","301306","2025-07-21","21:57:26",""
"7134840","9.1403","0.0001","9.6457","0.0001","11.8785","0.0002","102.168","0.001","101.295","0.001","90.935","0.001","1002.09","0.02","100","","100","","","","","","","","","5","P 1","P 1","1","","(3R,3aR,6R,11aS)-3-benzyl-9-phenyl-3a,6-dihydro-8H-6,11a-ethenothieno[2,3-c][1,2,4]triazolo[1,2-a][1,2]diazepine-2,8,10(3H,9H)-trione","","- C24 H19 N3 O3 S -","- C24 H19 N3 O3 S -","- C48 H38 N6 O6 S2 -","2","2","","Dybowska, Joanna; Przydacz, Artur; Olczyk, Weronika; Sieroń, Lesław; Skrzyńska, Anna; Albrecht, Łukasz","Divergent hetero-[8+<i>n</i>] higher order cycloadditions of tropothione and enals catalyzed by <i>N</i>-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2025","61","65","12119","12122","10.1039/d5cc02536b","","x-ray","1.54184","CuKα","","0.0259","0.0253","","","0.0671","0.069","","","","","","1.054","","","","has coordinates","302475","2025-10-06","07:19:41",""
"7134841","11.5801","0.0001","5.9732","0.0001","15.349","0.0001","90","","107.687","0.001","90","","1011.51","0.02","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(4S,4aR,4bS,5R,11S,11aR)-4,8-diphenyl-4,4a,4b,5-tetrahydro-7H,11H-5,11-ethenothiopyrano[2',3':1,3]cyclopropa[1,2-d][1,2,4]triazolo[1,2-a]pyridazine-2,7,9(3H,8H)-trione","","- C24 H19 N3 O3 S -","- C24 H19 N3 O3 S -","- C48 H38 N6 O6 S2 -","2","1","","Dybowska, Joanna; Przydacz, Artur; Olczyk, Weronika; Sieroń, Lesław; Skrzyńska, Anna; Albrecht, Łukasz","Divergent hetero-[8+<i>n</i>] higher order cycloadditions of tropothione and enals catalyzed by <i>N</i>-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2025","61","65","12119","12122","10.1039/d5cc02536b","","x-ray","1.54184","CuKα","","0.0283","0.0282","","","0.0752","0.0753","","","","","","1.069","","","","has coordinates","302475","2025-10-06","07:19:42",""
"7134842","13.9164","0.0003","6.0808","0.0001","22.0969","0.0005","90","","104.013","0.001","90","","1814.26","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Fe N S2 -","- C21 H19 Fe N S2 -","- C84 H76 Fe4 N4 S8 -","4","1","","Sharma, Deepak; Tomar, Vijesh; Joshi, Raj K.","Synthesis of ferrocenyl/phenyl isothiazole-3-thione and isoselenazole-3-selenone as new heterocycles.","Chemical communications (Cambridge, England)","2025","61","73","13964","13967","10.1039/d5cc03270a","","","0.71073","MoKα","","0.0286","0.0269","","","0.0717","0.0729","","","","","","1.029","","","","has coordinates","302405","2025-10-06","06:53:15",""
"7134843","6.4648","0.0003","12.1663","0.0005","17.1617","0.0007","90","","90","","90","","1349.81","0.1","193","","193","","","","","","","","","4","F m m m","-F 2 2","69","","","","- Co H16 N10 O8 -","- Co H16 N10 O8 -","- Co4 H64 N40 O32 -","4","0.125","","Zhao, Feng; Gu, Ziyan; Song, Bin; Ju, Xuehai; Hu, Bingcheng; Zhang, Chong","Electrosynthesis of a <i>cyclo</i>-N<sub>5</sub><sup>-</sup> anion <i>via</i> TEMPO-mediated selective C-N bond cleavage in aryl-pentazole.","Chemical communications (Cambridge, England)","2025","61","68","12725","12728","10.1039/d5cc02899j","","","1.54178","CuKα","","0.027","0.027","","","0.0739","0.0739","","","","","","1.173","","","","has coordinates","302472","2025-10-06","07:18:47",""
"7134844","14.2794","0.0011","4.2726","0.0003","22.8872","0.0018","90","","100.816","0.003","90","","1371.55","0.18","298.33","","298.33","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Basak, Soumya Jyoti; Dash, Jyotirmayee","KOtBu-Mediated Annulation for the Pot-Economical Synthesis of Quinazolinobenzoxazepines","Chemical Communications","2025","","","","","10.1039/D5CC02401C","","x-ray","0.71073","MoKα","","0.0765","0.0453","","","0.1061","0.1298","","","","","","1.031","","","","has coordinates","301329","2025-07-22","21:54:09",""
"7134845","15.052","0.003","22.635","0.005","4.2116","0.0008","90","","90","","90","","1434.9","0.5","160.01","","160.01","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","","Basak, Soumya Jyoti; Dash, Jyotirmayee","KOtBu-Mediated Annulation for the Pot-Economical Synthesis of Quinazolinobenzoxazepines","Chemical Communications","2025","","","","","10.1039/D5CC02401C","","x-ray","0.71073","MoKα","","0.1261","0.0702","","","0.1627","0.2181","","","","","","1.167","","","","has coordinates","301329","2025-07-22","21:54:10",""
"7134846","6.6796","0.0003","34.3789","0.0012","48.7726","0.0017","90","","90.958","0.002","90","","11198.4","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C108 H78 F36 N6 P6 -","- C112 H84 F36 N8 P6 -","- C448 H336 F144 N32 P24 -","4","1","","Yu, Yang; Song, Xiaowen; Li, Yawen; Wang, Pingxia; Cheng, Lin; Yang, Ying; He, Gang; Cao, Liping","Angle-controlled synthesis and redox properties of a tetraphenylethene-based hexacationic triangular macrocycle.","Chemical communications (Cambridge, England)","2025","61","70","13193","13196","10.1039/d5cc03589a","","x-ray","1.54178","CuKα","","0.1975","0.124","","","0.2802","0.3086","","","","","","1.038","","","","has coordinates,has disorder","302400","2025-10-06","06:50:23",""
"7134847","3.6563","0.0002","7.4254","0.0004","10.3507","0.0005","90","","94.82","0.005","90","","280.02","0.03","99.98","0.1","99.98","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4,5,8-Tetraazanaphthalene","","- C6 H4 N4 -","- C6 H4 N4 -","- C12 H8 N8 -","2","0.5","","Deshapriya, Saroshan; Demir, Selvan","Isolation of 1,4,5,8-tetraazanaphthalene radicals.","Chemical communications (Cambridge, England)","2025","61","66","12301","12304","10.1039/d5cc03096j","","x-ray","1.54184","CuKα","","0.043","0.0411","","","0.1116","0.1139","","","","","","1.098","","","","has coordinates","302452","2025-10-06","07:11:31",""
"7134848","8.2265","0.0004","8.5426","0.0003","9.0649","0.0004","74.121","0.003","65.614","0.004","66.262","0.004","526.7","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 K N4 O6 -","- C18 H28 K N4 O6 -","- C18 H28 K N4 O6 -","1","0.5","","Deshapriya, Saroshan; Demir, Selvan","Isolation of 1,4,5,8-tetraazanaphthalene radicals.","Chemical communications (Cambridge, England)","2025","61","66","12301","12304","10.1039/d5cc03096j","","x-ray","1.54184","CuKα","","0.0298","0.0296","","","0.0789","0.079","","","","","","1.093","","","","has coordinates","302452","2025-10-06","07:11:31",""
"7134849","13.1139","0.0001","14.3079","0.0001","19.8832","0.0001","93.405","0.001","108.729","0.001","111.474","0.001","3220.98","0.05","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H94 K2 N12 O15 -","- C54 H94 K2 N12 O15 -","- C108 H188 K4 N24 O30 -","2","1","","Deshapriya, Saroshan; Demir, Selvan","Isolation of 1,4,5,8-tetraazanaphthalene radicals.","Chemical communications (Cambridge, England)","2025","61","66","12301","12304","10.1039/d5cc03096j","","x-ray","1.54184","CuKα","","0.0519","0.0485","","","0.1304","0.1333","","","","","","1.079","","","","has coordinates,has disorder","302452","2025-10-06","07:11:31",""
"7134850","8.9258","0.0009","10.9738","0.0011","18.096","0.002","98.894","0.004","99.456","0.004","96.569","0.004","1709.5","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C32 H38 Cl2 N2 O Ru -","- C32 H38 Cl2 N2 O Ru -","- C64 H76 Cl4 N4 O2 Ru2 -","2","1","","Casalta, Clément; Roisnel, Thierry; Jazzar, Rodolphe; Doppiu, Angelino; Mauduit, Marc","<i>N</i>-hydrazine cyclic(amino)(alkyl)carbene ruthenium complexes: synthesis and reactivity in olefin metathesis.","Chemical communications (Cambridge, England)","2025","61","70","13169","13172","10.1039/d5cc03776j","","x-ray","0.71073","MoKα","","0.0591","0.0507","","","0.134","0.1406","","","","","","0.995","","","","has coordinates","302399","2025-10-06","06:50:05",""
"7134851","10.1271","0.0018","15.252","0.002","15.567","0.002","106.892","0.011","100.26","0.013","100.908","0.013","2188.5","0.6","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H52 Cl2 N2 -","- C55 H52 Cl2 N2 -","- C110 H104 Cl4 N4 -","2","1","","Yang, Wenyan; Li, Lele; Xue, Xinlei; Deng, Shengyong; Wei, Peifa","Positional isomerism-directed formation of hydrogen-bonded organic frameworks with distinct single-crystal transformation pathways.","Chemical communications (Cambridge, England)","2025","61","70","13113","13116","10.1039/d5cc03678j","","","1.54178","CuKα","","0.0607","0.0498","","","0.1243","0.1342","","","","","","1.036","","","","has coordinates","302401","2025-10-06","06:51:04",""
"7134852","10.004","0.0002","15.3041","0.0002","16.1113","0.0003","107.88","0.002","102.522","0.002","99.296","0.002","2221.55","0.08","293","2","293","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H51 Cl3 N2 -","- C55 H51 Cl3 N2 -","- C110 H102 Cl6 N4 -","2","1","","Yang, Wenyan; Li, Lele; Xue, Xinlei; Deng, Shengyong; Wei, Peifa","Positional isomerism-directed formation of hydrogen-bonded organic frameworks with distinct single-crystal transformation pathways.","Chemical communications (Cambridge, England)","2025","61","70","13113","13116","10.1039/d5cc03678j","","","1.54184","CuKα","","0.0567","0.0513","","","0.1376","0.1419","","","","","","1.037","","","","has coordinates","302401","2025-10-06","06:51:06",""
"7134853","9.8151","0.0002","15.4638","0.0003","16.0395","0.0003","105.292","0.002","91.583","0.002","107.284","0.002","2227.33","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H51 Cl3 N2 -","- C55 H51 Cl3 N2 -","- C110 H102 Cl6 N4 -","2","1","","Yang, Wenyan; Li, Lele; Xue, Xinlei; Deng, Shengyong; Wei, Peifa","Positional isomerism-directed formation of hydrogen-bonded organic frameworks with distinct single-crystal transformation pathways.","Chemical communications (Cambridge, England)","2025","61","70","13113","13116","10.1039/d5cc03678j","","","1.54184","CuKα","","0.0809","0.0687","","","0.1761","0.1836","","","","","","0.937","","","","has coordinates","302401","2025-10-06","06:51:06",""
"7134854","9.6914","0.0004","15.3962","0.0006","16.3741","0.0006","105.062","0.003","90.118","0.003","107.315","0.003","2243.97","0.16","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 N O -","- C29 H29 N O -","- C116 H116 N4 O4 -","4","2","","Yang, Wenyan; Li, Lele; Xue, Xinlei; Deng, Shengyong; Wei, Peifa","Positional isomerism-directed formation of hydrogen-bonded organic frameworks with distinct single-crystal transformation pathways.","Chemical communications (Cambridge, England)","2025","61","70","13113","13116","10.1039/d5cc03678j","","","1.54186","CuKα","","0.1061","0.0608","","","0.1512","0.1756","","","","","","0.939","","","","has coordinates,has disorder","302401","2025-10-06","06:51:06",""
"7134855","11.033","0.0002","16.7127","0.0003","22.0929","0.0006","90","","95.145","0.002","90","","4057.32","0.15","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 N2 -","- C54 H50 N2 -","- C216 H200 N8 -","4","1","","Yang, Wenyan; Li, Lele; Xue, Xinlei; Deng, Shengyong; Wei, Peifa","Positional isomerism-directed formation of hydrogen-bonded organic frameworks with distinct single-crystal transformation pathways.","Chemical communications (Cambridge, England)","2025","61","70","13113","13116","10.1039/d5cc03678j","","","1.54184","CuKα","","0.1342","0.1184","","","0.2544","0.2738","","","","","","1.086","","","","has coordinates,has disorder","302401","2025-10-06","06:51:06",""
"7134856","9.752","0.0003","15.4169","0.0005","15.7126","0.0005","103.388","0.002","92.384","0.002","106.529","0.002","2188.48","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H52 Cl2 N2 -","- C55 H52 Cl2 N2 -","- C110 H104 Cl4 N4 -","2","1","","Yang, Wenyan; Li, Lele; Xue, Xinlei; Deng, Shengyong; Wei, Peifa","Positional isomerism-directed formation of hydrogen-bonded organic frameworks with distinct single-crystal transformation pathways.","Chemical communications (Cambridge, England)","2025","61","70","13113","13116","10.1039/d5cc03678j","","","1.54178","CuKα","","0.082","0.0619","","","0.1664","0.1843","","","","","","1.043","","","","has coordinates,has disorder","302401","2025-10-06","06:51:06",""
"7134857","9.8175","0.0003","15.0293","0.0009","15.4757","0.0007","100.086","0.004","106.629","0.004","93.275","0.004","2140.17","0.18","120","0.1","120.15","","","","","","","","","4","P -1","-P 1","2","","","","- C54.05 H50.1 Cl0.1 N2 -","- C54.05 H50.1 Cl0.1 N2 -","- C108.1 H100.2 Cl0.2 N4 -","2","1","","Yang, Wenyan; Li, Lele; Xue, Xinlei; Deng, Shengyong; Wei, Peifa","Positional isomerism-directed formation of hydrogen-bonded organic frameworks with distinct single-crystal transformation pathways.","Chemical communications (Cambridge, England)","2025","61","70","13113","13116","10.1039/d5cc03678j","","","1.54184","CuKα","","0.1076","0.0812","","","0.2263","0.2423","","","","","","1.039","","","","has coordinates,has disorder","302401","2025-10-06","06:51:06",""
"7134858","11.288","0.0004","11.9759","0.0004","15.6694","0.0005","74.666","0.003","84.43","0.003","85.549","0.003","2030.22","0.12","120.01","0.1","120.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C54 H50 N2 -","- C54 H50 N2 -","- C108 H100 N4 -","2","1","","Yang, Wenyan; Li, Lele; Xue, Xinlei; Deng, Shengyong; Wei, Peifa","Positional isomerism-directed formation of hydrogen-bonded organic frameworks with distinct single-crystal transformation pathways.","Chemical communications (Cambridge, England)","2025","61","70","13113","13116","10.1039/d5cc03678j","","x-ray","1.54184","CuKα","","0.0556","0.0475","","","0.1191","0.1232","","","","","","1.035","","","","has coordinates","302401","2025-10-06","06:51:06",""
"7134859","9.7222","0.0008","15.4668","0.0009","16.2481","0.001","75.227","0.005","89.808","0.006","72.19","0.006","2241.9","0.3","195","100","195","100","","","","","","","","4","P -1","-P 1","2","","","","- C58 H58 N2 O2 -","- C58 H58 N2 O2 -","- C116 H116 N4 O4 -","2","1","","Yang, Wenyan; Li, Lele; Xue, Xinlei; Deng, Shengyong; Wei, Peifa","Positional isomerism-directed formation of hydrogen-bonded organic frameworks with distinct single-crystal transformation pathways.","Chemical communications (Cambridge, England)","2025","61","70","13113","13116","10.1039/d5cc03678j","","x-ray","1.54184","CuKα","","0.2453","0.1897","","","0.479","0.5264","","","","","","1.758","","","","has coordinates,has disorder","302401","2025-10-06","06:51:06",""
"7134860","11.0179","0.0001","16.7178","0.0002","22.0057","0.0003","90","","95.442","0.001","90","","4035.07","0.08","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 N2 -","- C54 H50 N2 -","- C216 H200 N8 -","4","1","","Yang, Wenyan; Li, Lele; Xue, Xinlei; Deng, Shengyong; Wei, Peifa","Positional isomerism-directed formation of hydrogen-bonded organic frameworks with distinct single-crystal transformation pathways.","Chemical communications (Cambridge, England)","2025","61","70","13113","13116","10.1039/d5cc03678j","","","1.54184","CuKα","","0.0526","0.0401","","","0.0997","0.1061","","","","","","1.037","","","","has coordinates","302401","2025-10-06","06:51:06",""
"7134861","9.7849","0.0003","15.3986","0.0004","15.4296","0.0005","101.789","0.003","92.489","0.003","106.18","0.003","2173.17","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H54 N2 O -","- C56 H54 N2 O -","- C112 H108 N4 O2 -","2","1","","Yang, Wenyan; Li, Lele; Xue, Xinlei; Deng, Shengyong; Wei, Peifa","Positional isomerism-directed formation of hydrogen-bonded organic frameworks with distinct single-crystal transformation pathways.","Chemical communications (Cambridge, England)","2025","61","70","13113","13116","10.1039/d5cc03678j","","","1.54184","CuKα","","0.0931","0.0702","","","0.2241","0.2509","","","","","","0.98","","","","has coordinates,has disorder","302401","2025-10-06","06:51:06",""
"7134862","14.5881","0.00008","15.94377","0.00008","26.82398","0.00014","90","","102.209","0.0005","90","","6097.85","0.06","99.99","0.1","99.99","0.1","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C122.5 H136 Ag4 Cl2 F12 O1.5 P8 Pt Sb2 -","- C122.5 H136 Ag4 Cl2 F12 O1.5 P8 Pt Sb2 -","- C245 H272 Ag8 Cl4 F24 O3 P16 Pt2 Sb4 -","2","1","","Zhang, Yujie; Jia, Hongli; Yan, Bingzheng; Hou, Jian; Guo, Huifang; Li, Qi; Xin, Chengrui; Li, Simin; Dong, Jinrun; Shen, Hui","One-pot synthesis of atomically precise chiral PtAg<sub>4</sub> nanoclusters.","Chemical communications (Cambridge, England)","2025","61","72","13691","13694","10.1039/d5cc03572d","","x-ray","1.54184","CuKα","","0.0344","0.034","","","0.0899","0.0901","","","","","","1.024","","","","has coordinates,has disorder","302463","2025-10-06","07:15:29",""
"7134863","14.5524","0.0001","15.9421","0.0001","26.8018","0.0002","90","","102.05","0.001","90","","6080.9","0.08","100","0.1","100","0.1","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C122.5 H136 Ag4 Cl2 F12 O1.5 P8 Pt Sb2 -","- C122.5 H136 Ag4 Cl2 F12 O1.5 P8 Pt Sb2 -","- C245 H272 Ag8 Cl4 F24 O3 P16 Pt2 Sb4 -","2","1","","Zhang, Yujie; Jia, Hongli; Yan, Bingzheng; Hou, Jian; Guo, Huifang; Li, Qi; Xin, Chengrui; Li, Simin; Dong, Jinrun; Shen, Hui","One-pot synthesis of atomically precise chiral PtAg<sub>4</sub> nanoclusters.","Chemical communications (Cambridge, England)","2025","61","72","13691","13694","10.1039/d5cc03572d","","x-ray","1.54184","CuKα","","0.0407","0.0391","","","0.102","0.1032","","","","","","1.025","","","","has coordinates,has disorder","302463","2025-10-06","07:15:30",""
"7134864","8.9734","0.0012","8.9734","0.0012","41.816","0.008","90","","90","","90","","3367.1","0.9","150","","150","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","SUM-16","","- C22.8 H39.2 N4 O14.8 Zr -","- C16 H12 N4 O8 Zr -","- C64 H48 N16 O32 Zr4 -","4","0.25","","Shao, Zhen-Wu; Qiu, Yuqing; Xiong, Chaozhi; Liu, Chong","Isomerism and transformation of Zr-hydroxamate metal-organic frameworks.","Chemical communications (Cambridge, England)","2025","61","69","12960","12963","10.1039/d5cc03911h","","x-ray","1.34139","GaKα","","0.0424","0.0404","","","0.117","0.1184","","","","","","1.132","","","","has coordinates,has disorder","302431","2025-10-06","07:03:45",""
"7134865","25.7241","0.0018","38.687","0.003","17.6068","0.0013","90","","90","","90","","17522","2","296.15","","296.15","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","SUM-17","","- C21.8 H32.2 Cl2 N6.6 O8.6 Zr -","- C20 H28 Cl2 N6 O8 Zr -","- C320 H448 Cl32 N96 O128 Zr16 -","16","1","","Shao, Zhen-Wu; Qiu, Yuqing; Xiong, Chaozhi; Liu, Chong","Isomerism and transformation of Zr-hydroxamate metal-organic frameworks.","Chemical communications (Cambridge, England)","2025","61","69","12960","12963","10.1039/d5cc03911h","","x-ray","0.71073","MoKα","","0.1064","0.0853","","","0.1987","0.2089","","","","","","1.094","","","","has coordinates,has disorder","302431","2025-10-06","07:03:46",""
"7134866","21.2453","0.0007","13.3608","0.0004","36.5986","0.0012","90","","95.41","0.003","90","","10342.4","0.6","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Gross5R (Sachin)","","","- C61 H50 Co N4 O6 P -","- C61 H50 Co N4 O6 P -","- C488 H400 Co8 N32 O48 P8 -","8","2","","Kumar, Sachin; Fernández, Sergio; Saltsman, Irena; Fridman, Natalia; Mahammed, Atif; Miller, Alexander J. M.; Gross, Zeev","Substituents effects on the electrocatalytic CO<sub>2</sub> reduction by cobalt corroles in solution.","Chemical communications (Cambridge, England)","2025","61","69","12924","12927","10.1039/d5cc02717a","","","0.71073","MoKα","","0.1704","0.0897","","","0.1332","0.1557","","","","","","0.998","","","","has coordinates","302430","2025-10-06","07:03:10",""
"7134867","23.9044","0.0005","10.7288","0.0002","26.6966","0.0009","90","","90","","90","","6846.8","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Gross121R (Sachin Kumar)","","","- C157 H82 Cl2 F40 N16 O8 -","- C157 H82 Cl2 F40 N16 O8 -","- C314 H164 Cl4 F80 N32 O16 -","2","0.25","","Kumar, Sachin; Fernández, Sergio; Saltsman, Irena; Fridman, Natalia; Mahammed, Atif; Miller, Alexander J. M.; Gross, Zeev","Substituents effects on the electrocatalytic CO<sub>2</sub> reduction by cobalt corroles in solution.","Chemical communications (Cambridge, England)","2025","61","69","12924","12927","10.1039/d5cc02717a","","","1.54184","CuKα","","0.0953","0.0811","","","0.2056","0.2163","","","","","","1.103","","","","has coordinates,has disorder","302430","2025-10-06","07:03:18",""
"7134868","13.6776","0.0014","8.8101","0.0006","14.5699","0.0014","90","","113.281","0.012","90","","1612.7","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 F2 Fe K N8 -","- C10 H14 F2 Fe K N8 -","- C40 H56 F8 Fe4 K4 N32 -","4","0.5","","Ji, Luan-Ying; Zhou, Jun-Si; Liu, Shu-Yi; Qin, Yan; Lv, Hui-Peng; Chen, Xiao-Gang","Effective enhancement of mechanical properties <i>via</i> H/F substitution in 3D cyanide hybrid perovskites.","Chemical communications (Cambridge, England)","2025","61","70","13165","13168","10.1039/d5cc03229f","","","1.54184","CuKα","","0.136","0.1061","","","0.2653","0.2937","","","","","","1.037","","","","has coordinates,has disorder","302402","2025-10-06","06:51:47",""
"7134869","11.715","0.0001","11.715","0.0001","11.715","0.0001","90","","90","","90","","1607.78","0.02","272.99","0.1","272.99","0.1","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C10 H14 F2 Fe K N8 -","- C10.0002 H14.0016 F2.0004 Fe K N8.0004 -","- C40.0008 H56.0064 F8.0016 Fe4 K4 N32.0016 -","4","0.166667","","Ji, Luan-Ying; Zhou, Jun-Si; Liu, Shu-Yi; Qin, Yan; Lv, Hui-Peng; Chen, Xiao-Gang","Effective enhancement of mechanical properties <i>via</i> H/F substitution in 3D cyanide hybrid perovskites.","Chemical communications (Cambridge, England)","2025","61","70","13165","13168","10.1039/d5cc03229f","","x-ray","1.54184","CuKα","","0.0942","0.0941","","","0.2179","0.218","","","","","","1.03","","","","has coordinates,has disorder","302402","2025-10-06","06:51:53",""
"7134870","11.8392","0.0004","11.8392","0.0004","11.8392","0.0004","90","","90","","90","","1659.46","0.1","423","2","423","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C20 H28 F4 Fe2 K2 N16 -","- C20.0064 H28.0224 F4.0032 Fe2 K2 N16.0032 -","- C40.0128 H56.0448 F8.0064 Fe4 K4 N32.0064 -","2","0.0104167","","Ji, Luan-Ying; Zhou, Jun-Si; Liu, Shu-Yi; Qin, Yan; Lv, Hui-Peng; Chen, Xiao-Gang","Effective enhancement of mechanical properties <i>via</i> H/F substitution in 3D cyanide hybrid perovskites.","Chemical communications (Cambridge, England)","2025","61","70","13165","13168","10.1039/d5cc03229f","","","1.54184","CuKα","","0.0797","0.0795","","","0.2112","0.2131","","","","","","1.154","","","","has coordinates,has disorder","302402","2025-10-06","06:51:53",""
"7134871","11.7509","0.0001","11.7509","0.0001","11.7509","0.0001","90","","90","","90","","1622.61","0.02","323","2","323.15","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C10 H14 F2 Fe K N8 -","- C10.0002 H14.0016 F2.0004 Fe K N8.0004 -","- C40.0008 H56.0064 F8.0016 Fe4 K4 N32.0016 -","4","0.166667","","Ji, Luan-Ying; Zhou, Jun-Si; Liu, Shu-Yi; Qin, Yan; Lv, Hui-Peng; Chen, Xiao-Gang","Effective enhancement of mechanical properties <i>via</i> H/F substitution in 3D cyanide hybrid perovskites.","Chemical communications (Cambridge, England)","2025","61","70","13165","13168","10.1039/d5cc03229f","","","1.54178","CuKα","","0.0548","0.0454","","","0.1167","0.1244","","","","","","1.024","","","","has coordinates,has disorder","302402","2025-10-06","06:51:53",""
"7134872","10.52568","0.00011","20.80933","0.00019","12.23495","0.00012","90","","96.5124","0.0009","90","","2662.56","0.05","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 N2 O4 -","- C31 H34 N2 O4 -","- C124 H136 N8 O16 -","4","1","","Li, Xin-Yu; Xiao, Mei-Qiu; Zhou, Li-Juan; Zhang, Jia-Qi; Zhao, Meng-Yan; Wang, Shuo-Wen; Tang, Shi","Nickel-catalyzed sequential 1,2-<i>N</i>-migration/BCBs ring-opening to access spirocyclobutyl β-amino acid esters.","Chemical communications (Cambridge, England)","2025","61","71","13473","13476","10.1039/d5cc03029c","","x-ray","1.54184","CuKα","","0.047","0.0448","","","0.1123","0.1138","","","","","","1.049","","","","has coordinates","302451","2025-10-06","07:11:03",""
"7134873","18.3859","0.0007","8.7208","0.0003","11.3513","0.0004","90","","101.037","0.002","90","","1786.4","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Wu, Qing; Han, Yingna; Tang, Tian; Zhang, Shuwei; Yu, Xiuzhao; Zhao, Guofeng; Hu, Weiming; Wang, Lei","Palladium-catalyzed tandem cyclization reaction: access to isoxazoline-benzofuran bis-heterocycles.","Chemical communications (Cambridge, England)","2025","61","69","12928","12931","10.1039/d5cc02682b","","","1.54184","CuKα","","0.0762","0.0614","","","0.1636","0.1839","","","","","","1.024","","","","has coordinates","302432","2025-10-06","07:04:01",""
"7134874","5.7514","0.0008","10.0954","0.0016","22.139","0.004","101.995","0.012","91.679","0.011","102.73","0.01","1222.7","0.3","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 N3 O4 -","- C29 H29 N3 O4 -","- C58 H58 N6 O8 -","2","1","","Guo, Jing; Yan, Maying; Xiao, Lei; Li, Jiajie; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","C(sp<sup>3</sup>)-H functionalization of <i>N</i>-protected dialkylpyrrole derivatives with azodicarboxylates.","Chemical communications (Cambridge, England)","2025","61","72","13659","13662","10.1039/d5cc03254g","","","1.54178","CuKα","","0.0956","0.0698","","","0.1762","0.1956","","","","","","1.051","","","","has coordinates","302465","2025-10-06","07:16:14",""
"7134875","9.0344","0.0002","10.3333","0.0002","21.6961","0.0006","90","","90","","90","","2025.44","0.08","300","","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Cl3 N2 O2 -","- C20 H17 Cl3 N2 O2 -","- C80 H68 Cl12 N8 O8 -","4","1","","Guo, Jing; Yan, Maying; Xiao, Lei; Li, Jiajie; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","C(sp<sup>3</sup>)-H functionalization of <i>N</i>-protected dialkylpyrrole derivatives with azodicarboxylates.","Chemical communications (Cambridge, England)","2025","61","72","13659","13662","10.1039/d5cc03254g","","","1.54178","CuKα","","0.0581","0.0453","","","0.1151","0.1257","","","","","","1.061","","","","has coordinates","302465","2025-10-06","07:16:17",""
"7134876","14.0792","0.0004","20.6051","0.0006","9.7661","0.0003","90","","98.84","0.001","90","","2799.52","0.14","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 N3 O4 -","- C32 H35 N3 O4 -","- C128 H140 N12 O16 -","4","1","","Guo, Jing; Yan, Maying; Xiao, Lei; Li, Jiajie; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","C(sp<sup>3</sup>)-H functionalization of <i>N</i>-protected dialkylpyrrole derivatives with azodicarboxylates.","Chemical communications (Cambridge, England)","2025","61","72","13659","13662","10.1039/d5cc03254g","","","1.54178","CuKα","","0.0392","0.0363","","","0.0958","0.0981","","","","","","1.046","","","","has coordinates","302465","2025-10-06","07:16:17",""
"7134877","14.0616","0.0002","16.111","0.0002","32.035","0.0005","90","","96.228","0.002","90","","7214.58","0.18","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H98 N9 O10 P -","- C70 H98 N9 O10 P -","- C280 H392 N36 O40 P4 -","4","1","","Oh, Ju Hyun; Shin, Sang Kyu; Kim, Sung Kuk","A calix[4]pyrrole functionalized with an amidoindole ester for the selective recognition of the dihydrogen phosphate anion.","Chemical communications (Cambridge, England)","2025","61","71","13425","13428","10.1039/d5cc03617h","","x-ray","0.97741","synchrotron","","0.0553","0.0513","","","0.1405","0.1468","","","","","","1.075","","","","has coordinates","302445","2025-10-06","07:08:24",""
"7134878","24.2502","0.0004","24.2502","0.0004","7.1744","0.0002","90","","90","","120","","3653.82","0.13","200","","200","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C9 H11 N O -","- C9 H11 N O -","- C162 H198 N18 O18 -","18","1","","Cheng, Long; Nian, Cuicui; Han, Zhengyu; Sun, Jianwei; Huang, Hai","Diastereoselective synthesis of 1,4-diaryl piperazines through the dimerization of 3-aminooxetanes with cooperative indium-diphenyl phosphate catalysis.","Chemical communications (Cambridge, England)","2025","61","71","13477","13480","10.1039/d5cc03616j","","","0.71073","MoKα","","0.045","0.0372","","","0.0933","0.0983","","","","","","1.022","","","","has coordinates","302447","2025-10-06","07:09:01",""
"7134879","15.887","0.008","9.64","0.005","16.117","0.008","90","","106.397","0.009","90","","2368","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 O4 P -","- C26 H33 O4 P -","- C104 H132 O16 P4 -","4","1","","Zheng, Yiyi; Wu, Mingxia; Sun, Shiyue; Zi, You; Sun, Fei; Wu, Xin-Xing","Divergent synthesis of alkylphosphonate-containing indanes and indenes <i>via</i> norbornene derivative-controlled palladium-catalyzed three-component systems.","Chemical communications (Cambridge, England)","2025","61","72","13687","13690","10.1039/d5cc03545g","","","0.71073","MoKα","","0.1229","0.065","","","0.1973","0.2545","","","","","","1.103","","","","has coordinates","302464","2025-10-06","07:15:51",""
"7134880","6.6003","0.001","12.096","0.0018","12.1302","0.0018","73.196","0.002","79.641","0.003","83.733","0.002","910.3","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H24 O -","- C24 H24 O -","- C48 H48 O2 -","2","1","","Zheng, Yiyi; Wu, Mingxia; Sun, Shiyue; Zi, You; Sun, Fei; Wu, Xin-Xing","Divergent synthesis of alkylphosphonate-containing indanes and indenes <i>via</i> norbornene derivative-controlled palladium-catalyzed three-component systems.","Chemical communications (Cambridge, England)","2025","61","72","13687","13690","10.1039/d5cc03545g","","","0.71073","MoKα","","0.1433","0.1278","","","0.4457","0.4995","","","","","","1.215","","","","has coordinates","302464","2025-10-06","07:15:53",""
"7134881","12.477","0.002","11.949","0.002","26.368","0.005","90","","98.411","0.003","90","","3888.9","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H58 O6 P2 -","- C39 H58 O6 P2 -","- C156 H232 O24 P8 -","4","0.5","","Zheng, Yiyi; Wu, Mingxia; Sun, Shiyue; Zi, You; Sun, Fei; Wu, Xin-Xing","Divergent synthesis of alkylphosphonate-containing indanes and indenes <i>via</i> norbornene derivative-controlled palladium-catalyzed three-component systems.","Chemical communications (Cambridge, England)","2025","61","72","13687","13690","10.1039/d5cc03545g","","","0.71073","MoKα","","0.0799","0.0641","","","0.1986","0.2159","","","","","","1.418","","","","has coordinates","302464","2025-10-06","07:15:53",""
"7134882","5.9207","0.0011","8.0892","0.0014","15.695","0.003","77.953","0.005","85.273","0.005","68.989","0.005","686.2","0.2","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C32 H28 N4 O4 -","2","1","","Huang, Jie; Ren, Weijie; Chen, Jiehao; Xiao, Xiangrong; Li, Jiaqi; Wang, Dongyi; Yu, Wanyue; Zhao, Juan; Chen, Xiuwen; Zhu, Zhongzhi","Three-component reaction of isocyanates and 3-aminoacrylates: selective synthesis of <i>N</i>-2-aryl-1,2,3-triazoles and hydrazones.","Chemical communications (Cambridge, England)","2025","61","72","13667","13670","10.1039/d5cc03602j","","","0.71073","MoKα","","0.1062","0.0521","","","0.1129","0.1399","","","","","","1.05","","","","has coordinates","302467","2025-10-06","07:16:43",""
"7134883","7.6925","0.0004","8.6622","0.0004","20.1522","0.0011","87.959","0.002","87.081","0.002","70.209","0.002","1261.63","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 F6 N2 O6 S2 Se -","- C22 H16 F6 N2 O6 S2 Se -","- C44 H32 F12 N4 O12 S4 Se2 -","2","1","","Kuczmera, Thomas J.; Puylaert, Pim; Wirth, Thomas; Nachtsheim, Boris J.","Imidazopyridine substituted cyclic selenonium(IV) salts as chalcogen bond catalysts.","Chemical communications (Cambridge, England)","2025","61","74","14169","14172","10.1039/d5cc04027b","","x-ray","0.71073","MoKα","","0.0688","0.051","","","0.1236","0.1321","","","","","","1.036","","","","has coordinates,has disorder","302428","2025-10-06","07:01:48",""
"7134884","8.7805","0.001","7.6704","0.0007","9.7607","0.0009","90","","90","","90","","657.38","0.11","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H8 N2 O2 S -","- C4 H8 N2 O2 S -","- C16 H32 N8 O8 S4 -","4","0.5","","Ali, Rojan; Matsui, Kai; Šadauskis, Jānis; Catherall, Amanda; Wirth, Thomas","Flow electrochemical oxidation of <i>N</i>-nitrosamines to <i>N</i>-nitramines.","Chemical communications (Cambridge, England)","2025","61","72","13671","13674","10.1039/d5cc03458b","","","1.54184","CuKα","","0.0463","0.0438","","","0.1224","0.1263","","","","","","1.099","","","","has coordinates","302466","2025-10-06","07:16:29",""
"7134885","6.0192","0.0006","19.1943","0.0019","11.0092","0.001","90","","92.078","0.008","90","","1271.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 N2 O2 -","- C12 H22 N2 O2 -","- C48 H88 N8 O8 -","4","1","","Ali, Rojan; Matsui, Kai; Šadauskis, Jānis; Catherall, Amanda; Wirth, Thomas","Flow electrochemical oxidation of <i>N</i>-nitrosamines to <i>N</i>-nitramines.","Chemical communications (Cambridge, England)","2025","61","72","13671","13674","10.1039/d5cc03458b","","","0.71073","MoKα","","0.1267","0.0701","","","0.1744","0.2056","","","","","","1.078","","","","has coordinates","302466","2025-10-06","07:16:31",""
"7134886","10.03","0.002","12.141","0.002","15.017","0.003","77.99","0.02","80.13","0.03","78.22","0.02","1735","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 B0.91 F15 Ga1.09 -","- C38 H32 B0.9076 F15 Ga1.0924 -","- C76 H64 B1.8152 F30 Ga2.1848 -","2","1","","Ding, Yi; Tang, Yongheng; Nazish, Mohd; Ruth, Paul Niklas; Wachendorf, Sophia Luisa; Herbst-Irmer, Regine; Stalke, Dietmar; Roesky, Herbert W.","1,2,4-Tri(<sup><i>t</i></sup>Bu)cyclopentadienyl gallium (Cp'''Ga) as a versatile reagent for the synthesis of Lewis adducts and ionic compounds.","Chemical communications (Cambridge, England)","2025","61","71","13441","13444","10.1039/d5cc03933a","","","0.71073","MoKα","","0.0358","0.0294","","","0.0676","0.0704","","","","","","1.038","","","","has coordinates,has disorder","302449","2025-10-06","07:10:14",""
"7134887","34.509","0.004","8.886","0.002","15.894","0.002","90","","111.02","0.02","90","","4549.5","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H29 B Ga I3 -","- C17 H29 B Ga I3 -","- C136 H232 B8 Ga8 I24 -","8","1","","Ding, Yi; Tang, Yongheng; Nazish, Mohd; Ruth, Paul Niklas; Wachendorf, Sophia Luisa; Herbst-Irmer, Regine; Stalke, Dietmar; Roesky, Herbert W.","1,2,4-Tri(<sup><i>t</i></sup>Bu)cyclopentadienyl gallium (Cp'''Ga) as a versatile reagent for the synthesis of Lewis adducts and ionic compounds.","Chemical communications (Cambridge, England)","2025","61","71","13441","13444","10.1039/d5cc03933a","","","0.71073","MoKα","","0.0408","0.0366","","","0.1025","0.1057","","","","","","1.053","","","","has coordinates","302449","2025-10-06","07:10:15",""
"7134888","16.896","0.004","13.081","0.003","35.577","0.009","90","","101.91","0.02","90","","7694","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H59 B Br4 Ga -","- C35 H59 B Br4 Ga -","- C280 H472 B8 Br32 Ga8 -","8","1","","Ding, Yi; Tang, Yongheng; Nazish, Mohd; Ruth, Paul Niklas; Wachendorf, Sophia Luisa; Herbst-Irmer, Regine; Stalke, Dietmar; Roesky, Herbert W.","1,2,4-Tri(<sup><i>t</i></sup>Bu)cyclopentadienyl gallium (Cp'''Ga) as a versatile reagent for the synthesis of Lewis adducts and ionic compounds.","Chemical communications (Cambridge, England)","2025","61","71","13441","13444","10.1039/d5cc03933a","","","0.71073","MoKα","","0.0605","0.0497","","","0.1159","0.1209","","","","","","1.13","","","","has coordinates,has disorder","302449","2025-10-06","07:10:15",""
"7134889","12.4656","0.0004","17.4511","0.0005","13.1482","0.0004","90","","95.936","0.003","90","","2844.9","0.15","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H30.5 B2 Fe N7.5 O -","- C29 H30.5 B2 Fe N7.5 O -","- C116 H122 B8 Fe4 N30 O4 -","4","1","","Becker, Jens-Georg; Sundaresan, Sriram; Carrella, Luca M.; Rentschler, Eva","Chirality without compromise: identical spin crossover behavior between the racemate and the enantiopure Fe(II) complexes.","Chemical communications (Cambridge, England)","2025","61","71","13389","13392","10.1039/d5cc03779d","","","0.71073","MoKα","","0.0934","0.0845","","","0.2025","0.2079","","","","","","1.184","","","","has coordinates,has disorder","302450","2025-10-06","07:10:46",""
"7134890","12.4966","0.0004","17.6717","0.0004","13.4291","0.0004","90","","94.771","0.002","90","","2955.36","0.15","220","","220","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H61 B4 Fe2 N15 O2 -","- C58 H61 B4 Fe2 N15 O2 -","- C116 H122 B8 Fe4 N30 O4 -","2","1","","Becker, Jens-Georg; Sundaresan, Sriram; Carrella, Luca M.; Rentschler, Eva","Chirality without compromise: identical spin crossover behavior between the racemate and the enantiopure Fe(II) complexes.","Chemical communications (Cambridge, England)","2025","61","71","13389","13392","10.1039/d5cc03779d","","","0.71073","MoKα","","0.1183","0.0858","","","0.2394","0.2701","","","","","","1.099","","","","has coordinates,has disorder","302450","2025-10-06","07:10:47",""
"7134891","12.4828","0.0003","17.4584","0.0003","13.1586","0.0003","90","","96.006","0.002","90","","2851.91","0.11","90","","90","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H61 B4 Fe2 N15 O2 -","- C58 H61 B4 Fe2 N15 O2 -","- C116 H122 B8 Fe4 N30 O4 -","2","1","","Becker, Jens-Georg; Sundaresan, Sriram; Carrella, Luca M.; Rentschler, Eva","Chirality without compromise: identical spin crossover behavior between the racemate and the enantiopure Fe(II) complexes.","Chemical communications (Cambridge, England)","2025","61","71","13389","13392","10.1039/d5cc03779d","","","0.71073","MoKα","","0.0962","0.0838","","","0.2155","0.2269","","","","","","1.115","","","","has coordinates,has disorder","302450","2025-10-06","07:10:47",""
"7134892","12.509","0.0004","17.4132","0.0005","13.1212","0.0004","90","","95.783","0.002","90","","2843.54","0.15","90","","90","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H61 B4 Fe2 N15 O2 -","- C58 H61 B4 Fe2 N15 O2 -","- C116 H122 B8 Fe4 N30 O4 -","2","1","","Becker, Jens-Georg; Sundaresan, Sriram; Carrella, Luca M.; Rentschler, Eva","Chirality without compromise: identical spin crossover behavior between the racemate and the enantiopure Fe(II) complexes.","Chemical communications (Cambridge, England)","2025","61","71","13389","13392","10.1039/d5cc03779d","","","0.71073","MoKα","","0.0987","0.0858","","","0.2265","0.2412","","","","","","1.038","","","","has coordinates,has disorder","302450","2025-10-06","07:10:47",""
"7134893","12.5019","0.0005","17.6496","0.0005","13.4172","0.0005","90","","94.69","0.003","90","","2950.64","0.18","220","","220","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H29.5 B2 Fe N7.5 O -","- C29 H29.5 B2 Fe N7.5 O -","- C116 H118 B8 Fe4 N30 O4 -","4","1","","Becker, Jens-Georg; Sundaresan, Sriram; Carrella, Luca M.; Rentschler, Eva","Chirality without compromise: identical spin crossover behavior between the racemate and the enantiopure Fe(II) complexes.","Chemical communications (Cambridge, England)","2025","61","71","13389","13392","10.1039/d5cc03779d","","","0.71073","MoKα","","0.1007","0.0777","","","0.2016","0.2156","","","","","","1.133","","","","has coordinates,has disorder","302450","2025-10-06","07:10:47",""
"7134894","12.5324","0.0002","17.6041","0.0003","13.3803","0.0003","90","","94.564","0.002","90","","2942.62","0.1","220","","223","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H61 B4 Fe2 N15 O2 -","- C58 H61 B4 Fe2 N15 O2 -","- C116 H122 B8 Fe4 N30 O4 -","2","1","","Becker, Jens-Georg; Sundaresan, Sriram; Carrella, Luca M.; Rentschler, Eva","Chirality without compromise: identical spin crossover behavior between the racemate and the enantiopure Fe(II) complexes.","Chemical communications (Cambridge, England)","2025","61","71","13389","13392","10.1039/d5cc03779d","","","0.71073","MoKα","","0.0631","0.0515","","","0.1397","0.1502","","","","","","1.041","","","","has coordinates,has disorder","302450","2025-10-06","07:10:47",""
"7134895","10.6587","0.0005","10.7075","0.0006","11.815","0.0004","78.288","0.004","74.899","0.004","61.067","0.005","1134.63","0.11","116.1","0.9","116.1","0.9","","","","","","","","7","P -1","-P 1","2","","","","- C25 H18 F3 N O3 S Se -","- C25 H18 F3 N O3 S Se -","- C50 H36 F6 N2 O6 S2 Se2 -","2","1","","Kurokawa, Takuma; Takahashi, Shintaro; Kano, Naokazu","<i>Se</i>-Aryl-<i>N</i>-phenylphenoselenazinium salts: aryl radical precursors incorporating a photosensitizer unit.","Chemical communications (Cambridge, England)","2025","61","75","14454","14457","10.1039/d5cc03637b","","x-ray","0.71073","MoKα","","0.066","0.0393","","","0.0669","0.0728","","","","","","1.02","","","","has coordinates","302426","2025-10-06","07:00:53",""
"7134896","10.3394","0.0002","10.4055","0.0003","11.5682","0.0003","83.126","0.002","88.202","0.002","79.76","0.002","1215.89","0.05","121","0.7","121","0.7","","","","","","","","7","P -1","-P 1","2","","","","- C25 H26 F3 N O4 S Se -","- C25 H26 F3 N O4 S Se -","- C50 H52 F6 N2 O8 S2 Se2 -","2","1","","Kurokawa, Takuma; Takahashi, Shintaro; Kano, Naokazu","<i>Se</i>-Aryl-<i>N</i>-phenylphenoselenazinium salts: aryl radical precursors incorporating a photosensitizer unit.","Chemical communications (Cambridge, England)","2025","61","75","14454","14457","10.1039/d5cc03637b","","x-ray","0.71073","MoKα","","0.0555","0.0433","","","0.1115","0.1166","","","","","","1.055","","","","has coordinates,has disorder","302426","2025-10-06","07:00:55",""
"7134897","12.7389","0.0005","12.6882","0.0004","21.5602","0.0007","90","","97.428","0.003","90","","3455.6","0.2","101","1","101","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 B2 F8 N3 Se2 -","- C38 H29 B2 F8 N3 Se2 -","- C152 H116 B8 F32 N12 Se8 -","4","1","","Kurokawa, Takuma; Takahashi, Shintaro; Kano, Naokazu","<i>Se</i>-Aryl-<i>N</i>-phenylphenoselenazinium salts: aryl radical precursors incorporating a photosensitizer unit.","Chemical communications (Cambridge, England)","2025","61","75","14454","14457","10.1039/d5cc03637b","","x-ray","0.71073","MoKα","","0.0916","0.047","","","0.0868","0.0985","","","","","","1.023","","","","has coordinates","302426","2025-10-06","07:00:55",""
"7134898","16.4287","0.0002","12.3488","0.0001","14.368","0.0002","90","","105.507","0.002","90","","2808.8","0.06","100.01","0.1","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl2 Cu2 N4 O12 -","- C24 H30 Cl2 Cu2 N4 O12 -","- C96 H120 Cl8 Cu8 N16 O48 -","4","1","","Xie, Xin-Ling; Chen, Feng; Wang, Wen-Wen; Lyu, Lei-Yan; Sun, Meng-Jiao; Zhang, Teng; Cao, Rong","Copper-based homometallic and heterometallic binuclear complexes for electrocatalytic CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2025","61","71","13485","13488","10.1039/d5cc04378f","","","1.3405","GaKα","","0.1055","0.0811","","","0.1756","0.188","","","","","","1.17","","","","has coordinates","302446","2025-10-06","07:08:44",""
"7134899","16.7242","0.0002","12.3653","0.0001","14.6102","0.0002","90","","105.631","0.001","90","","2909.65","0.06","293","2","293","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C24 H30 Cl2 Cu N4 Ni O12 -","- C24 H30 Cl2 Cu N4 Ni O12 -","- C96 H120 Cl8 Cu4 N16 Ni4 O48 -","4","2","","Xie, Xin-Ling; Chen, Feng; Wang, Wen-Wen; Lyu, Lei-Yan; Sun, Meng-Jiao; Zhang, Teng; Cao, Rong","Copper-based homometallic and heterometallic binuclear complexes for electrocatalytic CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2025","61","71","13485","13488","10.1039/d5cc04378f","","","1.54178","CuKα","","0.0395","0.0365","","","0.1006","0.1038","","","","","","1.044","","","","has coordinates,has disorder","302446","2025-10-06","07:08:45",""
"7134900","6.9285","0.0002","31.8012","0.001","34.4133","0.0011","90","","90","","90","","7582.4","0.4","293","2","293.15","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C21 H20 Cu N2 O4 -","- C21 H20 Cu N2 O4 -","- C336 H320 Cu16 N32 O64 -","16","0.5","","Xie, Xin-Ling; Chen, Feng; Wang, Wen-Wen; Lyu, Lei-Yan; Sun, Meng-Jiao; Zhang, Teng; Cao, Rong","Copper-based homometallic and heterometallic binuclear complexes for electrocatalytic CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2025","61","71","13485","13488","10.1039/d5cc04378f","","","1.54178","CuKα","","0.0825","0.0743","","","0.1","0.1011","","","","","","1.161","","","","has coordinates","302446","2025-10-06","07:08:45",""
"7134901","9.6012","0.0003","11.2838","0.0004","14.0602","0.0003","79.812","0.002","85.501","0.002","84.317","0.002","1488.98","0.08","100","2","100","","","","","","","","","7","P 1","P 1","1","","","","- C25 H32 Cl2 Co Cu N4 O12 -","- C25 H32 Cl2 Co Cu N4 O12 -","- C50 H64 Cl4 Co2 Cu2 N8 O24 -","2","2","","Xie, Xin-Ling; Chen, Feng; Wang, Wen-Wen; Lyu, Lei-Yan; Sun, Meng-Jiao; Zhang, Teng; Cao, Rong","Copper-based homometallic and heterometallic binuclear complexes for electrocatalytic CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2025","61","71","13485","13488","10.1039/d5cc04378f","","","0.71073","MoKα","","0.0456","0.0397","","","0.0893","0.0934","","","","","","1.044","","","","has coordinates","302446","2025-10-06","07:08:45",""
"7134902","15.521","0.0007","23.4518","0.001","20.2925","0.0009","90","","91","0.003","90","","7385.3","0.6","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Ru(py3tpy)2](PF6)2","","- C67 H60 F12 N12 O3 P2 Ru -","- C67 H56 F12 N12 O3 P2 Ru -","- C268 H224 F48 N48 O12 P8 Ru4 -","4","1","","Mercier, Gabriel M.; Rousset, Elodie; Oubaha, Ilyes; Bandyopadhyay, Kamalika; Pal, Amlan K.; Ciofini, Ilaria; Chamoreau, Lise-Marie; Marvaud, Valérie; Hanan, Garry S.","A ruthenium terpyridine complex showing stable photocatalytic hydrogen evolution under red light.","Chemical communications (Cambridge, England)","2025","61","77","14911","14914","10.1039/d5cc04303d","","","0.71073","MoKα","","0.1184","0.0815","","","0.2248","0.268","","","","","","1.104","","","","has coordinates","302408","2025-10-06","06:54:22",""
"7134903","24.023","0.006","13.643","0.003","19.181","0.005","90","","100.954","0.004","90","","6172","3","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H73 B2 Cl2 F4 Ir N4 -","- C69 H73 B2 Cl2 F4 Ir N4 -","- C276 H292 B8 Cl8 F16 Ir4 N16 -","4","1","","Fukumoto, Ryo; Yokoo, Takuya; Sakuda, Eri; Omoto, Kenichiro; Horiuchi, Shinnosuke; Arikawa, Yasuhiro; Umakoshi, Keisuke","Covalently linked triarylborane-iridium(III) complex as a photocatalyst for CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2025","61","77","14943","14946","10.1039/d5cc03094c","","","0.71075","MoKα","","0.196","0.131","","","0.1597","0.1845","","","","","","1.2","","","","has coordinates","302413","2025-10-06","06:56:29",""
"7134904","24.0423","0.001","7.61","0.0003","7.1438","0.0003","90","","90","","90","","1307.04","0.09","140","","140","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C17 H13 P -","- C17 H13 P -","- C68 H52 P4 -","4","0.5","","Steffen, Leo; Szych, Lilian S.; Franzke, Yannick J.; Kopp, Richard O.; Ernst, Moritz J.; Weber, Manuela; Müller, Christian","Di-π-methane rearrangement in 1-phosphabarrelenes: formation and reactivity of an unprecedented 2-phosphasemibullvalene.","Chemical communications (Cambridge, England)","2025","61","77","14907","14910","10.1039/d5cc04015a","","","1.54178","CuKα","","0.0777","0.0719","","","0.17","0.1778","","","","","","1.109","","","","has coordinates","302407","2025-10-06","06:54:02",""
"7134905","18.6524","0.0008","14.8278","0.0006","10.6662","0.0005","90","","105.222","0.002","90","","2846.5","0.2","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C31 H37 P Si2 -","- C31 H37 P Si2 -","- C124 H148 P4 Si8 -","4","1","","Steffen, Leo; Szych, Lilian S.; Franzke, Yannick J.; Kopp, Richard O.; Ernst, Moritz J.; Weber, Manuela; Müller, Christian","Di-π-methane rearrangement in 1-phosphabarrelenes: formation and reactivity of an unprecedented 2-phosphasemibullvalene.","Chemical communications (Cambridge, England)","2025","61","77","14907","14910","10.1039/d5cc04015a","","","0.71073","MoKα","","0.0493","0.0427","","","0.094","0.1009","","","","","","1.196","","","","has coordinates","302407","2025-10-06","06:54:05",""
"7134906","7.008","0.0006","16.5827","0.0016","16.2271","0.0015","90","","91.776","0.004","90","","1884.9","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 P -","- C25 H21 P -","- C100 H84 P4 -","4","1","","Steffen, Leo; Szych, Lilian S.; Franzke, Yannick J.; Kopp, Richard O.; Ernst, Moritz J.; Weber, Manuela; Müller, Christian","Di-π-methane rearrangement in 1-phosphabarrelenes: formation and reactivity of an unprecedented 2-phosphasemibullvalene.","Chemical communications (Cambridge, England)","2025","61","77","14907","14910","10.1039/d5cc04015a","","","1.54178","CuKα","","0.087","0.0673","","","0.1769","0.1923","","","","","","1.047","","","","has coordinates","302407","2025-10-06","06:54:05",""
"7134907","15.385","0.0006","13.0349","0.0005","22.32","0.0009","90","","98.157","0.002","90","","4430.8","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H25 O P Se -","- C27 H25 O P Se -","- C216 H200 O8 P8 Se8 -","8","1","","Steffen, Leo; Szych, Lilian S.; Franzke, Yannick J.; Kopp, Richard O.; Ernst, Moritz J.; Weber, Manuela; Müller, Christian","Di-π-methane rearrangement in 1-phosphabarrelenes: formation and reactivity of an unprecedented 2-phosphasemibullvalene.","Chemical communications (Cambridge, England)","2025","61","77","14907","14910","10.1039/d5cc04015a","","","0.71073","MoKα","","0.0356","0.0277","","","0.0674","0.0712","","","","","","1.06","","","","has coordinates","302407","2025-10-06","06:54:05",""
"7134908","11.7787","0.0007","12.1311","0.0006","15.4644","0.0008","74.53","0.002","89.83","0.002","72.66","0.002","2025.8","0.19","144","","144","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H44 Cl2 P2 -","- C51 H44 Cl2 P2 -","- C102 H88 Cl4 P4 -","2","1","","Steffen, Leo; Szych, Lilian S.; Franzke, Yannick J.; Kopp, Richard O.; Ernst, Moritz J.; Weber, Manuela; Müller, Christian","Di-π-methane rearrangement in 1-phosphabarrelenes: formation and reactivity of an unprecedented 2-phosphasemibullvalene.","Chemical communications (Cambridge, England)","2025","61","77","14907","14910","10.1039/d5cc04015a","","","0.71073","MoKα","","0.0392","0.0353","","","0.0876","0.0918","","","","","","1.018","","","","has coordinates","302407","2025-10-06","06:54:05",""
"7134909","6.0125","0.001","12.501","0.002","15.039","0.003","90","","96.181","0.006","90","","1123.8","0.3","298","","298","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C28 H24 N O2 P -","- C28 H24 N O2 P -","- C56 H48 N2 O4 P2 -","2","1","","Thondur, Jagadeesh Reddy; Gowda, Punith S.; Sharada, Duddu S.; Satyanarayana, Gedu","Electrochemical synthesis of phosphorylated oxazolines from <i>N</i>-allylamides.","Chemical communications (Cambridge, England)","2025","61","76","14717","14720","10.1039/d5cc03899e","","","0.71073","MoKα","","0.0717","0.0431","","","0.084","0.0937","","","","","","1.019","","","","has coordinates","302421","2025-10-06","06:59:13",""
"7134910","10.7693","0.0018","29.918","0.005","7.4885","0.0012","90","","90","","90","","2412.8","0.7","100","","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H16 F6 N4 O2 -","- C30 H16 F6 N4 O2 -","- C120 H64 F24 N16 O8 -","4","1","","Benny, Renitta; Andrews, Alex P.; De, Soumen","Foldamer engineering with squaramide and phenanthroline motifs: synthesis, characterisation, and structural insights.","Chemical communications (Cambridge, England)","2025","61","77","14955","14958","10.1039/d5cc03649f","","","0.71073","MoKα","","0.0884","0.0495","","","0.0997","0.1173","","","","","","1.015","","","","has coordinates","302412","2025-10-06","06:56:15",""
"7134911","17.1456","0.0003","17.1456","0.0003","16.9139","0.0005","90","","90","","120","","4306.06","0.17","100","2","100","2","","","","","","","","4","P 32","P 32","145","","","","- C74 H54 N12 O6 -","- C74 H54 N12 O6 -","- C222 H162 N36 O18 -","3","1","","Benny, Renitta; Andrews, Alex P.; De, Soumen","Foldamer engineering with squaramide and phenanthroline motifs: synthesis, characterisation, and structural insights.","Chemical communications (Cambridge, England)","2025","61","77","14955","14958","10.1039/d5cc03649f","","Mo K\a","0.71073","MoKα","","0.0486","0.0438","","","0.1157","0.1206","","","","","","1.035","","","","has coordinates,has disorder","302412","2025-10-06","06:56:15",""
"7134912","28.494","0.003","12.5982","0.0012","21.951","0.003","90","","105.585","0.004","90","","7590.1","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H31 N6 O2 -","- C43 H31 N6 O2 -","- C344 H248 N48 O16 -","8","1","","Benny, Renitta; Andrews, Alex P.; De, Soumen","Foldamer engineering with squaramide and phenanthroline motifs: synthesis, characterisation, and structural insights.","Chemical communications (Cambridge, England)","2025","61","77","14955","14958","10.1039/d5cc03649f","","","0.71073","MoKα","","0.1256","0.0709","","","0.1861","0.2371","","","","","","1.026","","","","has coordinates","302412","2025-10-06","06:56:15",""
"7134913","13.463","0.005","6.954","0.002","10.056","0.004","90","","90","","90","","941.5","0.6","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H10 B F2 N O2 -","- C9 H10 B F2 N O2 -","- C36 H40 B4 F8 N4 O8 -","4","0.5","","Ogoshi, Hikari; Ito, Shunichiro; Tanaka, Kazuo","Regulation of the frontier molecular orbitals and photophysical properties of boron tropolonate complexes by regioselective functionalization.","Chemical communications (Cambridge, England)","2025","61","76","14625","14628","10.1039/d5cc04171f","","","0.71075","MoKα","","0.0395","0.0343","","","0.0924","0.0962","","","","","","1.09","","","","has coordinates,has disorder","302420","2025-10-06","06:59:02",""
"7134914","16.243","0.003","7.2371","0.0013","20.146","0.004","90","","108.343","0.003","90","","2247.9","0.7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 B F2 O2 -","- C13 H9 B F2 O2 -","- C104 H72 B8 F16 O16 -","8","2","","Ogoshi, Hikari; Ito, Shunichiro; Tanaka, Kazuo","Regulation of the frontier molecular orbitals and photophysical properties of boron tropolonate complexes by regioselective functionalization.","Chemical communications (Cambridge, England)","2025","61","76","14625","14628","10.1039/d5cc04171f","","","0.71075","MoKα","","0.0536","0.0383","","","0.0856","0.0938","","","","","","1.002","","","","has coordinates","302420","2025-10-06","06:59:02",""
"7134915","7.865","0.002","10.808","0.003","14.417","0.004","90","","90","","90","","1225.5","0.6","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 B F2 O3 -","- C14 H11 B F2 O3 -","- C56 H44 B4 F8 O12 -","4","1","","Ogoshi, Hikari; Ito, Shunichiro; Tanaka, Kazuo","Regulation of the frontier molecular orbitals and photophysical properties of boron tropolonate complexes by regioselective functionalization.","Chemical communications (Cambridge, England)","2025","61","76","14625","14628","10.1039/d5cc04171f","","","0.71075","MoKα","","0.0357","0.0312","","","0.0719","0.0742","","","","","","0.995","","","","has coordinates","302420","2025-10-06","06:59:02",""
"7134916","9.09","0.003","11.297","0.003","8.038","0.003","90","","96.756","0.004","90","","819.7","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 B F2 O3 -","- C8 H7 B F2 O3 -","- C32 H28 B4 F8 O12 -","4","1","","Ogoshi, Hikari; Ito, Shunichiro; Tanaka, Kazuo","Regulation of the frontier molecular orbitals and photophysical properties of boron tropolonate complexes by regioselective functionalization.","Chemical communications (Cambridge, England)","2025","61","76","14625","14628","10.1039/d5cc04171f","","","0.71075","MoKα","","0.0435","0.0344","","","0.0865","0.0895","","","","","","0.949","","","","has coordinates","302420","2025-10-06","06:59:02",""
"7134917","9.4177","0.0007","18.4095","0.0011","9.9867","0.0007","90","","106.888","0.008","90","","1656.8","0.2","298.15","","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl0.15 N0.85 O1.7 Si -","- C18 H15 Cl0.15 N0.85 O1.7 Si -","- C72 H60 Cl0.6 N3.4 O6.8 Si4 -","4","1","","Dahmani, Houari; Poulin, Louis-Philippe; Fecteau, Charles-Émile; Harter, Lara; Johnson, Paul Andrew; Bélanger-Chabot, Guillaume","Nitro and nitritosilanes: do they and can they exist?","Chemical communications (Cambridge, England)","2025","61","81","15814","15817","10.1039/d5cc03923a","","x-ray","0.71073","MoKα","","0.1174","0.0546","","","0.1111","0.1305","","","","","","0.987","","","","has coordinates,has disorder","303524","2025-11-29","17:38:07",""
"7134918","5.3157","0.0007","34.868","0.005","16.652","0.002","90","","94.617","0.003","90","","3076.4","0.7","295","2","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N2 -","- C36 H30 N2 -","- C144 H120 N8 -","4","1","","Jaiswal, Gaurav; Pan, Subhas Chandra","Iridium catalyzed intramolecular cyclization of allyl alcohol-indole hybrids: rapid access to photoluminescent 5<i>H</i>-benzo[<i>b</i>]carbazoles.","Chemical communications (Cambridge, England)","2025","61","77","15011","15014","10.1039/d5cc04137f","","","0.71073","MoKα","","0.1717","0.0988","","","0.1745","0.1919","","","","","","1.079","","","","has coordinates","302409","2025-10-06","06:54:33",""
"7134919","8.5461","0.0003","11.5957","0.0004","13.2007","0.0003","72.926","0.002","87.247","0.003","81.392","0.003","1236.41","0.07","99.97","0.18","99.97","0.18","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 Cl2 O6 -","- C26 H26 Cl2 O6 -","- C52 H52 Cl4 O12 -","2","1","","Dan Xu, ?; Li, Xiaoxuan; Cai, Yifei; Chen, Yushuang; Xin, Yu; Chen, Jing; Yao, Hui; Huang, Nianyu; Wang, Nengzhong","Additive-controlled chemodivergent multi-component domino reaction between salicylaldehydes and Morita-Baylis-Hillman (MBH) carbonates.","Chemical communications (Cambridge, England)","2025","61","79","15433","15436","10.1039/d5cc04624f","","x-ray","1.54184","CuKα","","0.0565","0.0524","","","0.1468","0.152","","","","","","1.065","","","","has coordinates","302437","2025-10-06","07:05:49",""
"7134920","7.0689","0.0008","11.6245","0.0012","15.613","0.003","93.973","0.011","90.876","0.011","92.978","0.009","1277.9","0.3","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","2","","Dan Xu, ?; Li, Xiaoxuan; Cai, Yifei; Chen, Yushuang; Xin, Yu; Chen, Jing; Yao, Hui; Huang, Nianyu; Wang, Nengzhong","Additive-controlled chemodivergent multi-component domino reaction between salicylaldehydes and Morita-Baylis-Hillman (MBH) carbonates.","Chemical communications (Cambridge, England)","2025","61","79","15433","15436","10.1039/d5cc04624f","","x-ray","1.54184","CuKα","","0.1253","0.0942","","","0.2932","0.3147","","","","","","1.074","","","","has coordinates","302437","2025-10-06","07:05:50",""
"7134921","9.65189","0.00005","12.52806","0.00007","12.83597","0.00007","90","","90","","90","","1552.12","0.015","173","0.1","173","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Stroek, Wowa; Rowlinson, Nathalie A. V.; Hudson, Luke A.; Albrecht, Martin","Enantioselective C-H amination catalyzed by homoleptic iron salox complexes.","Chemical communications (Cambridge, England)","2025","61","78","15274","15277","10.1039/d5cc04627k","","x-ray","1.54184","CuKα","","0.0268","0.0266","","","0.0673","0.0675","","","","","","1.058","","","","has coordinates","302395","2025-10-06","06:48:56",""
"7134922","12.2589","0.0009","5.803","0.0004","17.0375","0.0008","90","","99.601","0.006","90","","1195.04","0.13","173","0.1","173","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C26 H32 Fe N2 O4 -","- C26 H32 Fe N2 O4 -","- C52 H64 Fe2 N4 O8 -","2","0.5","","Stroek, Wowa; Rowlinson, Nathalie A. V.; Hudson, Luke A.; Albrecht, Martin","Enantioselective C-H amination catalyzed by homoleptic iron salox complexes.","Chemical communications (Cambridge, England)","2025","61","78","15274","15277","10.1039/d5cc04627k","","x-ray","0.71073","MoKα","","0.05","0.0422","","","0.0991","0.1014","","","","","","1.02","","","","has coordinates","302395","2025-10-06","06:48:58",""
"7134923","19.6453","0.0003","14.5148","0.0002","31.1666","0.0005","90","","100.673","0.0015","90","","8733.4","0.2","173","0.1","173","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C46 H56 Fe N2 O4 -","- C46 H56 Fe N2 O4 -","- C368 H448 Fe8 N16 O32 -","8","2","","Stroek, Wowa; Rowlinson, Nathalie A. V.; Hudson, Luke A.; Albrecht, Martin","Enantioselective C-H amination catalyzed by homoleptic iron salox complexes.","Chemical communications (Cambridge, England)","2025","61","78","15274","15277","10.1039/d5cc04627k","","x-ray","0.71073","MoKα","","0.0645","0.0404","","","0.0787","0.0847","","","","","","1.027","","","","has coordinates,has disorder","302395","2025-10-06","06:48:58",""
"7134924","12.23289","0.00015","5.80595","0.00008","17.0105","0.0002","90","","99.7213","0.0012","90","","1190.8","0.03","173.01","0.1","173.01","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C26 H32 Fe N2 O4 -","- C26 H32 Fe N2 O4 -","- C52 H64 Fe2 N4 O8 -","2","0.5","","Stroek, Wowa; Rowlinson, Nathalie A. V.; Hudson, Luke A.; Albrecht, Martin","Enantioselective C-H amination catalyzed by homoleptic iron salox complexes.","Chemical communications (Cambridge, England)","2025","61","78","15274","15277","10.1039/d5cc04627k","","x-ray","1.54184","CuKα","","0.0411","0.0405","","","0.1023","0.1027","","","","","","1.072","","","","has coordinates","302395","2025-10-06","06:48:58",""
"7134925","14.66217","0.00017","5.0273","0.00007","16.98028","0.00018","90","","94.3034","0.001","90","","1248.11","0.03","173","0.1","173","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C32 H24 Fe N2 O4 -","- C32 H24 Fe N2 O4 -","- C64 H48 Fe2 N4 O8 -","2","0.5","","Stroek, Wowa; Rowlinson, Nathalie A. V.; Hudson, Luke A.; Albrecht, Martin","Enantioselective C-H amination catalyzed by homoleptic iron salox complexes.","Chemical communications (Cambridge, England)","2025","61","78","15274","15277","10.1039/d5cc04627k","","x-ray","1.54184","CuKα","","0.0311","0.0299","","","0.0778","0.0788","","","","","","1.045","","","","has coordinates","302395","2025-10-06","06:48:58",""
"7134926","12.2867","0.00014","6.39098","0.00007","20.0622","0.0002","90","","106.711","0.0012","90","","1508.84","0.03","100","0.1","100","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C38 H44 Fe N2 O4 -","- C38 H44 Fe N2 O4 -","- C76 H88 Fe2 N4 O8 -","2","0.5","","Stroek, Wowa; Rowlinson, Nathalie A. V.; Hudson, Luke A.; Albrecht, Martin","Enantioselective C-H amination catalyzed by homoleptic iron salox complexes.","Chemical communications (Cambridge, England)","2025","61","78","15274","15277","10.1039/d5cc04627k","","x-ray","1.54184","CuKα","","0.0367","0.0361","","","0.0949","0.0954","","","","","","1.068","","","","has coordinates","302395","2025-10-06","06:48:58",""
"7134927","9.682","0.005","17.405","0.009","21.044","0.01","90","","90","","90","","3546","3","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H32 N2 O4 S -","- C43 H32 N2 O4 S -","- C172 H128 N8 O16 S4 -","4","1","","Ghosh, Suman; Saha, Partha Sarathi; Saha, Shib Nath; Chandrasekharan, Sanoop P.; Koner, Mainak; Baidya, Mahiuddin","Cobalt-catalyzed regio- and stereoselective synthesis of atropisomers with vicinal C-C and C-N diaxes.","Chemical communications (Cambridge, England)","2025","61","78","15231","15234","10.1039/d5cc04297f","","","1.54178","CuKα","","0.068","0.0575","","","0.1402","0.1524","","","","","","1.073","","","","has coordinates","302396","2025-10-06","06:49:16",""
"7134928","10.5016","0.0002","11.4289","0.0003","13.5999","0.0003","104.793","0.002","93.4087","0.0019","114.921","0.002","1405.02","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H33 B N2 O -","- C38 H33 B N2 O -","- C76 H66 B2 N4 O2 -","2","1","","Tan, Ji-Hua; Liu, Xiao-Long; Su, Yao-Zu; Xing, Longjiang; Huo, Yanping; Chen, Jia-Xiong; Zhao, Zujin; Chen, Wen-Cheng","Incorporating hybrid charge transfer within a boron/nitrogen/oxygen-embedded scaffold for efficient yellow electroluminescence.","Chemical communications (Cambridge, England)","2025","61","77","14975","14978","10.1039/d5cc03874j","","x-ray","1.54184","CuKα","","0.0413","0.0406","","","0.1062","0.1069","","","","","","1.061","","","","has coordinates","302406","2025-10-06","06:53:29",""
"7134929","17.4653","0.0005","9.737","0.0003","9.8807","0.0002","90","","114.166","0.002","90","","1533.05","0.08","298","0.3","298","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","MAF-65","","- C8 H15 N6 O5.5 S Zn2 -","- C8 H15 N6 O5.5 S Zn2 -","- C32 H60 N24 O22 S4 Zn8 -","4","0.5","","Tian, Wen-Jiang; Hu, Ding-Yi; Fang, Zi-Luo; Zhong, Xiao-Feng; Xue, Ming; Zhou, Hao-Long; Zhou, Dong-Dong; Chen, Xiao-Ming","A stable sulfate-pillared metal triazolate framework with a gating effect for highly efficient dehydration of bioethanol.","Chemical communications (Cambridge, England)","2025","61","79","15461","15464","10.1039/d5cc04344a","","x-ray","1.54178","CuKα","","0.0293","0.0287","","","0.0773","0.078","","","","","","1.077","","","","has coordinates,has disorder","302436","2025-10-06","07:05:39",""
"7134930","10.2995","0.0007","14.7508","0.0009","13.5318","0.001","90","","106.895","0.008","90","","1967.1","0.2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ny 01 343","","- C26 H19 N O -","- C26 H19 N O -","- C104 H76 N4 O4 -","4","1","","Yadav, Nisha; Ramasastry, S. S. V.","Creating skeletal complexity through an interrupted Corey-Chaykovsky reaction of activated alkynes.","Chemical communications (Cambridge, England)","2025","61","78","15179","15182","10.1039/d5cc04277a","","x-ray","0.71073","MoKα","","0.0995","0.0648","","","0.1776","0.211","","","","","","1.2212","","","","has coordinates","302398","2025-10-06","06:49:41",""
"7134931","15.539","0.002","15.539","0.002","9.7031","0.0016","90","","90","","90","","2342.9","0.6","296","2","296","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C32 H22 N2 -","- C32 H22 N2 -","- C128 H88 N8 -","4","0.5","","Lijina, M. P.; Sujilkumar, Suvarna; Jadhav, Sohan D.; Hariharan, Mahesh","Exciton interactions in crystalline crossed diazapentacene.","Chemical communications (Cambridge, England)","2025","61","79","15397","15400","10.1039/d5cc04354a","","","0.71073","MoKα","","0.1009","0.0552","","","0.1433","0.1907","","","","","","1.046","","","","has coordinates","302438","2025-10-06","07:06:00",""
"7134932","8.797","0.003","10.718","0.003","11.047","0.004","97.418","0.004","90.078","0.004","110.84","0.004","964","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C50 H40 O6 -","2","1","","Wu, Hao-Ze; Zhai, Jing-Qi; Sun, Jun-Xi; Liu, Ying-Pin; Tu, Man-Su; Hao, Wen-Juan; Jiang, Bo","Electrochemical dehydrogenative α-vinylation and α-allylation of cyclic β-ketoesters.","Chemical communications (Cambridge, England)","2025","61","78","15187","15190","10.1039/d5cc03082j","","","0.71073","MoKα","","0.055","0.0488","","","0.1398","0.147","","","","","","1.02","","","","has coordinates","302397","2025-10-06","06:49:25",""
"7134933","15.782","0.0003","24.6362","0.0005","12.3944","0.0003","90","","106.631","0.002","90","","4617.46","0.18","103","","103","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Titanium complex","","- C49 H60 Cl3 O2 P Ti -","- C49 H60 Cl3 O2 P Ti -","- C196 H240 Cl12 O8 P4 Ti4 -","4","1","","Toda, Tomoyuki; Cheng, Yu; Takenaka, Katsuhiko","Synthesis and structure of titanium complexes with phosphonium-bisphenolate ligands ""{P<sup>+</sup>[O<sub>2</sub>]}H<sub>2</sub>"" and their catalytic trimerization of 1-octene.","Chemical communications (Cambridge, England)","2025","61","80","15594","15597","10.1039/d5cc04541j","","x-ray","0.71073","MoKα","","0.0651","0.043","","","0.1057","0.1151","","","","","","1.061","","","","has coordinates,has disorder","302456","2025-10-06","07:12:45",""
"7134934","10.4137","0.0002","21.394","0.0004","23.4007","0.0006","90","","95.631","0.002","90","","5188.3","0.19","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H53.5 B Cl0.5 F15 N2 Na O2 -","- C53 H51 B F15 N2 Na O2 -","- C212 H204 B4 F60 N8 Na4 O8 -","4","1","","Groth, Lucie J.; Bockfeld, Dirk; Tamm, Matthias","Heavy alkali metal complexes of N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2025","61","81","15806","15809","10.1039/d5cc04534g","","x-ray","1.54184","CuKα","","0.0775","0.0533","","","0.1313","0.1451","","","","","","1.025","","","","has coordinates,has disorder","303529","2025-11-29","17:40:39",""
"7134935","10.4085","0.0001","21.402","0.0003","23.6416","0.0004","90","","95.876","0.001","90","","5238.8","0.13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55.15 H55.58 B F15 K N2 O2.36 -","- C55.146 H55.584 B F15 K N2 O2.354 -","- C220.584 H222.336 B4 F60 K4 N8 O9.416 -","4","1","","Groth, Lucie J.; Bockfeld, Dirk; Tamm, Matthias","Heavy alkali metal complexes of N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2025","61","81","15806","15809","10.1039/d5cc04534g","","x-ray","1.54184","CuKα","","0.0492","0.0451","","","0.1213","0.1242","","","","","","1.058","","","","has coordinates,has disorder","303529","2025-11-29","17:40:39",""
"7134936","10.5897","0.0002","19.8422","0.0003","22.0049","0.0004","90","","102.005","0.002","90","","4522.61","0.14","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H43 B F15 N2 O Rb -","- C49 H43 B F15 N2 O Rb -","- C196 H172 B4 F60 N8 O4 Rb4 -","4","1","","Groth, Lucie J.; Bockfeld, Dirk; Tamm, Matthias","Heavy alkali metal complexes of N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2025","61","81","15806","15809","10.1039/d5cc04534g","","x-ray","1.54184","CuKα","","0.047","0.045","","","0.1391","0.1412","","","","","","1.065","","","","has coordinates","303529","2025-11-29","17:40:40",""
"7134937","12.6204","0.0004","20.9998","0.0008","22.0018","0.0008","90","","103.79","0.004","90","","5663","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58.79 H59 B F15 N2 O2.4 Rb -","- C58.785 H59 B F15 N2 O2.405 Rb -","- C235.14 H236 B4 F60 N8 O9.62 Rb4 -","4","1","","Groth, Lucie J.; Bockfeld, Dirk; Tamm, Matthias","Heavy alkali metal complexes of N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2025","61","81","15806","15809","10.1039/d5cc04534g","","x-ray","0.71073","MoKα","","0.0718","0.0487","","","0.1206","0.1313","","","","","","1.033","","","","has coordinates,has disorder","303529","2025-11-29","17:40:40",""
"7134938","10.4148","0.0003","21.3092","0.0006","23.9266","0.0008","90","","96.291","0.003","90","","5278.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H53.5 B Cl0.5 F15 K N2 O2 -","- C56 H53.5 B Cl0.5 F15 K N2 O2 -","- C224 H214 B4 Cl2 F60 K4 N8 O8 -","4","1","","Groth, Lucie J.; Bockfeld, Dirk; Tamm, Matthias","Heavy alkali metal complexes of N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2025","61","81","15806","15809","10.1039/d5cc04534g","","x-ray","0.71073","MoKα","","0.0848","0.0601","","","0.1715","0.1852","","","","","","1.074","","","","has coordinates,has disorder","303529","2025-11-29","17:40:40",""
"7134939","10.4449","0.0003","21.3951","0.0006","23.6633","0.001","90","","95.879","0.003","90","","5260.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H57 B F15 N2 O2 Rb -","- C55.5 H57 B F15 N2 O2 Rb -","- C222 H228 B4 F60 N8 O8 Rb4 -","4","1","","Groth, Lucie J.; Bockfeld, Dirk; Tamm, Matthias","Heavy alkali metal complexes of N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2025","61","81","15806","15809","10.1039/d5cc04534g","","x-ray","1.54184","CuKα","","0.115","0.0831","","","0.2228","0.2493","","","","","","1.014","","","","has coordinates,has disorder","303529","2025-11-29","17:40:40",""
"7134940","24.4226","0.0003","10.8098","0.0002","20.7892","0.0003","90","","90","","90","","5488.42","0.15","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C57 H59 B Cs F15 N2 O3 -","- C57 H59 B Cs F15 N2 O3 -","- C228 H236 B4 Cs4 F60 N8 O12 -","4","1","","Groth, Lucie J.; Bockfeld, Dirk; Tamm, Matthias","Heavy alkali metal complexes of N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2025","61","81","15806","15809","10.1039/d5cc04534g","","x-ray","0.71073","MoKα","","0.0339","0.0299","","","0.072","0.0736","","","","","","1.039","","","","has coordinates,has disorder","303529","2025-11-29","17:40:40",""
"7134941","19.7357","0.0004","15.5295","0.0002","36.8929","0.0006","90","","91.4071","0.0016","90","","11303.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H59 B Cs F15 N2 O3 -","- C57 H59 B Cs F15 N2 O3 -","- C456 H472 B8 Cs8 F120 N16 O24 -","8","2","","Groth, Lucie J.; Bockfeld, Dirk; Tamm, Matthias","Heavy alkali metal complexes of N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2025","61","81","15806","15809","10.1039/d5cc04534g","","x-ray","0.71073","MoKα","","0.0776","0.0565","","","0.1403","0.1508","","","","","","1.043","","","","has coordinates,has disorder","303529","2025-11-29","17:40:40",""
"7134942","10.658","0.0002","36.1409","0.0007","43.421","0.0009","90","","96.705","0.002","90","","16610.9","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H59 B Cs F15 N2 O3 -","- C57 H59 B Cs F15 N2 O3 -","- C684 H708 B12 Cs12 F180 N24 O36 -","12","3","","Groth, Lucie J.; Bockfeld, Dirk; Tamm, Matthias","Heavy alkali metal complexes of N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2025","61","81","15806","15809","10.1039/d5cc04534g","","x-ray","0.71073","MoKα","","0.0864","0.0659","","","0.1458","0.1542","","","","","","1.096","","","","has coordinates,has disorder","303529","2025-11-29","17:40:40",""
"7134943","19.0891","0.0001","19.1789","0.0001","23.9828","0.0001","90","","90","","90","","8780.29","0.07","153","2","153","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C40 H42 F6 Li N7 Ni O7 S2 -","- C40 H42 F6 Li N7 Ni O7 S2 -","- C320 H336 F48 Li8 N56 Ni8 O56 S16 -","8","2","","Patterson, Claire R.; Oyala, Paul H.; Buss, Joshua A.","Synthesis and electronic structure elucidation of bioinspired heterobimetallic nickel complexes.","Chemical communications (Cambridge, England)","2025","61","66","12345","12348","10.1039/d5cc03435c","","x-ray","1.54178","CuKα","","0.0303","0.029","","","0.0732","0.0747","","","","","","1.053","","","","has coordinates,has disorder","302002","2025-09-04","04:39:00",""
"7134944","10.4885","0.0001","21.9395","0.0002","19.6735","0.0002","90","","96.268","0.001","90","","4500.05","0.08","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H48 Co F3 N7 Ni O8 S -","- C43 H48 Co F3 N7 Ni O8 S -","- C172 H192 Co4 F12 N28 Ni4 O32 S4 -","4","1","","Patterson, Claire R.; Oyala, Paul H.; Buss, Joshua A.","Synthesis and electronic structure elucidation of bioinspired heterobimetallic nickel complexes.","Chemical communications (Cambridge, England)","2025","61","66","12345","12348","10.1039/d5cc03435c","","x-ray","1.54178","CuKα","","0.0572","0.0454","","","0.1057","0.1194","","","","","","1.06","","","","has coordinates","302002","2025-09-04","04:39:00",""
"7134945","13.3133","0.0001","21.6731","0.0001","16.4955","0.0001","90","","96.1","0.001","90","","4732.67","0.05","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H45 Cu F6 N7 Ni O9 S2 -","- C42 H45 Cu F6 N7 Ni O9 S2 -","- C168 H180 Cu4 F24 N28 Ni4 O36 S8 -","4","1","","Patterson, Claire R.; Oyala, Paul H.; Buss, Joshua A.","Synthesis and electronic structure elucidation of bioinspired heterobimetallic nickel complexes.","Chemical communications (Cambridge, England)","2025","61","66","12345","12348","10.1039/d5cc03435c","","x-ray","1.54178","CuKα","","0.0421","0.0413","","","0.1058","0.1064","","","","","","1.047","","","","has coordinates","302002","2025-09-04","04:39:01",""
"7134946","12.952","0.0002","17.1844","0.0003","35.8757","0.0004","80.209","0.001","80.119","0.001","75.351","0.001","7543.3","0.2","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H64.5 B F24 N6 Ni2 O5.75 -","- C72 H57 B F24 N6 Ni2 O5 -","- C288 H228 B4 F96 N24 Ni8 O20 -","4","2","","Patterson, Claire R.; Oyala, Paul H.; Buss, Joshua A.","Synthesis and electronic structure elucidation of bioinspired heterobimetallic nickel complexes.","Chemical communications (Cambridge, England)","2025","61","66","12345","12348","10.1039/d5cc03435c","","x-ray","1.54178","CuKα","","0.0509","0.0421","","","0.1054","0.1123","","","","","","1.025","","","","has coordinates,has disorder","302002","2025-09-04","04:39:02",""
"7134947","8.8332","0.0003","10.9154","0.0002","11.1884","0.0002","103.17","0.002","93.958","0.002","111.325","0.002","964.66","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Cl2 F3 N -","- C22 H14 Cl2 F3 N -","- C44 H28 Cl4 F6 N2 -","2","1","","Song, Mengda; Leng, Yuting; Xu, Zhiwei; Wu, Yusheng; Wu, Yangjie","Photocatalytic cyclization reaction of 2-vinylarylamines with CF<sub>3</sub>SO<sub>2</sub>Na and arylaldehydes to access 3-(2,2,2-trifluoroethyl)-3<i>H</i>-indoles.","Chemical communications (Cambridge, England)","2025","61","80","15626","15629","10.1039/d5cc03496e","","","0.71073","MoKα","","0.0461","0.0372","","","0.0845","0.09","","","","","","1.048","","","","has coordinates","302458","2025-10-06","07:13:14",""
"7134948","12.2122","0.0005","13.7141","0.0004","14.0849","0.0006","90","","112.262","0.004","90","","2183.1","0.16","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 F6 N O2 -","- C25 H19 F6 N O2 -","- C100 H76 F24 N4 O8 -","4","1","","Song, Mengda; Leng, Yuting; Xu, Zhiwei; Wu, Yusheng; Wu, Yangjie","Photocatalytic cyclization reaction of 2-vinylarylamines with CF<sub>3</sub>SO<sub>2</sub>Na and arylaldehydes to access 3-(2,2,2-trifluoroethyl)-3<i>H</i>-indoles.","Chemical communications (Cambridge, England)","2025","61","80","15626","15629","10.1039/d5cc03496e","","x-ray","0.71073","MoKα","","0.053","0.0398","","","0.1011","0.1073","","","","","","1.06","","","","has coordinates","302458","2025-10-06","07:13:15",""
"7134949","38.4123","0.001","3.6758","0.0001","23.4287","0.0007","90","","90","","90","","3308.04","0.16","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","5-fluorouracil isoniazid","2,4-dihydroxy-5-fluoropyrimidine 4-pyridinecarboxylic acid hydrazide","","- C14 H13 F2 N7 O5 -","- C14 H13 F2 N7 O5 -","- C112 H104 F16 N56 O40 -","8","2","","Grabowski, Szymon; Wojdyła-Parat, Julianna; Tyszka-Czochara, Małgorzata; Kozieł, Marcin; Chmylak, Michał; Lalik, Sebastian; Gryl, Marlena","The whole is greater than the sum of its parts: binary and ternary 5-fluorouracil co-crystals with enhanced selectivity towards metastatic cancer cells.","Chemical communications (Cambridge, England)","2025","61","86","16770","16773","10.1039/d5cc01707f","","x-ray","1.54184","CuKα","","0.0354","0.0327","","","0.0833","0.085","","","","","","1.048","","","","has coordinates","303514","2025-11-29","17:34:29",""
"7134950","10.0127","0.0002","10.3322","0.0002","11.01547","0.00017","92.4573","0.0016","97.6809","0.0016","118.558","0.002","984.47","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","caffeic acid 5-fluorouracil izoniazid <1/1/1>","","- C19 H18 F N5 O7 -","- C19 H18 F N5 O7 -","- C38 H36 F2 N10 O14 -","2","1","","Grabowski, Szymon; Wojdyła-Parat, Julianna; Tyszka-Czochara, Małgorzata; Kozieł, Marcin; Chmylak, Michał; Lalik, Sebastian; Gryl, Marlena","The whole is greater than the sum of its parts: binary and ternary 5-fluorouracil co-crystals with enhanced selectivity towards metastatic cancer cells.","Chemical communications (Cambridge, England)","2025","61","86","16770","16773","10.1039/d5cc01707f","","x-ray","1.54184","CuKα","","0.0832","0.0619","","","0.1777","0.2084","","","","","","1.148","","","","has coordinates","303514","2025-11-29","17:34:30",""
"7134951","18.4916","0.0014","5.0168","0.0003","10.5385","0.001","90","","121.698","0.005","90","","831.81","0.12","301","","301","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H18 I2 N2 O4 Pb -","- C10 H18 I2 N2 O4 Pb -","- C20 H36 I4 N4 O8 Pb2 -","2","0.5","","Cheng, Juan; Yi, Gangji; Zhong, Qinglan; Huang, Ling; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Enhanced second-harmonic generation response in a chiral lead iodide induced by amino acid coordination.","Chemical communications (Cambridge, England)","2025","61","80","15682","15685","10.1039/d5cc04132e","","x-ray","0.71073","MoKα","","0.0287","0.025","","","0.0599","0.0615","","","","","","1.07","","","","has coordinates","302461","2025-10-06","07:14:07",""
"7134952","16.042","0.002","9.1284","0.0013","19.28","0.003","90","","99.505","0.002","90","","2784.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 N3 P Sn -","- C26 H42 N3 P Sn -","- C104 H168 N12 P4 Sn4 -","4","1","","Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio","Iminophosphonamido stannylenes enable quantitative CO<sub>2</sub> conversion to isocyanates.","Chemical communications (Cambridge, England)","2025","61","79","15389","15392","10.1039/d5cc04149j","","","0.71073","MoKα","","0.0402","0.0326","","","0.0821","0.0853","","","","","","1.008","","","","has coordinates","302434","2025-10-06","07:05:09",""
"7134953","16.5953","0.0007","17.4977","0.0007","10.4421","0.0004","90","","90","","90","","3032.2","0.2","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C29 H42 N3 P Si Sn -","- C29 H42 N3 P Si Sn -","- C116 H168 N12 P4 Si4 Sn4 -","4","1","","Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio","Iminophosphonamido stannylenes enable quantitative CO<sub>2</sub> conversion to isocyanates.","Chemical communications (Cambridge, England)","2025","61","79","15389","15392","10.1039/d5cc04149j","","","0.71073","MoKα","","0.0202","0.0197","","","0.0502","0.0505","","","","","","1.053","","","","has coordinates","302434","2025-10-06","07:05:09",""
"7134954","11.485","0.002","17.028","0.003","15.977","0.003","90","","90.319","0.002","90","","3124.5","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 N3 P Si2 Sn -","- C26 H46 N3 P Si2 Sn -","- C104 H184 N12 P4 Si8 Sn4 -","4","1","","Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio","Iminophosphonamido stannylenes enable quantitative CO<sub>2</sub> conversion to isocyanates.","Chemical communications (Cambridge, England)","2025","61","79","15389","15392","10.1039/d5cc04149j","","","0.71073","MoKα","","0.0369","0.0295","","","0.0668","0.0695","","","","","","1.011","","","","has coordinates","302434","2025-10-06","07:05:09",""
"7134955","10.7809","0.0006","12.7284","0.0007","14.9033","0.0009","72.507","0.001","82.446","0.001","69.563","0.001","1826.93","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H54 N3 P Si Sn -","- C35 H54 N3 P Si Sn -","- C70 H108 N6 P2 Si2 Sn2 -","2","1","","Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio","Iminophosphonamido stannylenes enable quantitative CO<sub>2</sub> conversion to isocyanates.","Chemical communications (Cambridge, England)","2025","61","79","15389","15392","10.1039/d5cc04149j","","","0.71073","MoKα","","0.0355","0.0323","","","0.0794","0.0814","","","","","","1.017","","","","has coordinates","302434","2025-10-06","07:05:09",""
"7134956","11.3458","0.0003","16.8337","0.0004","15.6145","0.0004","90","","90.519","0.001","90","","2982.12","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H46 N3 P Si Sn -","- C27 H46 N3 P Si Sn -","- C108 H184 N12 P4 Si4 Sn4 -","4","1","","Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio","Iminophosphonamido stannylenes enable quantitative CO<sub>2</sub> conversion to isocyanates.","Chemical communications (Cambridge, England)","2025","61","79","15389","15392","10.1039/d5cc04149j","","","0.71073","MoKα","","0.0301","0.0283","","","0.0767","0.0782","","","","","","1.021","","","","has coordinates","302434","2025-10-06","07:05:09",""
"7134957","11.1541","0.0005","11.8712","0.0006","12.7603","0.0006","64.127","0.002","81.601","0.002","81.316","0.002","1496.72","0.13","100","2","100","","","","","","","","","5","P -1","-P 1","2","","QUINOLINE DERIVATIVE","","- C37 H31 N O4 S2 -","- C37 H31 N O4 S2 -","- C74 H62 N2 O8 S4 -","2","1","","Yadav, Pooja; Varma, A. Anagha; Gopinath, Purushothaman","Accessing [6,6,5,6] tetracyclic indeno-quinolines <i>via</i> a photomediated cascade reaction of electron-rich 1,7-enynes.","Chemical communications (Cambridge, England)","2025","61","84","16440","16443","10.1039/d5cc04023j","","","0.71073","MoKα","","0.0341","0.0315","","","0.082","0.0846","","","","","","1.043","","","","has coordinates","303574","2025-11-29","17:54:33",""
"7134958","10.3187","0.0006","10.3187","0.0006","38.654","0.003","90","","90","","90","","4115.7","0.5","100","","100","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C19 H23 Br N O6 P -","- C19 H23 Br N O6 P -","- C152 H184 Br8 N8 O48 P8 -","8","1","","Savoskin, Alexander E.; Efremov, Andrey N.; Murashkina, Arina V.; Gontcharenko, Victoriya E.; Bogdanov, Andrei V.; Mitrofanov, Alexander Yu; Beletskaya, Irina P.","Base-promoted cascade annulation and annulation/carboxylation of α-enolizable phosphoryl substituted ynones and isatins with CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2025","61","83","16230","16233","10.1039/d5cc04158a","","x-ray","0.71073","MoKα","","0.1267","0.0999","","","0.2222","0.2336","","","","","","1.15","","","","has coordinates,has disorder","303518","2025-11-29","17:36:23",""
"7134959","14.7895","0.0018","18.2516","0.0018","19.007","0.002","90","","111.191","0.004","90","","4783.7","0.9","144.97","","144.97","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H57 N4 O10 Zn -","- C45 H57 N4 O10 Zn -","- C180 H228 N16 O40 Zn4 -","4","1","","Dutta, Abhishek; Ghosh, Subhajit; Dastidar, Parthasarathi","Developing a Zn(II)-metallovesicle for loading and delivering doxorubicin to kill cancer cells-a multi-drug delivery system.","Chemical communications (Cambridge, England)","2025","61","80","15646","15649","10.1039/d5cc02372f","","x-ray","0.71073","MoKα","","0.1142","0.0715","","","0.1878","0.227","","","","","","1.043","","","","has coordinates,has disorder","302457","2025-10-06","07:12:59",""
"7134960","28.556","0.007","13.118","0.003","24.817","0.006","90","","113.023","0.008","90","","8556","4","160.01","","160.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H48.5 N4 O6.5 Zn -","- C44.4997 H48.4993 N4 O6.5 Zn -","- C355.998 H387.994 N32 O52 Zn8 -","8","1","","Dutta, Abhishek; Ghosh, Subhajit; Dastidar, Parthasarathi","Developing a Zn(II)-metallovesicle for loading and delivering doxorubicin to kill cancer cells-a multi-drug delivery system.","Chemical communications (Cambridge, England)","2025","61","80","15646","15649","10.1039/d5cc02372f","","x-ray","0.71073","MoKα","","0.0702","0.0512","","","0.133","0.1475","","","","","","1.064","","","","has coordinates,has disorder","302457","2025-10-06","07:13:00",""
"7134961","13.273","0.007","13.274","0.007","18.456","0.009","85.563","0.008","77.044","0.007","79.9","0.007","3117","3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H31.94 F N3 O8 Zn -","- C31 H31.94 F N3 O8 Zn -","- C124 H127.76 F4 N12 O32 Zn4 -","4","2","","Dutta, Abhishek; Ghosh, Subhajit; Dastidar, Parthasarathi","Developing a Zn(II)-metallovesicle for loading and delivering doxorubicin to kill cancer cells-a multi-drug delivery system.","Chemical communications (Cambridge, England)","2025","61","80","15646","15649","10.1039/d5cc02372f","","x-ray","0.71073","MoKα","","0.1723","0.0967","","","0.2423","0.3014","","","","","","0.934","","","","has coordinates,has disorder","302457","2025-10-06","07:13:00",""
"7134962","16.5351","0.0006","15.4526","0.0005","19.1218","0.0007","90","","102.301","0.007","90","","4773.6","0.3","153.15","","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H53 Cl2 O4 Si3 -","- C53 H53 Cl2 O4 Si3 -","- C212 H212 Cl8 O16 Si12 -","4","0.5","","Szathmári, Balázs; Holczbauer, Tamás; Balterer, Bence; Domján, Attila; Volk, Balázs; Kovács, Ilona; Kelemen, Zsolt","Synthesis and characterization of the first neutral hexacoordinated silole complexes.","Chemical communications (Cambridge, England)","2025","61","82","16042","16045","10.1039/d5cc04234h","","","0.71075","MoKα","","0.0576","0.0493","","","0.1039","0.1076","","","","","","1.143","","","","has coordinates,has disorder","303589","2025-11-29","17:59:51",""
"7134963","17.857","0.0012","11.106","0.0004","23.4549","0.0014","90","","91.262","0.004","90","","4650.4","0.5","103.15","","103.15","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C52 H50 O4 Si3 -","- C52 H50 O4 Si3 -","- C208 H200 O16 Si12 -","4","0.5","","Szathmári, Balázs; Holczbauer, Tamás; Balterer, Bence; Domján, Attila; Volk, Balázs; Kovács, Ilona; Kelemen, Zsolt","Synthesis and characterization of the first neutral hexacoordinated silole complexes.","Chemical communications (Cambridge, England)","2025","61","82","16042","16045","10.1039/d5cc04234h","","","0.71075","MoKα","","0.0613","0.05","","","0.0933","0.0973","","","","","","1.213","","","","has coordinates","303589","2025-11-29","17:59:52",""
"7134964","10.5394","0.0007","12.0173","0.0007","12.3813","0.0008","82.86","0.006","68.217","0.005","82.581","0.006","1439.02","0.17","103.15","","103.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H38 O2 Si3 -","- C28 H38 O2 Si3 -","- C56 H76 O4 Si6 -","2","1","","Szathmári, Balázs; Holczbauer, Tamás; Balterer, Bence; Domján, Attila; Volk, Balázs; Kovács, Ilona; Kelemen, Zsolt","Synthesis and characterization of the first neutral hexacoordinated silole complexes.","Chemical communications (Cambridge, England)","2025","61","82","16042","16045","10.1039/d5cc04234h","","","0.71075","MoKα","","0.0738","0.0634","","","0.1432","0.1484","","","","","","1.161","","","","has coordinates","303589","2025-11-29","17:59:52",""
"7134965","18.8918","0.0009","16.4124","0.0007","11.5152","0.0006","90","","101.755","0.007","90","","3495.5","0.3","103.15","","103.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 O2 Si3 -","- C38 H42 O2 Si3 -","- C152 H168 O8 Si12 -","4","1","","Szathmári, Balázs; Holczbauer, Tamás; Balterer, Bence; Domján, Attila; Volk, Balázs; Kovács, Ilona; Kelemen, Zsolt","Synthesis and characterization of the first neutral hexacoordinated silole complexes.","Chemical communications (Cambridge, England)","2025","61","82","16042","16045","10.1039/d5cc04234h","","","0.71075","MoKα","","0.1148","0.084","","","0.2148","0.2372","","","","","","1.061","","","","has coordinates,has disorder","303589","2025-11-29","17:59:52",""
"7134966","10.8977","0.0002","18.3039","0.0004","13.5149","0.0003","90","","91.29","0.006","90","","2695.14","0.1","121","2","121.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 O2 Si3 -","- C27 H34 O2 Si3 -","- C108 H136 O8 Si12 -","4","1","","Szathmári, Balázs; Holczbauer, Tamás; Balterer, Bence; Domján, Attila; Volk, Balázs; Kovács, Ilona; Kelemen, Zsolt","Synthesis and characterization of the first neutral hexacoordinated silole complexes.","Chemical communications (Cambridge, England)","2025","61","82","16042","16045","10.1039/d5cc04234h","","","1.54187","CuKα","","0.0474","0.0468","","","0.1022","0.1025","","","","","","1.278","","","","has coordinates","303589","2025-11-29","17:59:52",""
"7134967","9.5424","0.0008","10.5382","0.0008","18.3347","0.0011","78.61","0.005","82.78","0.006","76.832","0.005","1753.6","0.2","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 O2 Si3 -","- C38 H42 O2 Si3 -","- C76 H84 O4 Si6 -","2","1","","Szathmári, Balázs; Holczbauer, Tamás; Balterer, Bence; Domján, Attila; Volk, Balázs; Kovács, Ilona; Kelemen, Zsolt","Synthesis and characterization of the first neutral hexacoordinated silole complexes.","Chemical communications (Cambridge, England)","2025","61","82","16042","16045","10.1039/d5cc04234h","","","0.71075","MoKα","","0.0486","0.0441","","","0.0984","0.1006","","","","","","1.152","","","","has coordinates","303589","2025-11-29","17:59:52",""
"7134968","29.764","0.0003","14.7485","0.0001","25.3341","0.0003","90","","117.338","0.002","90","","9878.9","0.2","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C64 H54 O5.25 Si -","- C64 H54 O5.25 Si -","- C512 H432 O42 Si8 -","8","1","","Szathmári, Balázs; Holczbauer, Tamás; Balterer, Bence; Domján, Attila; Volk, Balázs; Kovács, Ilona; Kelemen, Zsolt","Synthesis and characterization of the first neutral hexacoordinated silole complexes.","Chemical communications (Cambridge, England)","2025","61","82","16042","16045","10.1039/d5cc04234h","","x-ray","1.54184","CuKα","","0.0571","0.0529","","","0.1419","0.1456","","","","","","1.017","","","","has coordinates","303589","2025-11-29","17:59:52",""
"7134969","11.0558","0.0001","13.5926","0.0001","23.5001","0.0001","90","","102.655","0.001","90","","3445.73","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C39 H34 Cl3 D O4 Si -","- C39 H34 Cl3 D O4 Si -","- C156 H136 Cl12 D4 O16 Si4 -","4","2","","Szathmári, Balázs; Holczbauer, Tamás; Balterer, Bence; Domján, Attila; Volk, Balázs; Kovács, Ilona; Kelemen, Zsolt","Synthesis and characterization of the first neutral hexacoordinated silole complexes.","Chemical communications (Cambridge, England)","2025","61","82","16042","16045","10.1039/d5cc04234h","","x-ray","1.54184","CuKα","","0.0414","0.0405","","","0.1107","0.1117","","","","","","1.066","","","","has coordinates,has disorder","303589","2025-11-29","17:59:52",""
"7134970","10.4474","0.0005","10.2793","0.0005","12.6679","0.0006","90","","100.902","0.002","90","","1335.88","0.11","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H17 Cl N6 O4 -","- C6 H17 Cl N6 O4 -","- C24 H68 Cl4 N24 O16 -","4","1","","Pan, Yu-Ming; An, Xin-You; Fang, Zhi","[C(NH<sub>2</sub>)<sub>3</sub>]<sub>2</sub>[C<sub>2</sub>H<sub>5</sub>(C<sub>2</sub>O<sub>4</sub>)]Cl: rational design of a metal-free UV birefringent crystal through the synergistic assembly of three distinct motifs.","Chemical communications (Cambridge, England)","2025","61","81","15894","15897","10.1039/d5cc04675k","","","0.71073","MoKα","","0.0875","0.0586","","","0.1093","0.1243","","","","","","1.146","","","","has coordinates","303526","2025-11-29","17:38:35",""
"7134971","16.768","0.0003","16.0675","0.0003","20.0092","0.0004","90","","90","","90","","5390.88","0.18","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H32 Co N2 O2 -","- C32 H32 Co N2 O2 -","- C256 H256 Co8 N16 O16 -","8","1","","Robaszkiewicz, Jakub; Szarłan, Bartłomiej; Pawluć, Piotr; Kubicki, Maciej; Zaranek, Maciej","Sustainable synthesis of hydrosilanes and alkoxysilanes in a sequential one-pot olefin hydrosilylation and dehydrogenative coupling with alcohol under phenoxyiminato cobalt(II) catalysis.","Chemical communications (Cambridge, England)","2025","61","82","16046","16049","10.1039/d5cc03676c","","x-ray","0.71073","MoKα","","0.0505","0.0429","","","0.1278","0.1344","","","","","","1.045","","","","has coordinates","303587","2025-11-29","17:58:47",""
"7134972","16.74959","0.00013","24.61558","0.00016","24.87337","0.00016","64.6808","0.0007","70.8779","0.0007","74.2696","0.0006","8655","0.12","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C98.53 H111.06 N2 O11.84 -","- C87 H88 N2 O8 -","- C348 H352 N8 O32 -","4","2","","Chen, Jin-Fa; Gao, Qing-Xiu; Wang, Yuxuan; Shi, Bingbing; Yao, Hong; Wei, Tai-Bao; Lin, Qi","Guest-triggered crystallization of π-conjugated pillar[5]arene: from amorphous aggregates to an ordered architecture <i>via</i> solid-state host-guest synergy.","Chemical communications (Cambridge, England)","2025","61","81","15882","15885","10.1039/d5cc03945b","","x-ray","1.54184","CuKα","","0.0522","0.0462","","","0.1258","0.1298","","","","","","1.028","","","","has coordinates,has disorder","303528","2025-11-29","17:39:57",""
"7134973","19.5858","0.0007","21.7012","0.0007","20.0122","0.0007","90","","113.871","0.004","90","","7778.3","0.5","149.99","0.11","149.99","0.11","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C92 H100 N2 O9 -","- C92 H100 N2 O9 -","- C368 H400 N8 O36 -","4","1","","Chen, Jin-Fa; Gao, Qing-Xiu; Wang, Yuxuan; Shi, Bingbing; Yao, Hong; Wei, Tai-Bao; Lin, Qi","Guest-triggered crystallization of π-conjugated pillar[5]arene: from amorphous aggregates to an ordered architecture <i>via</i> solid-state host-guest synergy.","Chemical communications (Cambridge, England)","2025","61","81","15882","15885","10.1039/d5cc03945b","","x-ray","1.54184","CuKα","","0.0969","0.0504","","","0.1115","0.1346","","","","","","0.977","","","","has coordinates,has disorder","303528","2025-11-29","17:39:58",""
"7134974","43.0399","0.0003","24.2273","0.0001","61.0404","0.0004","90","","99.47","0.001","90","","62781.9","0.7","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C93.62 H101.24 N2 O9.54 -","- C92 H98 N2 O9 -","- C2944 H3136 N64 O288 -","32","4","","Chen, Jin-Fa; Gao, Qing-Xiu; Wang, Yuxuan; Shi, Bingbing; Yao, Hong; Wei, Tai-Bao; Lin, Qi","Guest-triggered crystallization of π-conjugated pillar[5]arene: from amorphous aggregates to an ordered architecture <i>via</i> solid-state host-guest synergy.","Chemical communications (Cambridge, England)","2025","61","81","15882","15885","10.1039/d5cc03945b","","x-ray","1.54184","CuKα","","0.0865","0.0564","","","0.1471","0.167","","","","","","1.037","","","","has coordinates,has disorder","303528","2025-11-29","17:39:58",""
"7134975","8.92557","0.00007","8.92557","0.00007","9.23716","0.00014","90","","90","","120","","637.296","0.012","100","","100","","","","","","","","see text","4","R -3 :H","-R 3","148","Calcium nitridomanganate oxide","","","- Ca6 Mn2 N6 O -","- Ca6 Mn2 N6 O -","- Ca18 Mn6 N18 O3 -","3","0.166667","","Buschmann, Niklas; Werhahn, Dominik; Steinberg, Simon; Ritter, Clemens; Attfield, J. Paul; Kloß, Simon D","Multiple bonding in unbridged Mn-Mn dimers of solid-state nitridomanganate(IV) oxide Ca<sub>6</sub>[Mn<sub>2</sub>N<sub>6</sub>]O.","Chemical communications (Cambridge, England)","2025","61","80","15662","15665","10.1039/d5cc04348d","powder diffraction","","","Neutron","","","","","","","","","0.02","0.029","","","","","","","has coordinates","302460","2025-10-06","07:13:55",""
"7134976","8.95635","0.00012","8.95635","0.00012","9.25969","0.00016","90","","90","","120","","643.264","0.016","300","","300","","","","","","","","see text","4","R -3 :H","-R 3","148","Calcium nitridomanganate oxide","","","- Ca6 Mn2 N6 O -","- Ca6 Mn2 N6 O -","- Ca18 Mn6 N18 O3 -","3","0.166667","","Buschmann, Niklas; Werhahn, Dominik; Steinberg, Simon; Ritter, Clemens; Attfield, J. Paul; Kloß, Simon D","Multiple bonding in unbridged Mn-Mn dimers of solid-state nitridomanganate(IV) oxide Ca<sub>6</sub>[Mn<sub>2</sub>N<sub>6</sub>]O.","Chemical communications (Cambridge, England)","2025","61","80","15662","15665","10.1039/d5cc04348d","powder diffraction","x-ray","0.559538","AgKα","","","","","","","","","0.023","0.015","","","","","","","has coordinates","302460","2025-10-06","07:13:55",""
"7134977","10.52239","0.00008","18.32736","0.00016","17.04898","0.00011","90","","99.046","0.0006","90","","3246.96","0.04","139.99","0.1","139.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H98 Cl4 Ir2 Li2 O3 P2 -","- C64 H98 Cl4 Ir2 Li2 O3 P2 -","- C128 H196 Cl8 Ir4 Li4 O6 P4 -","2","0.5","","Genoux, Alexandre; Wong, Tak Hin; Fadaei-Tirani, Farzaneh; Severin, Kay","Covalent capture of nitrous oxide by phosphanides.","Chemical communications (Cambridge, England)","2025","61","80","15654","15657","10.1039/d5cc04154f","","x-ray","1.54184","CuKα","","0.0305","0.0277","","","0.0765","0.0779","","","","","","1.056","","","","has coordinates,has disorder","302459","2025-10-06","07:13:41",""
"7134978","11.2324","0.0005","11.8181","0.0006","36.8937","0.0013","90","","95.713","0.004","90","","4873.2","0.4","140","0.1","140","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C46 H82 K N4 O9 P -","- C38 H66 K N4 O7 P -","- C152 H264 K4 N16 O28 P4 -","4","1","","Genoux, Alexandre; Wong, Tak Hin; Fadaei-Tirani, Farzaneh; Severin, Kay","Covalent capture of nitrous oxide by phosphanides.","Chemical communications (Cambridge, England)","2025","61","80","15654","15657","10.1039/d5cc04154f","","x-ray","1.54184","CuKα","","0.136","0.0997","","","0.2896","0.3123","","","","","","1.081","","","","has coordinates","302459","2025-10-06","07:13:41",""
"7134979","17.2179","0.0006","8.7318","0.0002","21.9955","0.0007","90","","103.469","0.004","90","","3215.92","0.18","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H54 K N4 O7 P -","- C26 H54 K N4 O7 P -","- C104 H216 K4 N16 O28 P4 -","4","1","","Genoux, Alexandre; Wong, Tak Hin; Fadaei-Tirani, Farzaneh; Severin, Kay","Covalent capture of nitrous oxide by phosphanides.","Chemical communications (Cambridge, England)","2025","61","80","15654","15657","10.1039/d5cc04154f","","x-ray","1.54184","CuKα","","0.0942","0.0621","","","0.1543","0.1752","","","","","","1.016","","","","has coordinates","302459","2025-10-06","07:13:41",""
"7134980","17.92474","0.00018","22.02986","0.00018","15.23246","0.00018","90","","114.707","0.0013","90","","5464.35","0.11","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H86 Au N2 O3.5 P -","- C47 H66 Au N2 O P -","- C188 H264 Au4 N8 O4 P4 -","4","1","","Genoux, Alexandre; Wong, Tak Hin; Fadaei-Tirani, Farzaneh; Severin, Kay","Covalent capture of nitrous oxide by phosphanides.","Chemical communications (Cambridge, England)","2025","61","80","15654","15657","10.1039/d5cc04154f","","x-ray","1.54184","CuKα","","0.0338","0.0274","","","0.0697","0.0717","","","","","","1.042","","","","has coordinates","302459","2025-10-06","07:13:41",""
"7134981","16.8002","0.0004","17.1154","0.0007","24.435","0.0004","96.603","0.003","106.698","0.0018","92.909","0.003","6659.2","0.3","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C129 H228 B4 K4 N8 O10.25 P4 -","- C124 H218 B4 K4 N8 O9 P4 -","- C248 H436 B8 K8 N16 O18 P8 -","2","1","","Genoux, Alexandre; Wong, Tak Hin; Fadaei-Tirani, Farzaneh; Severin, Kay","Covalent capture of nitrous oxide by phosphanides.","Chemical communications (Cambridge, England)","2025","61","80","15654","15657","10.1039/d5cc04154f","","x-ray","1.54184","CuKα","","0.1566","0.1262","","","0.3621","0.3828","","","","","","1.601","","","","has coordinates","302459","2025-10-06","07:13:41",""
"7134982","9.869","0.006","12.442","0.007","32.249","0.019","82.407","0.01","81.941","0.01","74.764","0.008","3764","4","296.15","","296.15","","","","","","","","","3","P -1","-P 1","2","","Disila-hexaarene","","- C46 H52 Si2 -","- C46 H52 Si2 -","- C184 H208 Si8 -","4","2","","Espineira-Gutierrez, Adrian; Caro-Noakes, Ines; Zhang, Min; Mas-Torrent, Marta; Regulska, Elzbieta; Romero-Nieto, Carlos","The role of main group elements in shaping the properties of linearly-fused heterohexaarenes.","Chemical communications (Cambridge, England)","2025","61","80","15590","15593","10.1039/d5cc03235k","","x-ray","0.71073","MoKα","","0.1791","0.1091","","","0.2711","0.3603","","","","","","1.083","","","","has coordinates","302455","2025-10-06","07:12:35",""
"7134983","14.2657","0.001","8.2582","0.0005","21.5884","0.0012","90","","102.732","0.006","90","","2480.8","0.3","110","0.1","110","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H23 Fe3 N2 O19 -","- C12 H23 Fe3 N2 O19 -","- C48 H92 Fe12 N8 O76 -","4","1","","Yan, Qin-Yuan; Han, Song-De; Xu, Ting; Ji, Cui-Xian; Lv, Lin-Lin; Yao, Zhao-Quan; Zhao, Jiong-Peng; Liu, Fu-Chen","Organic ammonium modulated mixed-valence multiferroics exhibiting large spontaneous strain and exchange bias.","Chemical communications (Cambridge, England)","2025","61","84","16412","16415","10.1039/d5cc03844h","","x-ray","0.71073","MoKα","","0.0863","0.0764","","","0.2293","0.2352","","","","","","1.117","","","","has coordinates","303571","2025-11-29","17:53:49",""
"7134984","14.2147","0.0009","8.3281","0.0004","21.3984","0.0013","90","","102.558","0.006","90","","2472.6","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 Fe3 N2 O18 -","- C13 H23 Fe3 N2 O18 -","- C52 H92 Fe12 N8 O72 -","4","1","","Yan, Qin-Yuan; Han, Song-De; Xu, Ting; Ji, Cui-Xian; Lv, Lin-Lin; Yao, Zhao-Quan; Zhao, Jiong-Peng; Liu, Fu-Chen","Organic ammonium modulated mixed-valence multiferroics exhibiting large spontaneous strain and exchange bias.","Chemical communications (Cambridge, England)","2025","61","84","16412","16415","10.1039/d5cc03844h","","x-ray","0.71073","MoKα","","0.0466","0.0381","","","0.0939","0.0971","","","","","","1.093","","","","has coordinates","303571","2025-11-29","17:53:51",""
"7134985","14.3325","0.001","8.4968","0.0006","21.8494","0.0014","90","","102.465","0.007","90","","2598.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H27 Fe3 N2 O18 -","- C15 H27 Fe3 N2 O18 -","- C60 H108 Fe12 N8 O72 -","4","1","","Yan, Qin-Yuan; Han, Song-De; Xu, Ting; Ji, Cui-Xian; Lv, Lin-Lin; Yao, Zhao-Quan; Zhao, Jiong-Peng; Liu, Fu-Chen","Organic ammonium modulated mixed-valence multiferroics exhibiting large spontaneous strain and exchange bias.","Chemical communications (Cambridge, England)","2025","61","84","16412","16415","10.1039/d5cc03844h","","x-ray","0.71073","MoKα","","0.1214","0.0652","","","0.1634","0.24","","","","","","1.053","","","","has coordinates","303571","2025-11-29","17:53:51",""
"7134986","8.2548","0.0006","8.2548","0.0006","63.391","0.005","90","","90","","120","","3740.9","0.5","403","0.1","403","0.1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C12 H23 Fe3 N2 O19 -","- C12.0006 H23.0028 Fe3 N2.0004 O19.0002 -","- C72.0036 H138.017 Fe18 N12.0024 O114.001 -","6","0.166667","","Yan, Qin-Yuan; Han, Song-De; Xu, Ting; Ji, Cui-Xian; Lv, Lin-Lin; Yao, Zhao-Quan; Zhao, Jiong-Peng; Liu, Fu-Chen","Organic ammonium modulated mixed-valence multiferroics exhibiting large spontaneous strain and exchange bias.","Chemical communications (Cambridge, England)","2025","61","84","16412","16415","10.1039/d5cc03844h","","x-ray","0.71073","MoKα","","0.0458","0.0346","","","0.0947","0.1023","","","","","","1.047","","","","has coordinates,has disorder","303571","2025-11-29","17:53:51",""
"7134987","8.4183","0.0006","8.4183","0.0006","63.025","0.005","90","","90","","120","","3868.1","0.5","422.98","0.1","422.98","0.1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H27 Fe3 N2 O18 -","- C14.9994 H26.9982 Fe3 N1.9998 O18 -","- C89.9964 H161.989 Fe18 N11.9988 O108 -","6","0.166667","","Yan, Qin-Yuan; Han, Song-De; Xu, Ting; Ji, Cui-Xian; Lv, Lin-Lin; Yao, Zhao-Quan; Zhao, Jiong-Peng; Liu, Fu-Chen","Organic ammonium modulated mixed-valence multiferroics exhibiting large spontaneous strain and exchange bias.","Chemical communications (Cambridge, England)","2025","61","84","16412","16415","10.1039/d5cc03844h","","x-ray","0.71073","MoKα","","0.0464","0.0342","","","0.0855","0.0942","","","","","","1.071","","","","has coordinates,has disorder","303571","2025-11-29","17:53:51",""
"7134988","8.2967","0.0005","8.2967","0.0005","62.793","0.006","90","","90","","120","","3743.3","0.5","393","0.1","393","0.1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C13 H23 Fe3 N2 O18 -","- C12.9996 H22.9986 Fe3 N1.9998 O18 -","- C77.9976 H137.992 Fe18 N11.9988 O108 -","6","0.166667","","Yan, Qin-Yuan; Han, Song-De; Xu, Ting; Ji, Cui-Xian; Lv, Lin-Lin; Yao, Zhao-Quan; Zhao, Jiong-Peng; Liu, Fu-Chen","Organic ammonium modulated mixed-valence multiferroics exhibiting large spontaneous strain and exchange bias.","Chemical communications (Cambridge, England)","2025","61","84","16412","16415","10.1039/d5cc03844h","","x-ray","0.71073","MoKα","","0.0489","0.0378","","","0.1027","0.1083","","","","","","1.032","","","","has coordinates,has disorder","303571","2025-11-29","17:53:51",""
"7134989","18.7223","0.0013","11.2619","0.0007","8.6284","0.0007","90","","109.598","0.003","90","","1713.9","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 F O3 -","- C9 H9 F O3 -","- C72 H72 F8 O24 -","8","1","","Karbalaei, Sana; Franke, Alicja; Zahl, Achim; Pokkuluri, P. Raj; Beyers, Ronald J.; Ivanović-Burmazović, Ivana; Goldsmith, Christian R.","An Fe(II) complex detects hydrogen peroxide with <sup>1</sup>H and <sup>19</sup>F magnetic resonance imaging responses.","Chemical communications (Cambridge, England)","2025","61","81","15898","15901","10.1039/d5cc04066c","","","0.71073","MoKα","","0.0547","0.0409","","","0.1161","0.1278","","","","","","1.046","","","","has coordinates","303525","2025-11-29","17:38:18",""
"7134990","7.6681","0.0005","8.3643","0.0006","11.4816","0.0008","76.068","0.002","77.79","0.002","64.382","0.002","639.61","0.08","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H5 F O3 -","- C7 H5 F O3 -","- C28 H20 F4 O12 -","4","2","","Karbalaei, Sana; Franke, Alicja; Zahl, Achim; Pokkuluri, P. Raj; Beyers, Ronald J.; Ivanović-Burmazović, Ivana; Goldsmith, Christian R.","An Fe(II) complex detects hydrogen peroxide with <sup>1</sup>H and <sup>19</sup>F magnetic resonance imaging responses.","Chemical communications (Cambridge, England)","2025","61","81","15898","15901","10.1039/d5cc04066c","","","0.71073","MoKα","","0.0396","0.0344","","","0.1039","0.1086","","","","","","1.041","","","","has coordinates","303525","2025-11-29","17:38:18",""
"7134991","8.8479","0.0004","11.4027","0.0005","11.4991","0.0005","86.241","0.002","72.076","0.002","68.194","0.002","1023.29","0.08","170","","170","","","","","","","","","4","P 1","P 1","1","","","","- C58 H34 N4 O2 -","- C58 H34 N4 O2 -","- C58 H34 N4 O2 -","1","1","","Yin, Xiaojun; Chen, Xuefeng; Mo, Xuechao; Chen, Junjin; Huang, Mengyu; Ma, Jiacheng; Li, Yulan; Li, Nengquan; Yang, Chuluo","Charge-transfer modulated chiroptical azacyclooctatetraene-fused [5]helicenes with AIE features.","Chemical communications (Cambridge, England)","2025","61","84","16448","16451","10.1039/d5cc04747a","","","1.34139","GaKα","","0.0443","0.0423","","","0.109","0.1104","","","","","","1.067","","","","has coordinates","303575","2025-11-29","17:54:45",""
"7134992","9.0354","0.0005","11.1067","0.0006","13.6619","0.0008","106.141","0.002","96.303","0.002","107.287","0.002","1229.51","0.12","296.15","","296.15","","","","","","","","","5","P 1","P 1","1","","","","- C28.5 H21 Br Cl O4 -","- C28.5 H21 Br Cl O4 -","- C57 H42 Br2 Cl2 O8 -","2","2","","Zhai, Jing-Jing; Lou, Shao-Jie; Zhang, Xiao-Xiao; Lan, Qiu-Yi; Jing, Cheng-Cheng; Mao, Yang-Jie; Wang, Yi-Feng; Chu, Ming-Ming; Xu, Dan-Qian","Remote asymmetric conjugate addition of naphthoquinone methides: constructing adjacent tertiary-quaternary carbon stereocenters.","Chemical communications (Cambridge, England)","2025","61","85","16644","16647","10.1039/d5cc03265b","","x-ray","0.71073","MoKα","","0.0599","0.0472","","","0.1083","0.1172","","","","","","1.028","","","","has coordinates","303559","2025-11-29","17:50:03",""
"7134993","8.8073","0.0003","12.1366","0.0004","20.0872","0.0006","90","","90","","90","","2147.13","0.12","193","","193","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 O4 -","- C28 H22 O4 -","- C112 H88 O16 -","4","1","","Zhai, Jing-Jing; Lou, Shao-Jie; Zhang, Xiao-Xiao; Lan, Qiu-Yi; Jing, Cheng-Cheng; Mao, Yang-Jie; Wang, Yi-Feng; Chu, Ming-Ming; Xu, Dan-Qian","Remote asymmetric conjugate addition of naphthoquinone methides: constructing adjacent tertiary-quaternary carbon stereocenters.","Chemical communications (Cambridge, England)","2025","61","85","16644","16647","10.1039/d5cc03265b","","x-ray","1.54178","CuKα","","0.0484","0.0387","","","0.0979","0.1047","","","","","","1.05","","","","has coordinates","303559","2025-11-29","17:50:04",""
"7134994","11.628","0.0005","15.6621","0.0008","12.0951","0.0005","90","","97.484","0.002","90","","2183.98","0.17","193","","193","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H22 O4 -","- C28 H22 O4 -","- C112 H88 O16 -","4","2","","Zhai, Jing-Jing; Lou, Shao-Jie; Zhang, Xiao-Xiao; Lan, Qiu-Yi; Jing, Cheng-Cheng; Mao, Yang-Jie; Wang, Yi-Feng; Chu, Ming-Ming; Xu, Dan-Qian","Remote asymmetric conjugate addition of naphthoquinone methides: constructing adjacent tertiary-quaternary carbon stereocenters.","Chemical communications (Cambridge, England)","2025","61","85","16644","16647","10.1039/d5cc03265b","","x-ray","1.54178","CuKα","","0.0514","0.042","","","0.1077","0.1178","","","","","","1.066","","","","has coordinates","303559","2025-11-29","17:50:04",""
"7134995","5.8439","0.0002","38.1781","0.0014","9.1909","0.0005","90","","94.124","0.004","90","","2045.26","0.15","150","0.1","150","0.1","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Kumar, Pravin; Dash, Om Prakash; Volla, Chandra M. R.","Cobalt-catalyzed regioselective (4+2)-annulation of benzamides with allenyl carbinol acetates: access to 3-vinylisoquinolinones.","Chemical communications (Cambridge, England)","2025","61","87","16962","16965","10.1039/d5cc04210k","","x-ray","0.71073","MoKα","","0.0492","0.0454","","","0.1228","0.1273","","","","","","1.061","","","","has coordinates","303585","2025-11-29","17:58:27",""
"7134996","10.8475","0.0002","12.0536","0.0003","15.9663","0.0003","72.057","0.002","88.8299","0.0016","81.512","0.0018","1963.63","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 Ag P3 S -","- C48 H38 Ag P3 S -","- C96 H76 Ag2 P6 S2 -","2","1","","Łaski, Piotr; Drapała, Jakub; Kamiński, Radosław; Durka, Krzysztof; Szarejko, Dariusz; Henning, Robert; Jarzembska, Katarzyna N.","Capturing the short-lived excited singlet state in crystals of a TADF silver(I) complex.","Chemical communications (Cambridge, England)","2025","61","85","16560","16563","10.1039/d5cc04193g","","x-ray","1.54184","CuKα","","0.0685","0.0591","","","0.1409","0.1597","","","","2.127","2.127","2.1396","","","","has coordinates","303561","2025-11-29","17:50:27",""
"7134997","10.8455","0.0005","12.0698","0.0005","15.9133","0.0005","72.271","0.003","88.798","0.003","81.388","0.003","1961.13","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 Ag P3 S -","- C48 H38 Ag P3 S -","- C96 H76 Ag2 P6 S2 -","2","1","","Łaski, Piotr; Drapała, Jakub; Kamiński, Radosław; Durka, Krzysztof; Szarejko, Dariusz; Henning, Robert; Jarzembska, Katarzyna N.","Capturing the short-lived excited singlet state in crystals of a TADF silver(I) complex.","Chemical communications (Cambridge, England)","2025","61","85","16560","16563","10.1039/d5cc04193g","","x-ray","0.71069","MoKα","","0.1201","0.0477","","","0.0857","0.1185","","","","1.21","1.21","1.02","","","","has coordinates","303561","2025-11-29","17:50:27",""
"7134998","12.9547","0.0013","10.2165","0.0011","16.1046","0.0015","90","","113.338","0.003","90","","1957.1","0.3","302.15","","302","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Br N2 O -","- C21 H21 Br N2 O -","- C84 H84 Br4 N8 O4 -","4","1","","Kar, Subarna; Ramachandran, Arya; Rit, Arnab","Efficient synthetic approach to <i>m</i>-terphenyl derivatives <i>via</i> arylation of azolium salts.","Chemical communications (Cambridge, England)","2025","61","86","16802","16805","10.1039/d5cc05201g","","","0.71073","MoKα","","0.0508","0.0384","","","0.1016","0.1091","","","","","","1.032","","","","has coordinates","303509","2025-11-29","17:33:07",""
"7134999","8.71","0.003","10.081","0.004","11.048","0.004","99.774","0.012","106.774","0.013","100.943","0.013","885.5","0.6","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N O2 P -","- C21 H16 N O2 P -","- C42 H32 N2 O4 P2 -","2","1","","Meng, Li-Qin; Zhu, Xinrong; Xing, Qiaoyan; Zhang, Junliang; Wang, Huamin; Lin, Ying-Wu","Concise synthesis of phosphonylated heteroarenes from nitroheteroarenes by dearomatization/elimination.","Chemical communications (Cambridge, England)","2025","61","86","16810","16813","10.1039/d5cc04735h","","x-ray","0.71073","MoKα","","0.062","0.047","","","0.1043","0.1214","","","","","","1.086","","","","has coordinates","303508","2025-11-29","17:32:51",""
"7135000","11.6354","0.0007","11.6264","0.0007","13.4546","0.0008","90","","91.652","0.002","90","","1819.35","0.19","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N O2 P -","- C21 H18 N O2 P -","- C84 H72 N4 O8 P4 -","4","1","","Meng, Li-Qin; Zhu, Xinrong; Xing, Qiaoyan; Zhang, Junliang; Wang, Huamin; Lin, Ying-Wu","Concise synthesis of phosphonylated heteroarenes from nitroheteroarenes by dearomatization/elimination.","Chemical communications (Cambridge, England)","2025","61","86","16810","16813","10.1039/d5cc04735h","","x-ray","1.34139","GaKα","","0.047","0.0425","","","0.1034","0.1062","","","","","","1.111","","","","has coordinates","303508","2025-11-29","17:32:53",""
"7135001","9.9191","0.0002","32.4889","0.0007","38.6916","0.0009","90","","95.533","0.002","90","","12410.7","0.5","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C106 H58 N18 O17 Pd2 Zn5 -","- C106 H58 N18 O17 Pd2 Zn5 -","- C424 H232 N72 O68 Pd8 Zn20 -","4","1","","Kenny, Mitchell S.; Gładysiak, Andrzej; Lessard, Jacob M.; Pyle, Dylan; Stylianou, Kyriakos C.","Stacked, twisted, and porous: structural diversity in photoactive porphyrin-based metal-organic frameworks.","Chemical communications (Cambridge, England)","2025","61","95","18906","18909","10.1039/d5cc03635f","","x-ray","1.54184","CuKα","","0.1478","0.1402","","","0.4301","0.4441","","","","","","2.231","","","","has coordinates","303578","2025-11-29","17:55:52",""
"7135002","33.103","0.003","10.1085","0.0008","43.6","0.004","90","","98.346","0.009","90","","14435","2","172.99","0.1","172.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H36 N10 O9 Pd Zn2 -","- C56 H36 N10 O9 Pd Zn2 -","- C448 H288 N80 O72 Pd8 Zn16 -","8","1","","Kenny, Mitchell S.; Gładysiak, Andrzej; Lessard, Jacob M.; Pyle, Dylan; Stylianou, Kyriakos C.","Stacked, twisted, and porous: structural diversity in photoactive porphyrin-based metal-organic frameworks.","Chemical communications (Cambridge, England)","2025","61","95","18906","18909","10.1039/d5cc03635f","","x-ray","1.54184","CuKα","","0.1635","0.1483","","","0.3564","0.368","","","","","","1.028","","","","has coordinates","303578","2025-11-29","17:55:53",""
"7135003","22.815","0.002","9.9064","0.0005","31.625","0.002","90","","95.495","0.008","90","","7114.9","0.9","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H36 N10 O9 Pd Zn2 -","- C56 H36 N10 O9 Pd Zn2 -","- C224 H144 N40 O36 Pd4 Zn8 -","4","1","","Kenny, Mitchell S.; Gładysiak, Andrzej; Lessard, Jacob M.; Pyle, Dylan; Stylianou, Kyriakos C.","Stacked, twisted, and porous: structural diversity in photoactive porphyrin-based metal-organic frameworks.","Chemical communications (Cambridge, England)","2025","61","95","18906","18909","10.1039/d5cc03635f","","","1.54184","CuKα","","0.0698","0.0544","","","0.1476","0.1545","","","","","","1.059","","","","has coordinates","303578","2025-11-29","17:55:53",""
"7135004","33.8282","0.0006","10.4006","0.0002","43.8964","0.0008","90","","90","","90","","15444.2","0.5","173","0.1","173","0.1","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C58 H33 N14 O8.5 Pd Zn3 -","- C58 H33 N14 O8.5 Pd Zn3 -","- C464 H264 N112 O68 Pd8 Zn24 -","8","0.5","","Kenny, Mitchell S.; Gładysiak, Andrzej; Lessard, Jacob M.; Pyle, Dylan; Stylianou, Kyriakos C.","Stacked, twisted, and porous: structural diversity in photoactive porphyrin-based metal-organic frameworks.","Chemical communications (Cambridge, England)","2025","61","95","18906","18909","10.1039/d5cc03635f","","x-ray","1.54184","CuKα","","0.1102","0.1008","","","0.3503","0.3716","","","","","","1.681","","","","has coordinates","303578","2025-11-29","17:55:53",""
"7135005","13.4233","0.0019","16.051","0.002","17.725","0.003","90","","95.291","0.002","90","","3802.7","1","295.01","","295.01","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 Ag Cl Fe N12 O6 -","- C32 H34 Ag Cl Fe N12 O6 -","- C128 H136 Ag4 Cl4 Fe4 N48 O24 -","4","0.5","","Yao, Nian-Tao; Jiang, Jiao-Jiao; Qian, Bing-Yuan; Sun, Hui-Ying; Yi, Cheng; Zhao, Liang","Large dielectric modulation triggered by spin crossover in polar Hofmann-type polymers.","Chemical communications (Cambridge, England)","2025","61","85","16640","16643","10.1039/d5cc03352g","","","0.71073","MoKα","","0.0843","0.0511","","","0.1577","0.1795","","","","","","1.061","","","","has coordinates","303562","2025-11-29","17:50:56",""
"7135006","13.2411","0.0012","15.6597","0.0014","17.3891","0.0015","90","","97.325","0.001","90","","3576.2","0.5","111.01","","111.01","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 Ag Cl Fe N12 O6.16 -","- C32 H34 Ag Cl Fe N12 O6 -","- C128 H136 Ag4 Cl4 Fe4 N48 O24 -","4","0.5","","Yao, Nian-Tao; Jiang, Jiao-Jiao; Qian, Bing-Yuan; Sun, Hui-Ying; Yi, Cheng; Zhao, Liang","Large dielectric modulation triggered by spin crossover in polar Hofmann-type polymers.","Chemical communications (Cambridge, England)","2025","61","85","16640","16643","10.1039/d5cc03352g","","","0.71073","MoKα","","0.0547","0.0458","","","0.1166","0.1237","","","","","","1.051","","","","has coordinates,has disorder","303562","2025-11-29","17:50:56",""
"7135007","25.8631","0.0016","25.8631","0.0016","20.8337","0.0017","90","","90","","120","","12068.6","1.4","250.1","","250.1","","","","","","","","","6","P 65","P 65","170","","","","- C54 H30 Ag6 Fe3 N18 S3 -","- C54 H30 Ag6 Fe3 N18 S3 -","- C324 H180 Ag36 Fe18 N108 S18 -","6","1","","Yao, Nian-Tao; Jiang, Jiao-Jiao; Qian, Bing-Yuan; Sun, Hui-Ying; Yi, Cheng; Zhao, Liang","Large dielectric modulation triggered by spin crossover in polar Hofmann-type polymers.","Chemical communications (Cambridge, England)","2025","61","85","16640","16643","10.1039/d5cc03352g","","","0.71073","MoKα","","0.0393","0.0302","","","0.0695","0.0733","","","","","","1.003","","","","has coordinates","303562","2025-11-29","17:50:56",""
"7135008","25.546","0.0006","25.546","0.0006","20.356","0.0006","90","","90","","120","","11504.5","0.5","69.8","","69.8","","","","","","","","","6","P 65","P 65","170","","","","- C54 H30 Ag6 Fe3 N18 S3 -","- C54 H30 Ag6 Fe3 N18 S3 -","- C324 H180 Ag36 Fe18 N108 S18 -","6","1","","Yao, Nian-Tao; Jiang, Jiao-Jiao; Qian, Bing-Yuan; Sun, Hui-Ying; Yi, Cheng; Zhao, Liang","Large dielectric modulation triggered by spin crossover in polar Hofmann-type polymers.","Chemical communications (Cambridge, England)","2025","61","85","16640","16643","10.1039/d5cc03352g","","","0.71073","MoKα","","0.0408","0.032","","","0.0728","0.076","","","","","","1.022","","","","has coordinates","303562","2025-11-29","17:50:56",""
"7135009","10.2849","0.0003","24.4179","0.0008","10.3397","0.0003","90","","105.642","0.001","90","","2500.5","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N O6 S -","- C28 H27 N O6 S -","- C112 H108 N4 O24 S4 -","4","1","","Zheng, Jianfeng; Xiong, Dong; Ye, Yongqi; Tang, Luhao; Yang, Jiajin; Yang, Zeyu; Cai, Yunfei","Efficient syntheses of 2-amino-4<i>H</i>-pyrans <i>via</i> gold-catalyzed cyclization of diester-tethered ynamides.","Chemical communications (Cambridge, England)","2025","61","86","16858","16861","10.1039/d5cc04409j","","","0.71073","MoKα","","0.0558","0.0411","","","0.0905","0.0992","","","","","","1.068","","","","has coordinates","303511","2025-11-29","17:33:28",""
"7135010","6.3543","0.0003","8.4335","0.0006","16.8759","0.0016","98.77","0.007","99.305","0.006","90.041","0.005","881.73","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Br I N O -","- C18 H15 Br I N O -","- C36 H30 Br2 I2 N2 O2 -","2","1","","Chen, Chen; Wang, Zi-Yi; Zhang, Xiao-Xu; Wang, Kui; Zhu, Bolin","Pd-catalyzed electrophilic cross-coupling of pyridylphosphonium salts with arylthianthrenium salts to access C4-arylated pyridines.","Chemical communications (Cambridge, England)","2025","61","88","17185","17188","10.1039/d5cc05044h","","x-ray","0.71073","MoKα","","0.0604","0.0425","","","0.0914","0.1029","","","","","","1.042","","","","has coordinates","303536","2025-11-29","17:43:16",""
"7135011","15.9848","0.0018","20.213","0.002","9.8381","0.0011","90","","90","","90","","3178.7","0.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C33 H51 Al N2 Zn -","- C33 H51 Al N2 Zn -","- C132 H204 Al4 N8 Zn4 -","4","0.5","","Sahoo, Rajata Kumar; Wölper, Christoph; Möbius, Joost; Schulz, Stephan","Synthesis and reactivity of acyclic heterotrinuclear metal complexes.","Chemical communications (Cambridge, England)","2025","61","86","16774","16777","10.1039/d5cc03627e","","","0.71073","MoKα","","0.0803","0.0668","","","0.1508","0.155","","","","","","1.383","","","","has coordinates,has disorder","303516","2025-11-29","17:35:15",""
"7135012","9.7057","0.0007","14.4604","0.001","14.9677","0.001","87.7489","0.0017","72.9148","0.0018","73.06","0.0016","1918.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H114 Ga2 N4 O2 Zn2 -","- C83 H114 Ga2 N4 O2 Zn2 -","- C83 H114 Ga2 N4 O2 Zn2 -","1","0.5","","Sahoo, Rajata Kumar; Wölper, Christoph; Möbius, Joost; Schulz, Stephan","Synthesis and reactivity of acyclic heterotrinuclear metal complexes.","Chemical communications (Cambridge, England)","2025","61","86","16774","16777","10.1039/d5cc03627e","","","1.54178","CuKα","","0.0305","0.0298","","","0.0826","0.0834","","","","","","1.026","","","","has coordinates,has disorder","303516","2025-11-29","17:35:17",""
"7135013","10.9267","0.0008","11.6874","0.0011","12.7613","0.0006","93.932","0.005","104.6","0.006","111.522","0.006","1443.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H94 N4 Si2 -","- C64 H94 N4 Si2 -","- C64 H94 N4 Si2 -","1","0.5","","Sahoo, Rajata Kumar; Wölper, Christoph; Möbius, Joost; Schulz, Stephan","Synthesis and reactivity of acyclic heterotrinuclear metal complexes.","Chemical communications (Cambridge, England)","2025","61","86","16774","16777","10.1039/d5cc03627e","","","1.54178","CuKα","","0.0489","0.0457","","","0.1318","0.1348","","","","","","1.04","","","","has coordinates","303516","2025-11-29","17:35:17",""
"7135014","11.1667","0.0011","12.7101","0.0013","21.923","0.002","98.644","0.005","101.458","0.004","102.212","0.004","2919.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H53 B F20 N2 Si Zn -","- C62 H53 B F20 N2 Si Zn -","- C124 H106 B2 F40 N4 Si2 Zn2 -","2","1","","Sahoo, Rajata Kumar; Wölper, Christoph; Möbius, Joost; Schulz, Stephan","Synthesis and reactivity of acyclic heterotrinuclear metal complexes.","Chemical communications (Cambridge, England)","2025","61","86","16774","16777","10.1039/d5cc03627e","","","1.54178","CuKα","","0.0342","0.0302","","","0.0812","0.0844","","","","","","1.025","","","","has coordinates,has disorder","303516","2025-11-29","17:35:17",""
"7135015","12.1549","0.0007","32.569","0.002","18.1556","0.0011","90","","101.686","0.002","90","","7038.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H115 Ga N4 Si Zn -","- C74 H115 Ga N4 Si Zn -","- C296 H460 Ga4 N16 Si4 Zn4 -","4","1","","Sahoo, Rajata Kumar; Wölper, Christoph; Möbius, Joost; Schulz, Stephan","Synthesis and reactivity of acyclic heterotrinuclear metal complexes.","Chemical communications (Cambridge, England)","2025","61","86","16774","16777","10.1039/d5cc03627e","","","1.54178","CuKα","","0.0422","0.0409","","","0.1087","0.1097","","","","","","1.055","","","","has coordinates,has disorder","303516","2025-11-29","17:35:17",""
"7135016","17.5328","0.0012","19.9362","0.0013","20.5665","0.0014","90","","93.366","0.003","90","","7176.4","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H113.5 Ga N4 Si Zn -","- C74 H113.5 Ga N4 Si Zn -","- C296 H454 Ga4 N16 Si4 Zn4 -","4","0.5","","Sahoo, Rajata Kumar; Wölper, Christoph; Möbius, Joost; Schulz, Stephan","Synthesis and reactivity of acyclic heterotrinuclear metal complexes.","Chemical communications (Cambridge, England)","2025","61","86","16774","16777","10.1039/d5cc03627e","","","1.54178","CuKα","","0.0494","0.0462","","","0.1185","0.1217","","","","","","1.086","","","","has coordinates,has disorder","303516","2025-11-29","17:35:18",""
"7135017","9.876","0.0008","16.0049","0.0013","20.269","0.0017","90","","90","","90","","3203.8","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H51 Ga N2 Zn -","- C33 H51 Ga N2 Zn -","- C132 H204 Ga4 N8 Zn4 -","4","1","","Sahoo, Rajata Kumar; Wölper, Christoph; Möbius, Joost; Schulz, Stephan","Synthesis and reactivity of acyclic heterotrinuclear metal complexes.","Chemical communications (Cambridge, England)","2025","61","86","16774","16777","10.1039/d5cc03627e","","","1.54178","CuKα","","0.0271","0.027","","","0.0711","0.0713","","","","","","1.079","","","","has coordinates","303516","2025-11-29","17:35:18",""
"7135018","17.5441","0.0008","20.0646","0.0009","20.5353","0.001","90","","93.8778","0.0017","90","","7212.2","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H120 Ga2 N4 Zn -","- C74.006 H120.014 Ga2 N4 Zn -","- C296.024 H480.056 Ga8 N16 Zn4 -","4","0.5","","Sahoo, Rajata Kumar; Wölper, Christoph; Möbius, Joost; Schulz, Stephan","Synthesis and reactivity of acyclic heterotrinuclear metal complexes.","Chemical communications (Cambridge, England)","2025","61","86","16774","16777","10.1039/d5cc03627e","","","1.54178","CuKα","","0.0427","0.0411","","","0.1103","0.1119","","","","","","1.073","","","","has coordinates,has disorder","303516","2025-11-29","17:35:18",""
"7135019","17.6429","0.0008","20.0099","0.001","20.5546","0.001","90","","92.706","0.002","90","","7248.4","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H120 Al Ga N4 Zn -","- C74 H120 Al Ga N4 Zn -","- C296 H480 Al4 Ga4 N16 Zn4 -","4","0.5","","Sahoo, Rajata Kumar; Wölper, Christoph; Möbius, Joost; Schulz, Stephan","Synthesis and reactivity of acyclic heterotrinuclear metal complexes.","Chemical communications (Cambridge, England)","2025","61","86","16774","16777","10.1039/d5cc03627e","","","1.54178","CuKα","","0.0713","0.0644","","","0.1747","0.1827","","","","","","1.086","","","","has coordinates,has disorder","303516","2025-11-29","17:35:18",""
"7135020","16.4935","0.0007","17.0584","0.0008","24.336","0.0011","90","","92.0203","0.0014","90","","6842.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H102 Ga N4 Si Zn -","- C74 H102 Ga N4 Si Zn -","- C296 H408 Ga4 N16 Si4 Zn4 -","4","0.5","","Sahoo, Rajata Kumar; Wölper, Christoph; Möbius, Joost; Schulz, Stephan","Synthesis and reactivity of acyclic heterotrinuclear metal complexes.","Chemical communications (Cambridge, England)","2025","61","86","16774","16777","10.1039/d5cc03627e","","","1.54178","CuKα","","0.0304","0.0298","","","0.0809","0.0814","","","","","","1.047","","","","has coordinates,has disorder","303516","2025-11-29","17:35:18",""
"7135021","6.0018","0.0002","16.2806","0.0005","16.8345","0.0005","107.589","0.001","97.731","0.001","95.825","0.001","1536.1","0.08","103","","103","","","","","","","","Methanol","3","P -1","-P 1","2","","YD_YP_BIS_1631_YP","","- C78 H78 O12 -","- C78 H78 O12 -","- C78 H78 O12 -","1","0.5","","Yamini, Pokhriyal; Duklan, Bhoomika; Nirmal, Mukesh; Yadagiri, Dongari","Light-induced intramolecular carbene C(sp<sup>3</sup>)-H insertion of <i>N</i>-tosylhydrazones; synthesis of functionalized coumarans and indolines.","Chemical communications (Cambridge, England)","2025","61","87","17017","17020","10.1039/d5cc04412j","","","0.71073","MoKα","","0.0986","0.0706","","","0.1749","0.1958","","","","","","1.033","","","","has coordinates","303584","2025-11-29","17:58:17",""
"7135022","12.8099","0.0004","7.7737","0.0002","18.5183","0.0005","90","","90","","90","","1844.06","0.09","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C64 H72 N24 O16 -","8","1","","Kumar, Prashant; Kant, Ruchir; Rastogi, Namrata","Nitrogen atom insertion into NN double bonds: straightforward access to triazenes.","Chemical communications (Cambridge, England)","2025","61","85","16632","16635","10.1039/d5cc04472c","","x-ray","1.54184","CuKα","","0.0526","0.045","","","0.1267","0.1351","","","","","","1.075","","","","has coordinates","303558","2025-11-29","17:49:52",""
"7135023","15.204","0.014","6.943","0.007","15.282","0.013","90","","90","","90","","1613","3","296","2","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","0.5","","Bai, Fang; Liu, Pengpeng; Xu, Hongyan; Li, Mengjie; Liu, Binghui; Xu, Miaomiao; Gao, Qinghe","Auto-oxidation-driven vicinal C(sp<sup>3</sup>)-H desaturative cyclization of tertiary alkylamines for the synthesis of pyrido[3,2-<i>c</i>]coumarins.","Chemical communications (Cambridge, England)","2025","61","86","16818","16821","10.1039/d5cc04794c","","","0.71073","MoKα","","0.0983","0.0517","","","0.1189","0.1452","","","","","","1.033","","","","has coordinates","303510","2025-11-29","17:33:16",""
"7135024","7.6415","0.0003","15.8785","0.0005","21.8456","0.0006","90","","97.457","0.003","90","","2628.23","0.15","100","15","100","15","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Dy2 O20 -","- C20 H20 Dy2 O20 -","- C80 H80 Dy8 O80 -","4","1","","Shao, Xueying; Yang, Yue; Dong, Xiaofang; Wang, Shen; Liang, Yulu; Liu, Zhongyi; Min, Hui; Wang, Yu-Xia; Cheng, Peng","Magnetic modulation and magnetocaloric effect of lanthanide porous organic frameworks with croconic acid.","Chemical communications (Cambridge, England)","2025","61","86","16862","16865","10.1039/d5cc04708k","","x-ray","1.54184","CuKα","","0.1134","0.0928","","","0.2255","0.2412","","","","","","1.101","","","","has coordinates","303513","2025-11-29","17:34:15",""
"7135025","21.7419","0.0003","21.7419","0.0003","7.7397","0.0002","90","","90","","90","","3658.64","0.12","100","0.1","100.15","","","","","","","","","5","P 4/m","-P 4","83","","","","- C60 H50 Cl1.5 Dy8.5 O86 -","- C60 H50 Cl1.5 Dy8.5 O86 -","- C60 H50 Cl1.5 Dy8.5 O86 -","1","0.125","","Shao, Xueying; Yang, Yue; Dong, Xiaofang; Wang, Shen; Liang, Yulu; Liu, Zhongyi; Min, Hui; Wang, Yu-Xia; Cheng, Peng","Magnetic modulation and magnetocaloric effect of lanthanide porous organic frameworks with croconic acid.","Chemical communications (Cambridge, England)","2025","61","86","16862","16865","10.1039/d5cc04708k","","","1.54184","CuKα","","0.0424","0.0365","","","0.0913","0.0944","","","","","","1.039","","","","has coordinates,has disorder","303513","2025-11-29","17:34:15",""
"7135026","21.8854","0.0002","21.8854","0.0002","7.7744","0.0001","90","","90","","90","","3723.71","0.07","100.02","0.1","100.02","0.1","","","","","","","","5","P 4/m","-P 4","83","","","","- C60 H52 Cl1.5 Gd8.5 O86 -","- C60 H52 Cl1.5 Gd8.5 O86 -","- C60 H52 Cl1.5 Gd8.5 O86 -","1","0.125","","Shao, Xueying; Yang, Yue; Dong, Xiaofang; Wang, Shen; Liang, Yulu; Liu, Zhongyi; Min, Hui; Wang, Yu-Xia; Cheng, Peng","Magnetic modulation and magnetocaloric effect of lanthanide porous organic frameworks with croconic acid.","Chemical communications (Cambridge, England)","2025","61","86","16862","16865","10.1039/d5cc04708k","","x-ray","1.54184","CuKα","","0.0727","0.0671","","","0.1861","0.1909","","","","","","1.092","","","","has coordinates,has disorder","303513","2025-11-29","17:34:15",""
"7135027","13.1083","0.0004","6.8867","0.0002","21.4225","0.0006","90","","92.066","0.002","90","","1932.61","0.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C88 H88 N8 O16 -","8","2","","Shi, Yaolian; Gong, Yuchen; Li, Ganpeng; Zhao, Xiao-Jing; He, Yonghui","Cobalt-salen complexes/organic photoredox-cocatalyzed selective oxidative formylation of enaminones.","Chemical communications (Cambridge, England)","2025","61","88","17173","17176","10.1039/d5cc03796d","","","1.54178","CuKα","","0.0699","0.0469","","","0.1165","0.1324","","","","","","1.078","","","","has coordinates","303535","2025-11-29","17:43:07",""
"7135028","9.94331","0.00006","17.65986","0.00011","18.49899","0.0001","90","","99.9045","0.0005","90","","3199.96","0.03","123","0.1","123","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C68 H92 N4 O P4 -","- C68 H92 N4 O P4 -","- C136 H184 N8 O2 P8 -","2","1","","Wieneke, Jan; Cirigliano, Francesco; Schorpp, Marcel","A diazadiphospholenium cation featuring a reactive PP bond: synthesis and reversible main-group bond activation.","Chemical communications (Cambridge, England)","2025","61","90","17601","17604","10.1039/d5cc04820f","","x-ray","1.54184","CuKα","","0.0308","0.0299","","","0.0784","0.079","","","","","","1.032","","","","has coordinates,has disorder","303549","2025-11-29","17:47:16",""
"7135029","9.845","0.0002","10.4186","0.0003","21.0183","0.0005","82.912","0.002","80.297","0.002","71.16","0.002","2005.68","0.09","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H51 N2 P Se2 -","- C44 H51 N2 P Se2 -","- C88 H102 N4 P2 Se4 -","2","1","","Wieneke, Jan; Cirigliano, Francesco; Schorpp, Marcel","A diazadiphospholenium cation featuring a reactive PP bond: synthesis and reversible main-group bond activation.","Chemical communications (Cambridge, England)","2025","61","90","17601","17604","10.1039/d5cc04820f","","x-ray","1.54184","CuKα","","0.0543","0.0456","","","0.1217","0.1268","","","","","","1.039","","","","has coordinates","303549","2025-11-29","17:47:17",""
"7135030","12.1447","0.0001","29.8408","0.0003","13.06799","0.0001","90","","94.1461","0.0007","90","","4723.54","0.07","123","0.1","123","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H57 F6 N2 O3 P2 S -","- C45 H55 F5 N2 O3 P2 S -","- C180 H220 F20 N8 O12 P8 S4 -","4","1","","Wieneke, Jan; Cirigliano, Francesco; Schorpp, Marcel","A diazadiphospholenium cation featuring a reactive PP bond: synthesis and reversible main-group bond activation.","Chemical communications (Cambridge, England)","2025","61","90","17601","17604","10.1039/d5cc04820f","","x-ray","1.54184","CuKα","","0.0527","0.0496","","","0.1323","0.1339","","","","","","1.075","","","","has coordinates,has disorder","303549","2025-11-29","17:47:17",""
"7135031","12.0999","0.0001","14.6052","0.0001","41.8681","0.0004","85.433","0.001","87.238","0.001","68.411","0.001","6856.66","0.11","288","5","288","5","","","","","","","","4","P -1","-P 1","2","","","","- C67.76 H90.76 N4 P2 -","- C64 H82 N4 P2 -","- C256 H328 N16 P8 -","4","2","","Wieneke, Jan; Cirigliano, Francesco; Schorpp, Marcel","A diazadiphospholenium cation featuring a reactive PP bond: synthesis and reversible main-group bond activation.","Chemical communications (Cambridge, England)","2025","61","90","17601","17604","10.1039/d5cc04820f","","x-ray","1.54184","CuKα","","0.0651","0.056","","","0.1762","0.1846","","","","","","1.078","","","","has coordinates,has disorder","303549","2025-11-29","17:47:17",""
"7135032","12.1104","0.0002","13.7238","0.0002","20.3093","0.0003","90","","97.664","0.001","90","","3345.27","0.09","123","0.1","123","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 F3 N2 O3 P2 S -","- C33 H41 F3 N2 O3 P2 S -","- C132 H164 F12 N8 O12 P8 S4 -","4","1","","Wieneke, Jan; Cirigliano, Francesco; Schorpp, Marcel","A diazadiphospholenium cation featuring a reactive PP bond: synthesis and reversible main-group bond activation.","Chemical communications (Cambridge, England)","2025","61","90","17601","17604","10.1039/d5cc04820f","","x-ray","1.54184","CuKα","","0.0489","0.038","","","0.0895","0.0945","","","","","","1.0083","","","","has coordinates","303549","2025-11-29","17:47:17",""
"7135033","22.3323","0.0001","21.5645","0.0001","29.5421","0.0002","90","","90","","90","","14227","0.13","123","0.1","123","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C76 H102 N4 P4 -","- C76 H102 N4 P4 -","- C608 H816 N32 P32 -","8","1","","Wieneke, Jan; Cirigliano, Francesco; Schorpp, Marcel","A diazadiphospholenium cation featuring a reactive PP bond: synthesis and reversible main-group bond activation.","Chemical communications (Cambridge, England)","2025","61","90","17601","17604","10.1039/d5cc04820f","","x-ray","1.54184","CuKα","","0.0362","0.0309","","","0.079","0.0819","","","","","","1.03","","","","has coordinates","303549","2025-11-29","17:47:17",""
"7135034","10.4857","0.0001","13.3395","0.0001","16.2297","0.0001","94.945","0.001","99.955","0.001","94.997","0.001","2215.54","0.03","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C45 H51 F3 N2 O3 P2 S3 -","- C45 H51 F3 N2 O3 P2 S3 -","- C90 H102 F6 N4 O6 P4 S6 -","2","1","","Wieneke, Jan; Cirigliano, Francesco; Schorpp, Marcel","A diazadiphospholenium cation featuring a reactive PP bond: synthesis and reversible main-group bond activation.","Chemical communications (Cambridge, England)","2025","61","90","17601","17604","10.1039/d5cc04820f","","x-ray","1.54184","CuKα","","0.043","0.038","","","0.0968","0.0997","","","","","","1.0473","","","","has coordinates","303549","2025-11-29","17:47:17",""
"7135035","21.4394","0.0016","13.9197","0.0011","12.5913","0.0009","90","","105.292","0.002","90","","3624.6","0.5","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl N4 O2 -","- C21 H17 Cl N4 O2 -","- C168 H136 Cl8 N32 O16 -","8","2","","Guo, Ting-Ting; Zhao, Qing-Sheng; Yang, Shu; Chen, Tian-Tian; Liu, Jin; Yan, Sheng-Jiao","Rh(III)-catalyzed cyclization of 5-amino-pyrazoles with maleimides to pyrazoloquinazolines.","Chemical communications (Cambridge, England)","2025","61","86","16846","16849","10.1039/d5cc04547a","","x-ray","0.71073","MoKα","","0.0758","0.0516","","","0.0993","0.1125","","","","","","1.064","","","","has coordinates","303512","2025-11-29","17:33:42",""
"7135036","9.5672","0.0009","35.984","0.003","5.9462","0.0004","90","","95.563","0.003","90","","2037.4","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cl N4 O4 -","- C21 H21 Cl N4 O4 -","- C84 H84 Cl4 N16 O16 -","4","1","","Guo, Ting-Ting; Zhao, Qing-Sheng; Yang, Shu; Chen, Tian-Tian; Liu, Jin; Yan, Sheng-Jiao","Rh(III)-catalyzed cyclization of 5-amino-pyrazoles with maleimides to pyrazoloquinazolines.","Chemical communications (Cambridge, England)","2025","61","86","16846","16849","10.1039/d5cc04547a","","x-ray","0.71073","MoKα","","0.1273","0.112","","","0.2267","0.2344","","","","","","1.125","","","","has coordinates","303512","2025-11-29","17:33:43",""
"7135037","10.6661","0.0004","4.919","0.0002","23.7529","0.001","90","","102.205","0.002","90","","1218.06","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O -","- C14 H14 N4 O -","- C56 H56 N16 O4 -","4","1","","Guo, Ting-Ting; Zhao, Qing-Sheng; Yang, Shu; Chen, Tian-Tian; Liu, Jin; Yan, Sheng-Jiao","Rh(III)-catalyzed cyclization of 5-amino-pyrazoles with maleimides to pyrazoloquinazolines.","Chemical communications (Cambridge, England)","2025","61","86","16846","16849","10.1039/d5cc04547a","","x-ray","0.71073","MoKα","","0.0582","0.045","","","0.1038","0.1129","","","","","","1.046","","","","has coordinates","303512","2025-11-29","17:33:43",""
"7135038","9.7987","0.001","20.5217","0.0016","28.652","0.003","90","","90","","90","","5761.5","1","149.99","0.1","149.99","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H37 N O -","- C36 H37 N O -","- C288 H296 N8 O8 -","8","1","","Yu, Yue; Guan, Ning; Zhao, Chunying; Cao, Hua; Ma, Yan-Long","Mechanochemically controllable synthesis of mono- or di-alkenylated indolizines.","Chemical communications (Cambridge, England)","2025","61","86","16834","16837","10.1039/d5cc05156h","","x-ray","0.71073","MoKα","","0.1279","0.0831","","","0.15","0.17","","","","","","1.086","","","","has coordinates","303515","2025-11-29","17:34:42",""
"7135039","11.4318","0.0011","11.308","0.0009","18.3289","0.0016","90","","93.843","0.009","90","","2364.1","0.4","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H61 N O3 -","- C57 H61 N O3 -","- C114 H122 N2 O6 -","2","1","","Yu, Yue; Guan, Ning; Zhao, Chunying; Cao, Hua; Ma, Yan-Long","Mechanochemically controllable synthesis of mono- or di-alkenylated indolizines.","Chemical communications (Cambridge, England)","2025","61","86","16834","16837","10.1039/d5cc05156h","","x-ray","0.71073","MoKα","","0.111","0.0698","","","0.1099","0.1311","","","","","","1.085","","","","has coordinates","303515","2025-11-29","17:34:42",""
"7135040","7.2945","0.0018","7.969","0.002","8.237","0.002","107.653","0.009","101.435","0.009","95.312","0.009","441.19","0.19","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C H9 B3 F2 N4 O5 -","- C H9 B3 F2 N4 O5 -","- C2 H18 B6 F4 N8 O10 -","2","1","","Shen, Chunjie; Zhou, Huan; Hu, Chenhui; Yang, Zhihua; Zhang, Feng; Pan, Shilie","CN<sub>4</sub>H<sub>7</sub>B<sub>3</sub>O<sub>3</sub>F<sub>2</sub>(OH)<sub>2</sub>: short-wave UV hydroxyfluorooxyborate crystals with large birefringence.","Chemical communications (Cambridge, England)","2025","61","87","16997","17000","10.1039/d5cc04333f","","","0.71073","MoKα","","0.0718","0.0429","","","0.1002","0.1189","","","","","","1.026","","","","has coordinates","303586","2025-11-29","17:58:35",""
"7135041","7.818","0.0003","11.1147","0.0003","13.4404","0.0002","66.714","0.002","82.325","0.002","70.712","0.003","1012.55","0.06","93","2","93.15","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 Cd3 Cl7 N -","- C8 H20 Cd3 Cl7 N -","- C16 H40 Cd6 Cl14 N2 -","2","1","","Chen, Hui-Ping; Wang, Zhen-Yu; Qi, Jun-Chao; Peng, Hang; Yang, Tian-En; Zhang, Xiao-Xuan; Luo, Xin-Yu; Liao, Wei-Qiang","A five- and six-coordinated two-dimensional metal halide organic-inorganic phase transition material.","Chemical communications (Cambridge, England)","2025","61","85","16636","16639","10.1039/d5cc04326c","","","1.54184","CuKα","","0.0336","0.0314","","","0.0874","0.0891","","","","","","1.041","","","","has coordinates,has disorder","303560","2025-11-29","17:50:17",""
"7135042","7.855","0.0002","11.1928","0.0003","13.5318","0.0003","67.72","0.003","81.919","0.002","69.603","0.003","1031.81","0.05","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 Cd3 Cl7 N -","- C8 H20 Cd3 Cl7 N -","- C16 H40 Cd6 Cl14 N2 -","2","1","","Chen, Hui-Ping; Wang, Zhen-Yu; Qi, Jun-Chao; Peng, Hang; Yang, Tian-En; Zhang, Xiao-Xuan; Luo, Xin-Yu; Liao, Wei-Qiang","A five- and six-coordinated two-dimensional metal halide organic-inorganic phase transition material.","Chemical communications (Cambridge, England)","2025","61","85","16636","16639","10.1039/d5cc04326c","","","1.54184","CuKα","","0.0614","0.0572","","","0.1538","0.1585","","","","","","1.022","","","","has coordinates,has disorder","303560","2025-11-29","17:50:17",""
"7135043","9.8569","0.0002","13.5366","0.0002","13.7081","0.0002","90","","90","","90","","1829.06","0.05","298","2","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","1","","Huang, Yinghong; Zheng, Renhua; Cheng, Xiaomeng; Geng, Xiao; Wang, Lei; Zhu, Bihong","Dehalogenation hydrolysis of CF<sub>2</sub>Br<sub>2</sub> enables four-component aminocarbonylation <i>via</i> photocatalytic radical-polar crossover.","Chemical communications (Cambridge, England)","2025","61","87","17033","17036","10.1039/d5cc04462f","","","1.54178","CuKα","","0.0678","0.0658","","","0.1611","0.1637","","","","","","1.123","","","","has coordinates","303583","2025-11-29","17:58:06",""
"7135044","8.33","0.0008","17.1545","0.0014","11.1957","0.0009","90","","97.513","0.004","90","","1586.1","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 F3 N O -","- C19 H14 F3 N O -","- C76 H56 F12 N4 O4 -","4","1","","Sachin, ?; Sharma, Tamanna; Rav, Shourabh; Sharma, Upendra","Ru(II)-catalysed, inherent-directing-group-enabled site-selective C-H vinyl trifluoromethylation of isoquinolones and benzamides.","Chemical communications (Cambridge, England)","2025","61","89","17416","17419","10.1039/d5cc04761g","","x-ray","0.71073","MoKα","","0.0829","0.0724","","","0.1952","0.2044","","","","","","1.075","","","","has coordinates","303545","2025-11-29","17:45:25",""
"7135045","16.7777","0.0016","19.0804","0.0016","7.7909","0.0006","90","","97.375","0.009","90","","2473.4","0.4","223","","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Dy N4 O3 -","- C27 H27 Dy N4 O3 -","- C108 H108 Dy4 N16 O12 -","4","1","","Hasegawa, Natsuki; Yanai, Akiho; Masaki, Hinako; Kirishima, Akira; Tsunashima, Ryo; Masuya-Suzuki, Atsuko","Stepwise selective crystallization of Fe and Dy complexes from a Fe/Nd/Dy mixture: separation despite charge and solubility similarity.","Chemical communications (Cambridge, England)","2025","61","89","17384","17387","10.1039/d5cc03074a","","","0.71073","MoKα","","0.1104","0.052","","","0.1019","0.1229","","","","","","0.946","","","","has coordinates","303544","2025-11-29","17:45:15",""
"7135046","12.0273","0.0007","5.9723","0.0003","24.2673","0.0016","90","","91.698","0.005","90","","1742.37","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 O2 P -","- C23 H17 O2 P -","- C92 H68 O8 P4 -","4","1","","Eichhorn, Katharina; Bruhn, Clemens; Pietschnig, Rudolf","β-Carboxyphospholes <i>via</i> carboxylative desilylation: luminophores with a versatile connectivity attached.","Chemical communications (Cambridge, England)","2025","61","88","17129","17132","10.1039/d5cc04850h","","x-ray","0.71073","MoKα","","0.0524","0.04","","","0.0959","0.1022","","","","","","1.033","","","","has coordinates","303537","2025-11-29","17:43:26",""
"7135047","11.0559","0.0004","16.5376","0.0005","18.8101","0.0008","90","","90","","90","","3439.2","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H32 O3 P2 -","- C46 H32 O3 P2 -","- C184 H128 O12 P8 -","4","1","","Eichhorn, Katharina; Bruhn, Clemens; Pietschnig, Rudolf","β-Carboxyphospholes <i>via</i> carboxylative desilylation: luminophores with a versatile connectivity attached.","Chemical communications (Cambridge, England)","2025","61","88","17129","17132","10.1039/d5cc04850h","","x-ray","0.71073","MoKα","","0.0431","0.0346","","","0.0767","0.0808","","","","","","1.023","","","","has coordinates","303537","2025-11-29","17:43:26",""
"7135048","10.7711","0.0005","9.923","0.0005","15.3315","0.0007","90","","110.531","0.003","90","","1534.57","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 O S Si2 -","- C12 H20 O S Si2 -","- C48 H80 O4 S4 Si8 -","4","1","","An, Kun; Liu, Mengqing; Wang, Jingxia; Nishiura, Masayoshi; Cong, Xuefeng; Hou, Zhaomin","Synthesis of [1,3]-thiasilolanes <i>via</i> rare-earth-catalysed intramolecular α-C(sp<sup>3</sup>)-H silylation of alkyl sulphides with hydrosilanes.","Chemical communications (Cambridge, England)","2025","61","88","17181","17184","10.1039/d5cc04330a","","","0.71073","MoKα","","0.0423","0.0353","","","0.0941","0.0993","","","","","","0.936","","","","has coordinates","303539","2025-11-29","17:43:49",""
"7135049","7.208","0.003","9.749","0.004","12.523","0.005","73.203","0.014","76.884","0.016","78.341","0.012","811.6","0.6","150.01","","150.01","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C42 H38 N2 O4 -","2","1","","Maiti, Sandip; Roy, Charles Patriot; Kabir, Syed Ramizul; Dash, Jyotirmayee","Rh(II)-catalyzed synthesis of furo[2,3-<i>b</i>]indoles from 3-diazooxindoles and electron-rich arylacetylenes.","Chemical communications (Cambridge, England)","2025","61","94","18649","18652","10.1039/d5cc04468e","","x-ray","0.71073","MoKα","","0.0938","0.0566","","","0.1334","0.1627","","","","","","1.069","","","","has coordinates","303555","2025-11-29","17:49:18",""
"7135050","11.3303","0.0013","14.1464","0.0016","14.8702","0.0016","97.934","0.005","108.308","0.004","112.348","0.004","2000.8","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 N O4 S -","- C24 H19 N O4 S -","- C96 H76 N4 O16 S4 -","4","2","","Maiti, Sandip; Roy, Charles Patriot; Kabir, Syed Ramizul; Dash, Jyotirmayee","Rh(II)-catalyzed synthesis of furo[2,3-<i>b</i>]indoles from 3-diazooxindoles and electron-rich arylacetylenes.","Chemical communications (Cambridge, England)","2025","61","94","18649","18652","10.1039/d5cc04468e","","","0.71073","MoKα","","0.0613","0.0462","","","0.1208","0.126","","","","","","1.043","","","","has coordinates","303555","2025-11-29","17:49:19",""
"7135051","23.6123","0.0006","9.4715","0.0002","17.1625","0.0004","90","","100.183","0.001","90","","3777.83","0.15","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 O3 -","- C25 H18 O3 -","- C200 H144 O24 -","8","1","","Begum, Fathima; Bhumannagari, Haripriya; Balasubramanian, Sridhar; Nayani, Kiranmai","Divergent coupling of <i>ortho</i>-alkynylnaphthols and <i>p</i>-quinone monoketals through a Michael addition/intramolecular annulation cascade to access benzofuryl β-naphthols.","Chemical communications (Cambridge, England)","2025","61","77","15003","15006","10.1039/d5cc02688a","","","0.71073","MoKα","","0.0821","0.0423","","","0.0963","0.1174","","","","","","1.012","","","","has coordinates","302365","2025-10-04","05:14:02",""
"7135052","28.2559","0.0015","13.6584","0.0008","10.0502","0.0005","90","","91.917","0.003","90","","3876.5","0.4","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H17 F O3 -","- C25 H17 F O3 -","- C200 H136 F8 O24 -","8","1","","Begum, Fathima; Bhumannagari, Haripriya; Balasubramanian, Sridhar; Nayani, Kiranmai","Divergent coupling of <i>ortho</i>-alkynylnaphthols and <i>p</i>-quinone monoketals through a Michael addition/intramolecular annulation cascade to access benzofuryl β-naphthols.","Chemical communications (Cambridge, England)","2025","61","77","15003","15006","10.1039/d5cc02688a","","","0.71073","MoKα","","0.1173","0.0464","","","0.1173","0.1495","","","","","","1.01","","","","has coordinates","302365","2025-10-04","05:14:03",""
"7135053","10.2845","0.0018","16.121","0.003","17.626","0.003","98.505","0.005","98.503","0.005","106.719","0.005","2711.5","0.8","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H22 O2 -","- C36 H22 O2 -","- C144 H88 O8 -","4","2","","Begum, Fathima; Bhumannagari, Haripriya; Balasubramanian, Sridhar; Nayani, Kiranmai","Divergent coupling of <i>ortho</i>-alkynylnaphthols and <i>p</i>-quinone monoketals through a Michael addition/intramolecular annulation cascade to access benzofuryl β-naphthols.","Chemical communications (Cambridge, England)","2025","61","77","15003","15006","10.1039/d5cc02688a","","","0.71073","MoKα","","0.1094","0.0546","","","0.1276","0.1534","","","","","","1.023","","","","has coordinates","302365","2025-10-04","05:14:03",""
"7135054","9.0938","0.0005","11.5029","0.0012","12.1234","0.0008","111.969","0.008","98.763","0.005","94.676","0.006","1149","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11.5 Cl N1.5 O1.5 -","- C11 H9.5 N1.5 O1.5 -","- C44 H38 N6 O6 -","4","2","","Thakur, Rekha; Luxami, Vijay; Paul, Kamaldeep","Ruthenium(II)-catalyzed C-2 alkenylation of indole with olefins <i>via</i> a quinazolin-4(3<i>H</i>)-one directing group: a platform for selective fluorescent anion sensors.","Chemical communications (Cambridge, England)","2025","61","75","14374","14377","10.1039/d5cc00984g","","x-ray","0.71073","MoKα","","0.1149","0.0715","","","0.2078","0.2514","","","","","","0.993","","","","has coordinates","302366","2025-10-04","05:16:37",""
"7135055","8.5658","0.0001","10.1115","0.0001","23.1709","0.0003","96.106","0.001","98.963","0.001","101.388","0.001","1923.78","0.04","100","10","100","10","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N3 O3 -","- C21 H25 N3 O3 -","- C84 H100 N12 O12 -","4","2","","Paul, Subhankar; Chaudhuri, Debangshu","Side-chain dependent direct <i>vs.</i> indirect photoresponse in hydrazone-based supramolecular polymers.","Chemical communications (Cambridge, England)","2025","61","75","14366","14369","10.1039/d5cc03591k","","x-ray","1.54184","CuKα","","0.0512","0.047","","","0.1318","0.1364","","","","","","1.05","","","","has coordinates","302367","2025-10-04","05:17:17",""
"7135056","17.1","0.003","17.498","0.003","13.593","0.003","90","","112.31","0.005","90","","3762.8","1.2","152","2","152","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 F6 N4 -","- C38 H22 F6 N4 -","- C152 H88 F24 N16 -","4","1","","Panua, Anirban; Velmurugan, Gunasekaran; Comba, Peter; Rath, Harapriya","Targeted synthesis of a positional isomer of aromatic <i>N</i>-methyl <i>N</i>-confused corrole and its organocopper(III) complex.","Chemical communications (Cambridge, England)","2025","61","89","17436","17439","10.1039/d5cc05372b","","","0.71073","MoKα","","0.1813","0.1217","","","0.2939","0.3316","","","","","","1.102","","","","has coordinates","303541","2025-11-29","17:44:32",""
"7135057","9.4002","0.0002","10.6999","0.0002","17.6147","0.0004","90","","90","","90","","1771.71","0.06","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","SMB_5_111A","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Ghosh, Subhadeep; Biswas, Sumit; Das, Indrajit","Electro-carbo-cyclization of alkyne-, alkene-, and nitrile-tethered α-halocarbonyls.","Chemical communications (Cambridge, England)","2025","61","89","17448","17451","10.1039/d5cc04237b","","x-ray","1.54178","CuKα","","0.0374","0.0339","","","0.0891","0.09","","","","","","1.073","","","","has coordinates","303543","2025-11-29","17:45:05",""
"7135058","15.876","0.0002","14.4684","0.0001","20.2954","0.0002","90","","104.386","0.001","90","","4515.68","0.08","122.99","0.1","122.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H76 O2 P2 -","- C46 H76 O2 P2 -","- C184 H304 O8 P8 -","4","0.5","","Uttendorfer, Maria K.; Schneider, Lisa M.; Diener, Lukas S.; Hierlmeier, Gabriele; Balázs, Gábor; Wolf, Robert","A radical path to 1,2-diphosphacyclobutenes.","Chemical communications (Cambridge, England)","2025","61","89","17464","17467","10.1039/d5cc05221a","","x-ray","1.54184","CuKα","","0.0438","0.0414","","","0.1167","0.1185","","","","","","1.062","","","","has coordinates","303542","2025-11-29","17:44:50",""
"7135059","14.989","0.0002","8.3205","0.0001","18.148","0.0002","90","","95.024","0.001","90","","2254.65","0.05","123","0.1","123","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H28 P2 Se2 -","- C22 H28 P2 Se2 -","- C88 H112 P8 Se8 -","4","0.5","","Uttendorfer, Maria K.; Schneider, Lisa M.; Diener, Lukas S.; Hierlmeier, Gabriele; Balázs, Gábor; Wolf, Robert","A radical path to 1,2-diphosphacyclobutenes.","Chemical communications (Cambridge, England)","2025","61","89","17464","17467","10.1039/d5cc05221a","","x-ray","1.54184","CuKα","","0.0321","0.0319","","","0.0858","0.086","","","","","","1.091","","","","has coordinates","303542","2025-11-29","17:44:53",""
"7135060","8.4441","0.0003","16.7468","0.0007","17.4329","0.0005","90","","90","","90","","2465.22","0.15","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H36 Cl6 Mn N4 -","- C14 H36 Cl6 Mn N4 -","- C56 H144 Cl24 Mn4 N16 -","4","1","","Li, Xintong; Liu, Junhui; Xiang, Junwei; Lv, Qingsong; Wang, Juan; Guo, Fengwan","New strategy for dimensional control of manganese-based metal halides: feed composition control.","Chemical communications (Cambridge, England)","2025","61","92","18184","18187","10.1039/d5cc05128b","","x-ray","0.71073","MoKα","","0.0393","0.0326","","","0.0672","0.0711","","","","","","1.028","","","","has coordinates","303563","2025-11-29","17:51:34",""
"7135061","8.6152","0.0003","17.2628","0.0005","18.0558","0.0006","90","","90","","90","","2685.3","0.15","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H36 Br6 Mn N4 -","- C14 H36 Br6 Mn N4 -","- C56 H144 Br24 Mn4 N16 -","4","1","","Li, Xintong; Liu, Junhui; Xiang, Junwei; Lv, Qingsong; Wang, Juan; Guo, Fengwan","New strategy for dimensional control of manganese-based metal halides: feed composition control.","Chemical communications (Cambridge, England)","2025","61","92","18184","18187","10.1039/d5cc05128b","","x-ray","0.71073","MoKα","","0.0364","0.0302","","","0.0635","0.0658","","","","","","1.01","","","","has coordinates","303563","2025-11-29","17:51:34",""
"7135062","9.5893","0.0004","8.8686","0.0004","16.9149","0.0007","90","","90.355","0.002","90","","1438.48","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H36 Cl10 Mn3 N4 -","- C14 H36 Cl10 Mn3 N4 -","- C28 H72 Cl20 Mn6 N8 -","2","0.5","","Li, Xintong; Liu, Junhui; Xiang, Junwei; Lv, Qingsong; Wang, Juan; Guo, Fengwan","New strategy for dimensional control of manganese-based metal halides: feed composition control.","Chemical communications (Cambridge, England)","2025","61","92","18184","18187","10.1039/d5cc05128b","","x-ray","0.71073","MoKα","","0.0353","0.0287","","","0.0639","0.0678","","","","","","1.048","","","","has coordinates","303563","2025-11-29","17:51:34",""
"7135063","8.9096","0.0012","18.141","0.003","18.976","0.003","90","","90","","90","","3067.1","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H36 I6 Mn N4 -","- C14 H36 I6 Mn N4 -","- C56 H144 I24 Mn4 N16 -","4","1","","Li, Xintong; Liu, Junhui; Xiang, Junwei; Lv, Qingsong; Wang, Juan; Guo, Fengwan","New strategy for dimensional control of manganese-based metal halides: feed composition control.","Chemical communications (Cambridge, England)","2025","61","92","18184","18187","10.1039/d5cc05128b","","x-ray","0.71073","MoKα","","0.0396","0.0313","","","0.0609","0.0636","","","","","","0.998","","","","has coordinates","303563","2025-11-29","17:51:34",""
"7135064","13.047","0.003","13.52","0.003","21.777","0.005","79.204","0.009","73.104","0.008","77.349","0.009","3554.7","1.4","103","","103","","","","","","","","","5","P -1","-P 1","2","","","","- C88.5 H47 Cu N12 O -","- C88 H44 Cu N12 -","- C176 H88 Cu2 N24 -","2","1","","Jangra, Reena; Bulbul, Amir Sohel; Sankar, Muniappan","π-Extended Cis- and Trans-Bis(Tetracyanobutadiene) Cu-Porphyrins with Unusual Multiredox Behavior","Chemical Communications","2025","","","","","10.1039/D5CC04942C","","","0.71073","MoKα","","0.2848","0.1017","","","0.2297","0.3194","","","","","","0.959","","","","has coordinates","302851","2025-10-15","22:10:02",""
"7135065","13.329","0.006","15.694","0.007","21.415","0.009","78.765","0.013","75.079","0.014","68.029","0.013","3990","3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C88 H44 Cu N12 -","- C88 H44 Cu N12 -","- C176 H88 Cu2 N24 -","2","1","","Jangra, Reena; Bulbul, Amir Sohel; Sankar, Muniappan","π-Extended Cis- and Trans-Bis(Tetracyanobutadiene) Cu-Porphyrins with Unusual Multiredox Behavior","Chemical Communications","2025","","","","","10.1039/D5CC04942C","","","0.71073","MoKα","","0.1849","0.0856","","","0.2008","0.2485","","","","","","0.982","","","","has coordinates","302851","2025-10-15","22:10:03",""
"7135066","45.525","0.005","7.0641","0.0007","6.6022","0.0007","90","","94.133","0.004","90","","2117.7","0.4","144","","144","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H31 N O2 -","- C25 H31 N O2 -","- C100 H124 N4 O8 -","4","1","","Xiao, Yao; Pan, Xue-Lan; Cao, Xiang-Jian; Qi, Xin; Qiu, Sheng-Qi; Yu, Zhen-Qiang","A room temperature nematic luminescent liquid crystal: a FRET donor for amplified circularly polarized luminescence.","Chemical communications (Cambridge, England)","2025","61","91","17922","17925","10.1039/d5cc04827c","","x-ray","0.71073","MoKα","","0.0932","0.0642","","","0.1498","0.168","","","","","","1.051","","","","has coordinates","303570","2025-11-29","17:53:23",""
"7135067","11.4876","0.0002","12.9087","0.0002","17.8682","0.0003","90","","106.868","0.002","90","","2535.67","0.08","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 N3 O4 -","- C29 H29 N3 O4 -","- C116 H116 N12 O16 -","4","1","","Roper, Natalie J.; Hardy, George M.; Wootton, Jack M.; Waddell, Paul G.; Wilson, James; Armstrong, Roly J.","A multicomponent approach for the stereoselective synthesis of atropisomeric N-N peptide analogues.","Chemical communications (Cambridge, England)","2025","61","89","17388","17391","10.1039/d5cc05091j","","x-ray","1.54184","CuKα","","0.0471","0.039","","","0.1019","0.1088","","","","","","1.033","","","","has coordinates","303540","2025-11-29","17:44:18",""
"7135068","11.9144","0.0001","11.0129","0.0001","20.0815","0.0002","90","","97.27","0.001","90","","2613.75","0.04","150","0.2","150","0.2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C29 H29 N3 O4 -","- C29 H29 N3 O4 -","- C116 H116 N12 O16 -","4","1","","Roper, Natalie J.; Hardy, George M.; Wootton, Jack M.; Waddell, Paul G.; Wilson, James; Armstrong, Roly J.","A multicomponent approach for the stereoselective synthesis of atropisomeric N-N peptide analogues.","Chemical communications (Cambridge, England)","2025","61","89","17388","17391","10.1039/d5cc05091j","","x-ray","1.54184","CuKα","","0.04","0.034","","","0.0856","0.09","","","","","","1.032","","","","has coordinates","303540","2025-11-29","17:44:19",""
"7135069","13.7898","0.0012","12.1567","0.001","17.2696","0.0015","90","","103.019","0.004","90","","2820.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MOXI-214","","","- C20 H25.69 Mn2 N8 O8.85 -","- C20 H25.694 Mn2 N8 O8.847 -","- C80 H102.776 Mn8 N32 O35.388 -","4","1","","Howlett, Thomas; Wang, Ziqi; Tang, Wendy; Arora, Nyati; Shende, Prapti M.; Liu, Phillip; Kumari, Sneha; Joy, Monu; Wriedt, Mario; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","From Spontaneous Ligand Evolution to High-Throughput Water-Based Synthesis: Scalable Access to CO2 Selective Mixed-Ligand Metal Organic Frameworks","Chemical Communications","2025","","","","","10.1039/D5CC03218K","","","0.71073","MoKα","","0.1269","0.0937","","","0.1992","0.2179","","","","","","1.141","","","","has coordinates,has disorder","302854","2025-10-15","22:11:20",""
"7135070","14.6954","0.0004","34.3474","0.0011","25.064","0.0008","90","","105.154","0.002","90","","12211.1","0.7","200","","200","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C68 H137.5 Al I Mo6 N Na3 O94.25 -","- C68 H69.5 Al I Mo6 N Na3 O60.25 -","- C272 H278 Al4 I4 Mo24 N4 Na12 O241 -","4","2","","Liu, Chun-Yan; Mu, Yun-Jing; Chen, Wu-Ji; Liu, Cheng-Shuai; Lin, Chang-Gen; Song, Yu-Fei","Size-matched supramolecular assembly between an asymmetric Anderson-type polyoxometalate hybrid and α-/γ-cyclodextrins.","Chemical communications (Cambridge, England)","2025","61","91","17886","17889","10.1039/d5cc04781a","","","1.34139","GaKα","","0.0762","0.0616","","","0.1777","0.1898","","","","","","1.102","","","","has coordinates,has disorder","303567","2025-11-29","17:52:51",""
"7135071","28.963","0.005","17.363","0.003","37.324","0.007","90","","109.111","0.006","90","","17735","5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C208 H400 Al2 I2 Mo12 N2 O223 -","- C208 H298 Al2 I2 Mo12 N2 O172 -","- C416 H596 Al4 I4 Mo24 N4 O344 -","2","0.5","","Liu, Chun-Yan; Mu, Yun-Jing; Chen, Wu-Ji; Liu, Cheng-Shuai; Lin, Chang-Gen; Song, Yu-Fei","Size-matched supramolecular assembly between an asymmetric Anderson-type polyoxometalate hybrid and α-/γ-cyclodextrins.","Chemical communications (Cambridge, England)","2025","61","91","17886","17889","10.1039/d5cc04781a","","","1.34139","GaKα","","0.2552","0.2107","","","0.4097","0.4308","","","","","","1.064","","","","has coordinates,has disorder","303567","2025-11-29","17:52:51",""
"7135072","16.2667","0.0005","16.4045","0.0005","18.0519","0.0005","90","","90","","90","","4817.1","0.2","273.15","","273.15","","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C30 H28 -","- C30 H28 -","- C240 H224 -","8","1","","Gao, Feng; Xu, Yanning; Ding, Zeyang; Liu, Hanwen; Wang, Haoran; Alam, Parvej; Qiu, Zijie; Tang, Ben Zhong","Through-space conjugation engineering in methylated tetraphenylethene derivatives.","Chemical communications (Cambridge, England)","2025","61","92","18100","18103","10.1039/d5cc04641f","","","1.54178","CuKα","","0.1042","0.063","","","0.1663","0.1983","","","","","","0.991","","","","has coordinates,has disorder","303564","2025-11-29","17:51:51",""
"7135073","13.061","0.002","6.7745","0.0012","13.079","0.002","90","","91.233","0.01","90","","1157","0.3","273.15","","273.15","","","","","","","","","2","P 1 2/n 1","-P 2yac","13","","","","- C30 H28 -","- C30 H28 -","- C60 H56 -","2","0.5","","Gao, Feng; Xu, Yanning; Ding, Zeyang; Liu, Hanwen; Wang, Haoran; Alam, Parvej; Qiu, Zijie; Tang, Ben Zhong","Through-space conjugation engineering in methylated tetraphenylethene derivatives.","Chemical communications (Cambridge, England)","2025","61","92","18100","18103","10.1039/d5cc04641f","","","1.54178","CuKα","","0.2941","0.2453","","","0.4427","0.4583","","","","","","1.028","","","","has coordinates","303564","2025-11-29","17:51:51",""
"7135074","21.3224","0.0018","5.817","0.0006","19.767","0.002","90","","109.562","0.004","90","","2310.2","0.4","273","2","273.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 -","- C30 H28 -","- C120 H112 -","4","1","","Gao, Feng; Xu, Yanning; Ding, Zeyang; Liu, Hanwen; Wang, Haoran; Alam, Parvej; Qiu, Zijie; Tang, Ben Zhong","Through-space conjugation engineering in methylated tetraphenylethene derivatives.","Chemical communications (Cambridge, England)","2025","61","92","18100","18103","10.1039/d5cc04641f","","","1.54178","CuKα","","0.0853","0.0728","","","0.2344","0.256","","","","","","1.136","","","","has coordinates","303564","2025-11-29","17:51:51",""
"7135075","5.9506","0.0004","11.9443","0.0008","13.0049","0.0008","83.657","0.005","78.757","0.005","84.862","0.005","898.85","0.1","293.4","0.2","293.4","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H38 N2 O9 -","- C38 H30 N2 O8 -","- C38 H30 N2 O8 -","1","0.5","","Hu, Longhao; Lin, Chaohui; Zeng, Dailin; Qin, Xianjiao; Lai, Xiao-Li; Gong, Lingshan; Ye, Yingxiang; AlShahrani, Thamraa; Ma, Shengqian","Solvent-induced conformational changes in color-tunable hydrogen-bonded organic frameworks.","Chemical communications (Cambridge, England)","2025","61","91","17882","17885","10.1039/d5cc03791c","","x-ray","1.54184","CuKα","","0.0752","0.0626","","","0.1722","0.1911","","","","","","1.035","","","","has coordinates","303569","2025-11-29","17:53:13",""
"7135076","4.7799","0.0006","11.7694","0.0014","14.1229","0.001","94.792","0.008","91.588","0.007","93.494","0.01","789.83","0.15","291.02","0.15","291.02","0.15","","","","","","","","4","P -1","-P 1","2","","","","- C38 H30 N2 O8 -","- C38 H30 N2 O8 -","- C38 H30 N2 O8 -","1","0.5","","Hu, Longhao; Lin, Chaohui; Zeng, Dailin; Qin, Xianjiao; Lai, Xiao-Li; Gong, Lingshan; Ye, Yingxiang; AlShahrani, Thamraa; Ma, Shengqian","Solvent-induced conformational changes in color-tunable hydrogen-bonded organic frameworks.","Chemical communications (Cambridge, England)","2025","61","91","17882","17885","10.1039/d5cc03791c","","x-ray","1.54184","CuKα","","0.0964","0.0638","","","0.1606","0.1935","","","","","","0.99","","","","has coordinates","303569","2025-11-29","17:53:13",""
"7135077","12.122","0.007","5.585","0.002","14.566","0.006","90","","107.22","0.05","90","","941.9","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","BPTA","9,10-bis(phenylthio)anthracene","","- C13 H9 S -","- C13 H9 S -","- C52 H36 S4 -","4","1","","Nag, Bedabara; Kumar, Akshai","Key role of oxygen and base in catalytic thioetherification: access to sulfur bridged poly-aromatic hydrocarbons.","Chemical communications (Cambridge, England)","2025","61","92","18120","18123","10.1039/d5cc04903b","","","0.71073","MoKα","","0.1084","0.0701","","","0.1824","0.2221","","","","","","1.016","","","","has coordinates","303566","2025-11-29","17:52:18",""
"7135078","13.016","0.0013","4.9514","0.0005","17.4745","0.0017","90","","102.038","0.003","90","","1101.42","0.19","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BPFPTA","9,10-bis((perfluorophenyl)thio)anthracene","","- C26 H8 F10 S2 -","- C26 H8 F10 S2 -","- C52 H16 F20 S4 -","2","0.5","","Nag, Bedabara; Kumar, Akshai","Key role of oxygen and base in catalytic thioetherification: access to sulfur bridged poly-aromatic hydrocarbons.","Chemical communications (Cambridge, England)","2025","61","92","18120","18123","10.1039/d5cc04903b","","","0.71073","MoKα","","0.0779","0.0497","","","0.082","0.0962","","","","","","1.186","","","","has coordinates","303566","2025-11-29","17:52:19",""
"7135079","8.9039","0.0005","5.6737","0.0003","22.1636","0.0013","90","","101.035","0.002","90","","1098.96","0.11","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(2,6-dibromoantracence- 9,10-diyl)bis-(phenylsulfane)","(2,6-dibromoantracence- 9,10-diyl)bis-(phenylsulfane)","","- C26 H16 Br2 S2 -","- C26 H16 Br2 S2 -","- C52 H32 Br4 S4 -","2","0.5","","Nag, Bedabara; Kumar, Akshai","Key role of oxygen and base in catalytic thioetherification: access to sulfur bridged poly-aromatic hydrocarbons.","Chemical communications (Cambridge, England)","2025","61","92","18120","18123","10.1039/d5cc04903b","","","0.71073","MoKα","","0.0617","0.039","","","0.0853","0.1048","","","","","","1.12","","","","has coordinates","303566","2025-11-29","17:52:19",""
"7135080","9.9897","0.0004","11.2443","0.0004","12.144","0.0004","108.063","0.003","102.688","0.003","90.502","0.003","1260.85","0.08","293","2","293","","","","","","","","","4","P -1","-P 1","2","","1","","- C28 H24 N2 O6 -","- C28 H24 N2 O6 -","- C56 H48 N4 O12 -","2","1","","Tang, Shou-Yang; Sang, Qian-Qian; Chen, Ze-Le; Cai, Bao-Gui; Xuan, Jun","Visible-light-promoted synthesis of imidazo[1,5-<i>a</i>]indole-3-ones <i>via</i> cascade carbene N-H insertion and oxidative cyclization.","Chemical communications (Cambridge, England)","2025","61","91","17870","17873","10.1039/d5cc05725f","","x-ray","1.54184","CuKα","","0.0869","0.0771","","","0.2214","0.2364","","","","","","1.103","","","","has coordinates,has disorder","303568","2025-11-29","17:53:02",""
"7135081","21.4354","0.0002","9.9487","0.0001","15.1153","0.0002","90","","104.054","0.001","90","","3126.92","0.06","281","9","281","9","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DNP adduct","","- C2.21 H2.34 N0.28 O0.62 -","- C2.2069 H2.34483 N0.275862 O0.62069 -","- C128 H136 N16 O36 -","58","14.5","","Biswas, Sourabh; Srinivasu, Vinjamuri; Mallick, Manasi; Chandu, Palasetty; Sureshkumar, Devarajulu","Photoredox-driven tandem ring-opening and vinylation: a route to distal alkenyl ketones from cyclopropenes.","Chemical communications (Cambridge, England)","2025","61","93","18388","18391","10.1039/d5cc04546k","","x-ray","1.54184","CuKα","","0.066","0.058","","","0.1805","0.1901","","","","","","1.092","","","","has coordinates","303533","2025-11-29","17:41:57",""
"7135082","9.1458","0.0004","9.3792","0.0003","10.2964","0.0004","86.62","0.001","77.558","0.002","63.535","0.001","771.41","0.05","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 F3 O6 -","- C16 H11 F3 O6 -","- C32 H22 F6 O12 -","2","1","","Ni, Tongtong; Xu, Xuefeng; Li, Wenguang; Li, Shiyuan; Sheng, Heyun; Zhang, Xu","Nickel-catalyzed [4+2] cycloadditions of β-ketoesters and alkynes.","Chemical communications (Cambridge, England)","2025","61","90","17645","17648","10.1039/d5cc04128g","","","0.71073","MoKα","","0.0825","0.0768","","","0.2163","0.2228","","","","","","1.087","","","","has coordinates","303546","2025-11-29","17:45:45",""
"7135083","8.541","0.0004","12.2915","0.0005","17.0269","0.0006","90","","90","","90","","1787.51","0.13","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(2-(tert-butyl)phenyl)-3a,4,5,9b-tetrahydro-1H-benzo[e]isoindole-1,3(2H)-dione","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Manna, Sabyasachi; Sreedhara, Rahul Halanuru; Punesh, Thanay Umesh; Prabhu, Kandikere Ramaiah","Use of tailored boronic acids both as a radical donor and acceptor in a visible light-mediated di-functionalization of maleimides: rapid access to fused benzo[<i>e</i>]isoindole-1,3-diones.","Chemical communications (Cambridge, England)","2025","61","90","17669","17672","10.1039/d5cc04449a","","","0.71073","MoKα","","0.0515","0.05","","","0.1307","0.1318","","","","","","1.161","","","","has coordinates","303548","2025-11-29","17:46:05",""
"7135084","9.0726","0.0004","6.8264","0.0003","15.7029","0.0007","90","","90.066","0.002","90","","972.53","0.07","299","2","299","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 Cl6 Mo N2 Na -","- C8 H24 Cl6 Mo N2 Na -","- C16 H48 Cl12 Mo2 N4 Na2 -","2","0.5","","Binwal, Devesh Chandra; Vishnoi, Pratap","One-dimensional magnetic halide double perovskites [N(CH<sub>3</sub>)<sub>4</sub>]<sub>2</sub>M<sup>I</sup>MoCl<sub>6</sub> (M<sup>I</sup> = Na, Ag) with large A-site cations.","Chemical communications (Cambridge, England)","2025","61","93","18352","18355","10.1039/d5cc04751j","","","0.71073","MoKα","","0.0499","0.0344","","","0.0826","0.0916","","","","","","1.088","","","","has coordinates,has disorder","303531","2025-11-29","17:41:28",""
"7135085","9.054","0.0008","9.054","0.0008","6.7638","0.001","90","","90","","120","","480.18","0.09","300","2","300","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C8 H24 Ag Cl6 Mo N2 -","- C7.9992 H23.9976 Ag Cl6 Mo N2 -","- C7.9992 H23.9976 Ag Cl6 Mo N2 -","1","0.0416667","","Binwal, Devesh Chandra; Vishnoi, Pratap","One-dimensional magnetic halide double perovskites [N(CH<sub>3</sub>)<sub>4</sub>]<sub>2</sub>M<sup>I</sup>MoCl<sub>6</sub> (M<sup>I</sup> = Na, Ag) with large A-site cations.","Chemical communications (Cambridge, England)","2025","61","93","18352","18355","10.1039/d5cc04751j","","x-ray","0.71073","MoKα","","0.0587","0.0508","","","0.1019","0.1067","","","","","","1.178","","","","has coordinates,has disorder","303531","2025-11-29","17:41:28",""
"7135086","18.115","0.0019","19.364","0.002","25.348","0.003","90","","106.419","0.003","90","","8528.9","1.6","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H133 Fe K N7 O11 Si4 -","- C59 H105 Fe K N7 O8 Si4 -","- C236 H420 Fe4 K4 N28 O32 Si16 -","4","1","","Gonzalez, Andres; Casnati, Alessandra; Willingshofer, Moritz; Radovic, Aleksa; Cutsail, 3rd, George E; Demeshko, Serhiy; Meyer, Franc; Werncke, C. Gunnar","The flexible behaviour of a trigonal arylimido iron complex.","Chemical communications (Cambridge, England)","2025","61","93","18440","18443","10.1039/d5cc05205j","","","0.71073","MoKα","","0.1159","0.0759","","","0.2083","0.2198","","","","","","1.09","","","","has coordinates","303534","2025-11-29","17:42:33",""
"7135087","12.6097","0.0005","13.1708","0.0006","17.6115","0.0007","110.391","0.001","93.952","0.001","93.322","0.001","2724.6","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H83 Fe K N5 O6 Si4 -","- C39 H83 Fe K N5 O6 Si4 -","- C78 H166 Fe2 K2 N10 O12 Si8 -","2","1","","Gonzalez, Andres; Casnati, Alessandra; Willingshofer, Moritz; Radovic, Aleksa; Cutsail, 3rd, George E; Demeshko, Serhiy; Meyer, Franc; Werncke, C. Gunnar","The flexible behaviour of a trigonal arylimido iron complex.","Chemical communications (Cambridge, England)","2025","61","93","18440","18443","10.1039/d5cc05205j","","","0.71073","MoKα","","0.033","0.0294","","","0.0766","0.0786","","","","","","1.033","","","","has coordinates","303534","2025-11-29","17:42:34",""
"7135088","12.6019","0.0005","13.1359","0.0004","17.7179","0.0007","110.508","0.001","93.368","0.001","93.329","0.001","2732.63","0.18","111","","111","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H96 Fe K N5 O6 Si4 -","- C39 H84 Fe K N5 O6 Si4 -","- C78 H168 Fe2 K2 N10 O12 Si8 -","2","1","","Gonzalez, Andres; Casnati, Alessandra; Willingshofer, Moritz; Radovic, Aleksa; Cutsail, 3rd, George E; Demeshko, Serhiy; Meyer, Franc; Werncke, C. Gunnar","The flexible behaviour of a trigonal arylimido iron complex.","Chemical communications (Cambridge, England)","2025","61","93","18440","18443","10.1039/d5cc05205j","","","0.71073","MoKα","","0.0376","0.0324","","","0.0783","0.0822","","","","","","1.015","","","","has coordinates,has disorder","303534","2025-11-29","17:42:34",""
"7135089","11.8028","0.0005","15.389","0.0006","29.1949","0.0012","103.183","0.001","92.864","0.001","99.764","0.001","5066.5","0.4","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C72 H152 F4 Fe2 K2 N8 O12 S4 Si8 -","- C69 H150 F3 Fe2 K2 N8 O12 S4 Si8 -","- C138 H300 F6 Fe4 K4 N16 O24 S8 Si16 -","2","1","","Gonzalez, Andres; Casnati, Alessandra; Willingshofer, Moritz; Radovic, Aleksa; Cutsail, 3rd, George E; Demeshko, Serhiy; Meyer, Franc; Werncke, C. Gunnar","The flexible behaviour of a trigonal arylimido iron complex.","Chemical communications (Cambridge, England)","2025","61","93","18440","18443","10.1039/d5cc05205j","","","0.71073","MoKα","","0.0595","0.0498","","","0.1088","0.1128","","","","","","1.123","","","","has coordinates,has disorder","303534","2025-11-29","17:42:34",""
"7135090","23.24","0.002","30.2","0.003","7.495","0.0006","90","","97.687","0.003","90","","5213.1","0.8","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Copper(I)Phen","","- C28.6 H22.9 Cl Cu N6.3 -","- C24 H16 Cl Cu N4 -","- C192 H128 Cl8 Cu8 N32 -","8","1","","David, A. John; Seethapathy, Logeshwari; Kumar, S. Vijay; Das, Rajorshi; Das, Anjan","Photocatalytic carboxylation of aryl halides/alkenes with a copper(I) complex bypassing the demand for dual catalysts.","Chemical communications (Cambridge, England)","2025","61","90","17677","17680","10.1039/d5cc04943a","","x-ray","0.71073","MoKα","","0.0809","0.0589","","","0.1339","0.1426","","","","","","1.068","","","","has coordinates","303551","2025-11-29","17:47:45",""
"7135091","8.8248","0.0002","13.1914","0.0003","11.6734","0.0003","90","","102.126","0.002","90","","1328.6","0.06","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","1","","Liu, Xiang; Wu, Wen-Rong; Ma, Shaohong; Chen, Juan; Meng, Yuan-Jie; Yang, Zi-Feng; Zhang, Shang-Shi; Feng, Pengju","Base-promoted [3+2] annulation of <i>N</i>-aminoisoquinolinium derivatives with cyclic iodonium ylide/2,2-difluorovinyl tosylate.","Chemical communications (Cambridge, England)","2025","61","90","17673","17676","10.1039/d5cc05132k","","x-ray","1.54184","CuKα","","0.0506","0.0474","","","0.1255","0.1296","","","","","","1.058","","","","has coordinates","303547","2025-11-29","17:45:54",""
"7135092","7.8135","0.0002","27.8711","0.0006","13.276","0.0003","90","","90.854","0.002","90","","2890.8","0.12","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 S -","- C16 H17 N3 S -","- C128 H136 N24 S8 -","8","2","","Murali, Anna Chandrasekar; Raj, Ankit; Veerapathiran, Sabari; Senanayak, Satyaprasad P.; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","Highly emissive boron-α-thioimidinates: substituent control of photophysics and charge transport properties.","Chemical communications (Cambridge, England)","2025","61","93","18396","18399","10.1039/d5cc05332c","","x-ray","0.71073","MoKα","","0.0533","0.0437","","","0.1099","0.1147","","","","","","1.076","","","","has coordinates","303530","2025-11-29","17:41:11",""
"7135093","12.0186","0.0002","12.5059","0.0002","13.7414","0.0002","95.301","0.001","106.618","0.002","113.936","0.002","1756.94","0.06","100.06","0.1","100.06","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C39 H22 B Cl2 F10 N3 S -","- C38 H20 B F10 N3 S -","- C76 H40 B2 F20 N6 S2 -","2","1","","Murali, Anna Chandrasekar; Raj, Ankit; Veerapathiran, Sabari; Senanayak, Satyaprasad P.; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","Highly emissive boron-α-thioimidinates: substituent control of photophysics and charge transport properties.","Chemical communications (Cambridge, England)","2025","61","93","18396","18399","10.1039/d5cc05332c","","x-ray","0.71073","MoKα","","0.0677","0.0586","","","0.1358","0.1394","","","","","","1.104","","","","has coordinates","303530","2025-11-29","17:41:12",""
"7135094","9.6678","0.0003","10.2025","0.0003","13.9028","0.0004","104.522","0.003","95.869","0.002","111.606","0.003","1205.04","0.07","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C27 H13 B F10 N2 O S -","- C27 H13 B F10 N2 O S -","- C54 H26 B2 F20 N4 O2 S2 -","2","1","","Murali, Anna Chandrasekar; Raj, Ankit; Veerapathiran, Sabari; Senanayak, Satyaprasad P.; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","Highly emissive boron-α-thioimidinates: substituent control of photophysics and charge transport properties.","Chemical communications (Cambridge, England)","2025","61","93","18396","18399","10.1039/d5cc05332c","","x-ray","0.71073","MoKα","","0.0426","0.0374","","","0.1285","0.1337","","","","","","1.042","","","","has coordinates","303530","2025-11-29","17:41:12",""
"7135095","9.8457","0.0003","10.564","0.0004","13.7846","0.0004","105.553","0.003","90.551","0.002","113.918","0.003","1251.18","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 B F10 N3 S -","- C28 H16 B F10 N3 S -","- C56 H32 B2 F20 N6 S2 -","2","1","","Murali, Anna Chandrasekar; Raj, Ankit; Veerapathiran, Sabari; Senanayak, Satyaprasad P.; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","Highly emissive boron-α-thioimidinates: substituent control of photophysics and charge transport properties.","Chemical communications (Cambridge, England)","2025","61","93","18396","18399","10.1039/d5cc05332c","","x-ray","0.71073","MoKα","","0.039","0.0337","","","0.0884","0.0913","","","","","","1.066","","","","has coordinates","303530","2025-11-29","17:41:12",""
"7135096","8.9992","0.0002","10.1647","0.0003","11.3907","0.0003","99.1849","0.0011","91.1844","0.001","112.8","0.0009","944.31","0.04","100.03","","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 F6 O P Si -","- C17 H19 F6 O P Si -","- C34 H38 F12 O2 P2 Si2 -","2","1","","Kopp, Richard O.; Rigo, Massimo; Groth, Lucie J.; Coles, Nathan T.; Neale, Samuel E.; Frank, Samantha; Ernst, Moritz J.; Weber, Manuela; Müller, Christian","Dynamic activation of alcohols by an electrophilic phosphinine.","Chemical communications (Cambridge, England)","2025","61","94","18625","18628","10.1039/d5cc05302a","","","0.71073","MoKα","","0.0578","0.0391","","","0.0797","0.086","","","","","","1.024","","","","has coordinates","303556","2025-11-29","17:49:31",""
"7135097","10.0771","0.0006","10.5675","0.0006","11.3486","0.0006","92.695","0.002","109.345","0.002","114.43","0.002","1014.09","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H21 F6 O P Si -","- C18 H21 F6 O P Si -","- C36 H42 F12 O2 P2 Si2 -","2","1","","Kopp, Richard O.; Rigo, Massimo; Groth, Lucie J.; Coles, Nathan T.; Neale, Samuel E.; Frank, Samantha; Ernst, Moritz J.; Weber, Manuela; Müller, Christian","Dynamic activation of alcohols by an electrophilic phosphinine.","Chemical communications (Cambridge, England)","2025","61","94","18625","18628","10.1039/d5cc05302a","","","0.71073","MoKα","","0.0339","0.0324","","","0.0857","0.0876","","","","","","1.077","","","","has coordinates","303556","2025-11-29","17:49:32",""
"7135098","7.4937","0.0008","13.8967","0.0018","27.206","0.003","100.646","0.007","91.838","0.006","91.599","0.006","2781.3","0.6","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H88 Cl4 Cu4 Si4 -","- C44 H88 Cl4 Cu4 Si4 -","- C88 H176 Cl8 Cu8 Si8 -","2","1","","Gupta, Arvind Kumar; Fayet, Océane Y O; Tian, Lei; Berger, Raphael J. F.; Lomoth, Reiner; Orthaber, Andreas","Base-mediated alkynyl-cubane to Cu<sub>8</sub>-alkynide cluster transformation.","Chemical communications (Cambridge, England)","2025","61","94","18673","18676","10.1039/d5cc00783f","","x-ray","0.71073","MoKα","","0.0939","0.0689","","","0.164","0.175","","","","","","1.086","","","","has coordinates,has disorder","303553","2025-11-29","17:48:30",""
"7135099","14.9963","0.0011","22.5357","0.0016","30.877","0.002","90","","90","","90","","10434.9","1.3","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C88 H168 Cu8 Si8 -","- C88 H168 Cu8 Si8 -","- C352 H672 Cu32 Si32 -","4","1","","Gupta, Arvind Kumar; Fayet, Océane Y O; Tian, Lei; Berger, Raphael J. F.; Lomoth, Reiner; Orthaber, Andreas","Base-mediated alkynyl-cubane to Cu<sub>8</sub>-alkynide cluster transformation.","Chemical communications (Cambridge, England)","2025","61","94","18673","18676","10.1039/d5cc00783f","","x-ray","0.71073","MoKα","","0.1135","0.0804","","","0.2178","0.2516","","","","","","1.046","","","","has coordinates,has disorder","303553","2025-11-29","17:48:31",""
"7135100","29.3094","0.0012","14.7807","0.0007","6.9665","0.0003","90","","98.9151","0.0015","90","","2981.5","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H20 F4 N2 S -","- C34 H20 F4 N2 S -","- C136 H80 F16 N8 S4 -","4","0.5","","Gnanasekaran, Premkumar; Chen, Chia-Yu; Chu, Ting-Hung; Lin, Po-Heng; Chang, Yuan Jay","Eco-friendly synthesis of highly emissive benzothiadiazole-based fluorophores <i>via</i> a solvent-free hand-grinding Horner-Wadsworth-Emmons reaction in ≤1 minute.","Chemical communications (Cambridge, England)","2025","61","92","18148","18151","10.1039/d5cc04892c","","x-ray","0.71073","MoKα","","0.0595","0.051","","","0.1532","0.1643","","","","","","1","","","","has coordinates","303565","2025-11-29","17:52:05",""
"7135101","9.5987","0.0005","15.087","0.0009","11.7651","0.0007","90","","101.039","0.002","90","","1672.25","0.17","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 S -","- C22 H16 N2 S -","- C88 H64 N8 S4 -","4","1","","Gnanasekaran, Premkumar; Chen, Chia-Yu; Chu, Ting-Hung; Lin, Po-Heng; Chang, Yuan Jay","Eco-friendly synthesis of highly emissive benzothiadiazole-based fluorophores <i>via</i> a solvent-free hand-grinding Horner-Wadsworth-Emmons reaction in ≤1 minute.","Chemical communications (Cambridge, England)","2025","61","92","18148","18151","10.1039/d5cc04892c","","","0.71076","MoKα","","0.1206","0.0878","","","0.2208","0.2716","","","","","","1.041","","","","has coordinates","303565","2025-11-29","17:52:06",""
"7135102","12.1127","0.0003","9.1231","0.0002","11.7692","0.0003","90","","113.578","0.001","90","","1191.98","0.05","302","","302","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 B F2 N2 S -","- C13 H9 B F2 N2 S -","- C52 H36 B4 F8 N8 S4 -","4","1","","Tian, Liang; Cao, Yiman; Chen, Can; Ni, Zhigang; Fan, Cong; Mack, John; Dai, Peidi; Lu, Hua; Gai, Lizhi","Small is different: <i>N</i>,<i>N</i>-chelated organoboron complexes with seven-membered rings.","Chemical communications (Cambridge, England)","2025","61","94","18641","18644","10.1039/d5cc05461c","","","1.54178","CuKα","","0.0398","0.0379","","","0.1021","0.1039","","","","","","1.068","","","","has coordinates","303557","2025-11-29","17:49:43",""
"7135103","6.9891","0.0005","13.5514","0.001","14.4026","0.0011","90","","95.392","0.003","90","","1358.06","0.17","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 B F2 N2 S -","- C15 H13 B F2 N2 S -","- C60 H52 B4 F8 N8 S4 -","4","1","","Tian, Liang; Cao, Yiman; Chen, Can; Ni, Zhigang; Fan, Cong; Mack, John; Dai, Peidi; Lu, Hua; Gai, Lizhi","Small is different: <i>N</i>,<i>N</i>-chelated organoboron complexes with seven-membered rings.","Chemical communications (Cambridge, England)","2025","61","94","18641","18644","10.1039/d5cc05461c","","","0.71073","MoKα","","0.0844","0.0479","","","0.1323","0.1548","","","","","","1.073","","","","has coordinates","303557","2025-11-29","17:49:44",""
"7135104","19.6339","0.001","19.6339","0.001","26.1675","0.0012","90","","90","","120","","8735.9","0.7","298","2","298","2","","","","","","","","5","P 31","P 31","144","","","","- C105 H102 Cl6 N18 Se3 -","- C102 H96 N18 Se3 -","- C306 H288 N54 Se9 -","3","1","","Liu, Chao; Du, Ziwei; Ding, Xu; Wang, Zhixuan; Cao, Lili; Zhou, Ziwen; Chen, Jia; Zhang, Ning","Precise heteroatom engineering for iodine capture promotion in porous organic cages.","Chemical communications (Cambridge, England)","2025","61","96","19076","19079","10.1039/d5cc04036a","","x-ray","0.71073","MoKα","","0.1996","0.0866","","","0.2189","0.2805","","","","","","0.987","","","","has coordinates,has disorder","304072","2025-12-06","19:57:07",""
"7135105","5.4585","0.0011","20.644","0.003","21.236","0.003","90","","93.871","0.011","90","","2387.5","0.7","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 N O2 Se -","- C27 H26 N O2 Se -","- C108 H104 N4 O8 Se4 -","4","2","","Reddy, Chada Raji; Vinaya, Puthiya Purayil; Ajaykumar, Uprety; Nagendraprasad, Thallamapuram","Electrophilic aryl migration of <i>N</i>-benzyl propiolamides to functionalized-acrylamides.","Chemical communications (Cambridge, England)","2025","61","94","18669","18672","10.1039/d5cc04709a","","","0.71073","MoKα","","0.0855","0.049","","","0.1115","0.1279","","","","","","1.015","","","","has coordinates,has disorder","303552","2025-11-29","17:48:12",""
"7135106","8.7369","0.0002","10.5221","0.0002","11.1567","0.0003","69.401","0.001","88.06","0.001","71.327","0.001","905.93","0.04","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H52 B2 F2 O10 S2 -","- C34 H52 B2 F2 O10 S2 -","- C34 H52 B2 F2 O10 S2 -","1","0.5","","Wang, Shuting; Tang, Shuai; Han, Xiao-Le; Zhang, Hua","Regioselective postmodification of aryl sulfonyl fluorides <i>via</i> iridium(I)-catalysed C-H borylation.","Chemical communications (Cambridge, England)","2025","61","95","18830","18833","10.1039/d5cc04073f","","x-ray","1.54184","CuKα","","0.0333","0.033","","","0.0826","0.0828","","","","","","1.045","","","","has coordinates","303579","2025-11-29","17:56:05",""
"7135107","8.38282","0.00006","13.97902","0.0001","14.3924","0.00008","115.939","0.0007","100.085","0.0006","95.7768","0.0006","1462.99","0.02","123","0.1","123","0.1","","","","","","","","7","P 1","P 1","1","","","","- C52 H52 Ag2 F6 N12 O8 S4 -","- C52 H52 Ag2 F6 N12 O8 S4 -","- C52 H52 Ag2 F6 N12 O8 S4 -","1","1","","Sawant, Diksha U.; Halat, Peter; McKay, Alasdair I.; Izgorodina, Ekaterina I.; Turner, David R.","Dependence of an anion template on amino acid binding in DMSO/H<sub>2</sub>O by a chiral Ag/urea-based tweezer.","Chemical communications (Cambridge, England)","2025","61","95","18846","18849","10.1039/d5cc05158d","","x-ray","1.54184","CuKα","","0.0522","0.0519","","","0.1396","0.1399","","","","","","1.085","","","","has coordinates,has disorder","303577","2025-11-29","17:55:24",""
"7135108","10.5633","0.0002","10.5879","0.0002","18.4454","0.0004","90","","90","","90","","2062.99","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Cl N2 O2 -","- C23 H25 Cl N2 O2 -","- C92 H100 Cl4 N8 O8 -","4","1","","Clark, Paul; Keenan, Thomas; Liu, Shiqi; Huang, Jingjun; Ma, Yao-Rui; Hasija, Avantika; Huang, Pei-Qiang; Jean, Alexandre; Leitch, David C.; Arseniyadis, Stellios","Palladium-catalysed asymmetric allylic alkylation of hydantoins using bench-stable chiral palladium precatalysts.","Chemical communications (Cambridge, England)","2025","61","96","19064","19067","10.1039/d5cc05328e","","x-ray","1.54184","CuKα","","0.0279","0.0269","","","0.0696","0.0702","","","","","","1.033","","","","has coordinates","304075","2025-12-06","19:57:43",""
"7135109","5.7891","0.0007","14.1638","0.0017","32.308","0.004","90","","94.605","0.005","90","","2640.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 N2 O3 S2 Se2 -","- C29 H20 N2 O3 S2 Se2 -","- C116 H80 N8 O12 S8 Se8 -","4","1","","Schmiedtchen, Marco; Thulaseedharan Nair Sailaja, Sidharth; Lorberg, Rick Y.; Wölper, Christoph; Galstyan, Anzhela; Voskuhl, Jens","Tuneable phosphorescence and singlet oxygen production of bridged ethers <i>via</i> chalcogen variation and photocyclisation.","Chemical communications (Cambridge, England)","2025","61","95","18810","18813","10.1039/d5cc05206h","","","1.54178","CuKα","","0.0691","0.061","","","0.1522","0.1594","","","","","","1.196","","","","has coordinates","303580","2025-11-29","17:56:42",""
"7135110","7.8604","0.0005","8.7632","0.0005","11.4837","0.0007","93.4629","0.0018","106.53","0.0016","112.541","0.0016","687.45","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H4 Cl2 N2 Se2 -","- C14 H4 Cl2 N2 Se2 -","- C28 H8 Cl4 N4 Se4 -","2","1","","Schmiedtchen, Marco; Thulaseedharan Nair Sailaja, Sidharth; Lorberg, Rick Y.; Wölper, Christoph; Galstyan, Anzhela; Voskuhl, Jens","Tuneable phosphorescence and singlet oxygen production of bridged ethers <i>via</i> chalcogen variation and photocyclisation.","Chemical communications (Cambridge, England)","2025","61","95","18810","18813","10.1039/d5cc05206h","","","1.54178","CuKα","","0.0187","0.0176","","","0.0462","0.0468","","","","","","1.065","","","","has coordinates","303580","2025-11-29","17:56:44",""
"7135111","5.9391","0.0013","23.454","0.005","23.02","0.005","90","","93.477","0.004","90","","3200.7","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 N2 O4 S2 -","- C36 H34 N2 O4 S2 -","- C144 H136 N8 O16 S8 -","4","1","","Schmiedtchen, Marco; Thulaseedharan Nair Sailaja, Sidharth; Lorberg, Rick Y.; Wölper, Christoph; Galstyan, Anzhela; Voskuhl, Jens","Tuneable phosphorescence and singlet oxygen production of bridged ethers <i>via</i> chalcogen variation and photocyclisation.","Chemical communications (Cambridge, England)","2025","61","95","18810","18813","10.1039/d5cc05206h","","","0.71073","MoKα","","0.053","0.0392","","","0.0999","0.1098","","","","","","1.039","","","","has coordinates,has disorder","303580","2025-11-29","17:56:44",""
"7135112","11.6031","0.0012","16.6534","0.0017","12.2098","0.0013","90","","96.077","0.003","90","","2346.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N2 O4 S2 -","- C28 H18 N2 O4 S2 -","- C112 H72 N8 O16 S8 -","4","1","","Schmiedtchen, Marco; Thulaseedharan Nair Sailaja, Sidharth; Lorberg, Rick Y.; Wölper, Christoph; Galstyan, Anzhela; Voskuhl, Jens","Tuneable phosphorescence and singlet oxygen production of bridged ethers <i>via</i> chalcogen variation and photocyclisation.","Chemical communications (Cambridge, England)","2025","61","95","18810","18813","10.1039/d5cc05206h","","","0.71073","MoKα","","0.0456","0.0351","","","0.0909","0.0989","","","","","","1.036","","","","has coordinates","303580","2025-11-29","17:56:44",""
"7135113","6.1558","0.0006","16.8897","0.0016","12.1311","0.0011","90","","103.961","0.003","90","","1224","0.2","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C28 H18 N2 O2 S4 -","- C28 H18 N2 O2 S4 -","- C56 H36 N4 O4 S8 -","2","1","","Schmiedtchen, Marco; Thulaseedharan Nair Sailaja, Sidharth; Lorberg, Rick Y.; Wölper, Christoph; Galstyan, Anzhela; Voskuhl, Jens","Tuneable phosphorescence and singlet oxygen production of bridged ethers <i>via</i> chalcogen variation and photocyclisation.","Chemical communications (Cambridge, England)","2025","61","95","18810","18813","10.1039/d5cc05206h","","","1.54178","CuKα","","0.0234","0.0231","","","0.0605","0.0607","","","","","","1.024","","","","has coordinates","303580","2025-11-29","17:56:44",""
"7135114","5.6312","0.0004","17.0766","0.0014","17.206","0.002","86.595","0.007","81.468","0.007","87.677","0.006","1632.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 N2 O2 S2 Se2 -","- C36 H34 N2 O2 S2 Se2 -","- C72 H68 N4 O4 S4 Se4 -","2","1","","Schmiedtchen, Marco; Thulaseedharan Nair Sailaja, Sidharth; Lorberg, Rick Y.; Wölper, Christoph; Galstyan, Anzhela; Voskuhl, Jens","Tuneable phosphorescence and singlet oxygen production of bridged ethers <i>via</i> chalcogen variation and photocyclisation.","Chemical communications (Cambridge, England)","2025","61","95","18810","18813","10.1039/d5cc05206h","","","1.54178","CuKα","","0.0391","0.0359","","","0.0957","0.0999","","","","","","1.055","","","","has coordinates,has disorder","303580","2025-11-29","17:56:44",""
"7135115","6.2952","0.0003","11.3991","0.0006","20.6848","0.0011","104.048","0.003","91.718","0.003","99.82","0.003","1414.88","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31.5 H26 N2 O2 S2 Se2 -","- C28 H18 N2 O2 S2 Se2 -","- C56 H36 N4 O4 S4 Se4 -","2","1","","Schmiedtchen, Marco; Thulaseedharan Nair Sailaja, Sidharth; Lorberg, Rick Y.; Wölper, Christoph; Galstyan, Anzhela; Voskuhl, Jens","Tuneable phosphorescence and singlet oxygen production of bridged ethers <i>via</i> chalcogen variation and photocyclisation.","Chemical communications (Cambridge, England)","2025","61","95","18810","18813","10.1039/d5cc05206h","","","0.71073","MoKα","","0.0512","0.034","","","0.0801","0.089","","","","","","1.037","","","","has coordinates,has disorder","303580","2025-11-29","17:56:44",""
"7135116","35.9609","0.0007","12.6981","0.0004","11.4122","0.0003","90","","91.584","0.002","90","","5209.2","0.2","170","0.3","170","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","TPT-FOH","","","- C32 H27 F O2 S -","- C32 H27 F O2 S -","- C256 H216 F8 O16 S8 -","8","1","","Yu, Tianxin; Shi, Tingchang; Zhang, Zhilei; Xu, Hai-Bing; He, Zikai; Jiang, Lang; Gu, Xinggui; Wang, Erjing","Boosting aggregation-induced emission of hydroxylated tetraphenylthiophene via biogenic amine entangling","Chemical Communications","2025","","","","","10.1039/D5CC04552E","","x-ray","1.54184","CuKα","","0.0735","0.056","","","0.1512","0.1658","","","","","","1.043","","","","has coordinates","303010","2025-10-28","08:08:53",""
"7135117","20.985","0.0003","10.746","0.0002","12.2193","0.0002","90","","102.749","0.0008","90","","2687.57","0.08","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 I O3 -","- C31 H29 I O3 -","- C124 H116 I4 O12 -","4","1","","Maurya, Sundaram; Patil, Vaibhav B.; Raghu Ramudu, G.; Amrutkar, Virendra S.; Mendapara, Yash G.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","CuH-catalyzed stereoselective desymmetrization of prochiral cyclopentane-1,3-diones <i>via</i> alkoxyallylation.","Chemical communications (Cambridge, England)","2025","61","96","19108","19111","10.1039/d5cc05400a","","","0.71073","MoKα","","0.0694","0.0314","","","0.0649","0.0805","","","","","","1.013","","","","has coordinates,has disorder","304073","2025-12-06","19:57:21",""
"7135118","8.4261","0.0004","11.7773","0.0006","11.2319","0.0006","90","","107.842","0.0017","90","","1061.01","0.09","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 O3 -","- C25 H28 O3 -","- C50 H56 O6 -","2","1","","Maurya, Sundaram; Patil, Vaibhav B.; Raghu Ramudu, G.; Amrutkar, Virendra S.; Mendapara, Yash G.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","CuH-catalyzed stereoselective desymmetrization of prochiral cyclopentane-1,3-diones <i>via</i> alkoxyallylation.","Chemical communications (Cambridge, England)","2025","61","96","19108","19111","10.1039/d5cc05400a","","","0.71073","MoKα","","0.0393","0.0356","","","0.0966","0.1001","","","","","","1.059","","","","has coordinates","304073","2025-12-06","19:57:22",""
"7135119","8.1541","0.0002","8.182","0.0002","15.3186","0.0003","103.249","0.002","101.047","0.002","92.876","0.002","971.63","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","SMAS-CN","","- C25 H18 N2 O4 -","- C25 H18 N2 O4 -","- C50 H36 N4 O8 -","2","1","","Liu, Luyao; Xiao, Chenfa; Li, Yin; Wan, Jiaxing; Tang, Ben Zhong; Wang, Zhiming","An ultra-simple construction strategy for uncommon 3,4-diaryl-modified maleimide luminophores and their unique aggregation-induced asymmetric effect (AIAE) on conformation.","Chemical communications (Cambridge, England)","2025","61","93","18380","18383","10.1039/d5cc04662a","","x-ray","1.54184","CuKα","","0.0335","0.0325","","","0.0837","0.0845","","","","","","1.055","","","","has coordinates","303532","2025-11-29","17:41:43",""
"7135120","14.78458","0.00018","16.90271","0.00016","14.64273","0.00019","90","","108.139","0.0013","90","","3477.36","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","SMAH-CN","","- C47 H32 N4 O2 -","- C47 H32 N4 O2 -","- C188 H128 N16 O8 -","4","1","","Liu, Luyao; Xiao, Chenfa; Li, Yin; Wan, Jiaxing; Tang, Ben Zhong; Wang, Zhiming","An ultra-simple construction strategy for uncommon 3,4-diaryl-modified maleimide luminophores and their unique aggregation-induced asymmetric effect (AIAE) on conformation.","Chemical communications (Cambridge, England)","2025","61","93","18380","18383","10.1039/d5cc04662a","","x-ray","1.54184","CuKα","","0.0409","0.0402","","","0.0957","0.0962","","","","","","1.034","","","","has coordinates","303532","2025-11-29","17:41:44",""
"7135121","7.4442","0.0001","9.0095","0.0001","10.8263","0.0002","88.03","0.001","76.686","0.001","87.558","0.001","705.721","0.018","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3,5-dinitrobenzoic acid, isonicotinamide","","- C13 H10 N4 O7 -","- C13 H10 N4 O7 -","- C26 H20 N8 O14 -","2","1","","Scheepers, Matthew C.; Haynes, Delia A.","Design and synthesis of ternary multi-component crystals by sublimation.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc04584c","","x-ray","0.71073","MoKα","","0.06","0.0487","","","0.1373","0.1503","","","","","","1.071","","","","has coordinates","303078","2025-10-28","22:59:01",""
"7135122","15.999","0.013","8.007","0.006","9.943","0.008","90","","105.312","0.013","90","","1228.5","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyridine-4-carboxamide","Isonicotinamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Scheepers, Matthew C.; Haynes, Delia A.","Design and synthesis of ternary multi-component crystals by sublimation.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc04584c","","x-ray","0.71073","MoKα","","0.1183","0.0736","","","0.2495","0.2696","","","","","","1.224","","","","has coordinates","303078","2025-10-28","22:59:03",""
"7135123","8.1848","0.0003","10.8341","0.0004","12.2177","0.0005","71.159","0.002","81.7","0.002","89.974","0.002","1013.38","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3,5-dinitrobenzoic acid, isonicotinamide","","- C19 H16 N6 O8 -","- C19 H16 N6 O8 -","- C38 H32 N12 O16 -","2","1","","Scheepers, Matthew C.; Haynes, Delia A.","Design and synthesis of ternary multi-component crystals by sublimation.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc04584c","","x-ray","0.71073","MoKα","","0.1878","0.0643","","","0.1426","0.1948","","","","","","0.998","","","","has coordinates","303078","2025-10-28","22:59:04",""
"7135124","8.4196","0.0007","13.3701","0.0011","13.4639","0.0011","90","","101.402","0.001","90","","1485.7","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dinitrobenzoic acid, 3-aminobenzoic acid","","- C14 H11 N3 O8 -","- C14 H11 N3 O8 -","- C56 H44 N12 O32 -","4","1","","Scheepers, Matthew C.; Haynes, Delia A.","Design and synthesis of ternary multi-component crystals by sublimation.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc04584c","","x-ray","0.71073","MoKα","","0.1199","0.0702","","","0.2107","0.2398","","","","","","1.101","","","","has coordinates","303078","2025-10-28","22:59:04",""
"7135125","17.8367","0.0005","12.2586","0.0003","13.8777","0.0004","90","","90.554","0.002","90","","3034.26","0.14","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-dinitrobenzoic acid, 3-aminobenzoic acid, 4,4'-bipyridine","","- C31 H23 N7 O14 -","- C31 H23 N7 O14 -","- C124 H92 N28 O56 -","4","0.5","","Scheepers, Matthew C.; Haynes, Delia A.","Design and synthesis of ternary multi-component crystals by sublimation.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc04584c","","x-ray","0.71073","MoKα","","0.1079","0.0985","","","0.2812","0.2869","","","","","","1.193","","","","has coordinates,has disorder","303078","2025-10-28","22:59:05",""
"7135126","7.9234","0.0003","8.7843","0.0003","13.3922","0.0005","92.797","0.001","101.022","0.001","95.147","0.001","909.16","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N5 O4 -","- C19 H19 N5 O4 -","- C38 H38 N10 O8 -","2","1","","Scheepers, Matthew C.; Haynes, Delia A.","Design and synthesis of ternary multi-component crystals by sublimation.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc04584c","","x-ray","0.71073","MoKα","","0.0829","0.0506","","","0.1355","0.1585","","","","","","1.017","","","","has coordinates","303078","2025-10-28","22:59:06",""
"7135127","7.2524","0.0005","8.8044","0.0005","16.4118","0.001","93.805","0.002","91.218","0.002","94.787","0.002","1041.61","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","3,5-dinitrobenzoic acid, 3-aminobenzoic acid, isonicotinamide","","- C20 H17 N5 O9 -","- C20 H17 N5 O9 -","- C40 H34 N10 O18 -","2","1","","Scheepers, Matthew C.; Haynes, Delia A.","Design and synthesis of ternary multi-component crystals by sublimation.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc04584c","","x-ray","0.71073","MoKα","","0.1863","0.092","","","0.2541","0.3303","","","","","","0.994","","","","has coordinates","303078","2025-10-28","22:59:06",""
"7135128","10.6274","0.0011","13.5606","0.0015","31.507","0.003","90","","90","","90","","4540.6","0.8","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 Cl2 Fe2 N O6 S4 -","- C46 H45 Cl2 Fe2 N O6 S4 -","- C184 H180 Cl8 Fe8 N4 O24 S16 -","4","1","","Li, Shiguang; Wang, Jiang; Lv, Ya; Chi, Yonggui Robin; Gan, Xiuhai; Wu, Xingxing","N-Heterocyclic carbene-catalyzed asymmetric synthesis of bis-ferrocene derivatives bearing two stereogenic planes.","Chemical communications (Cambridge, England)","2025","61","96","19036","19039","10.1039/d5cc05636e","","","0.71073","MoKα","","0.1074","0.074","","","0.1834","0.2029","","","","","","1.027","","","","has coordinates,has disorder","304074","2025-12-06","19:57:33",""
"7135129","11.0201","0.0003","7.3436","0.0002","21.6386","0.0006","90","","94.376","0.002","90","","1746.05","0.08","213","20","213","20","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(1-fluoro-2-(naphthalen-2-yl)-2-oxoethyl)-2-methoxy-3,4-dihydroisoquinolin-1(2H)-one","","- C22 H18 F N O3 -","- C22 H18 F N O3 -","- C88 H72 F4 N4 O12 -","4","1","","Lin, Wei; Luo, Zhenli; Zhu, Huixuan; Hu, Jinhui; Xiong, Zhuang; Wu, Jia-Qiang","Rh(III)-catalyzed C-H activation/β-F elimination/Michael addition: diastereoselective access to dihydroisoquinolinones featuring β-amino α-fluorocarbonyl motif.","Chemical communications (Cambridge, England)","2025","61","94","18709","18712","10.1039/d5cc04004c","","x-ray","1.54184","CuKα","","0.0469","0.0391","","","0.1035","0.109","","","","","","1.053","","","","has coordinates","303554","2025-11-29","17:48:44",""
"7135130","7.3449","0.0001","9.4651","0.0001","25.5608","0.0003","90","","93.017","0.001","90","","1774.53","0.04","299.19","0.1","299.19","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 F0.5 N0.5 O1.5 -","- C11 H9 F0.5 N0.5 O1.5 -","- C88 H72 F4 N4 O12 -","8","2","","Lin, Wei; Luo, Zhenli; Zhu, Huixuan; Hu, Jinhui; Xiong, Zhuang; Wu, Jia-Qiang","Rh(III)-catalyzed C-H activation/β-F elimination/Michael addition: diastereoselective access to dihydroisoquinolinones featuring β-amino α-fluorocarbonyl motif.","Chemical communications (Cambridge, England)","2025","61","94","18709","18712","10.1039/d5cc04004c","","x-ray","1.54184","CuKα","","0.0487","0.0449","","","0.1253","0.1289","","","","","","1.043","","","","has coordinates","303554","2025-11-29","17:48:45",""
"7135131","11.2963","0.0005","11.2963","0.0005","7.1996","0.0004","90","","90","","120","","795.63","0.07","273","2","273.15","","","","","","","","","6","P -3 m 1","-P 3 2""","164","","K4NaScP2O8F2","","- F K1.999 Na0.501 O4 P Sc0.5 -","- F K1.999 Na0.501 O4 P Sc0.5 -","- F6 K11.994 Na3.006 O24 P6 Sc3 -","6","0.5","","Zhao, Huijian; Li, Conggang; Ye, Ning; Hu, Zhanggui","Tailoring UV waveplate materials <i>via</i> rational assembly of functional motifs in scandium fluoride phosphate.","Chemical communications (Cambridge, England)","2025","61","88","17145","17148","10.1039/d5cc04573h","","","0.71073","MoKα","","0.043","0.0301","","","0.0651","0.0709","","","","","","1.0455","","","","has coordinates","303110","2025-10-30","22:58:32",""
"7135132","9.51124","0.00005","15.99027","0.00009","12.44468","0.00006","90","","101.867","0.0005","90","","1852.23","0.017","100","0.12","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O5 -","- C25 H19 N O5 -","- C100 H76 N4 O20 -","4","1","","Powderly, Marian E.; Lindup, Toby; Jackman, Edward H.; Light, Mark E.; Legros, Julien; Chataigner, Isabelle; Harrowven, David C.","Photocyclisations of <i>o</i>-iodobenzyl-indanones and tetralones infer the intermediacy of triplet aryl cations.","Chemical communications (Cambridge, England)","2025","61","97","19229","19232","10.1039/d5cc05185a","","x-ray","1.54184","CuKα","","0.0594","0.059","","","0.1458","0.1461","","","","","","1.044","","","","has coordinates","304068","2025-12-06","19:53:12",""
"7135133","10.2969","0.0002","9.8246","0.0002","14.8656","0.0003","90","","93.018","0.002","90","","1501.76","0.05","100","0.1","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O5 -","- C20 H16 O5 -","- C80 H64 O20 -","4","1","","Powderly, Marian E.; Lindup, Toby; Jackman, Edward H.; Light, Mark E.; Legros, Julien; Chataigner, Isabelle; Harrowven, David C.","Photocyclisations of <i>o</i>-iodobenzyl-indanones and tetralones infer the intermediacy of triplet aryl cations.","Chemical communications (Cambridge, England)","2025","61","97","19229","19232","10.1039/d5cc05185a","","x-ray","1.54184","CuKα","","0.037","0.0337","","","0.0915","0.0942","","","","","","1.064","","","","has coordinates","304068","2025-12-06","19:53:13",""
"7135134","20.9727","0.0003","8.1208","0.0001","20.9626","0.0002","90","","100.685","0.001","90","","3508.34","0.08","100","0.1","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H16.98 Cl O6 -","- C20.5 H16.98 Cl O6 -","- C164 H135.84 Cl8 O48 -","8","1","","Powderly, Marian E.; Lindup, Toby; Jackman, Edward H.; Light, Mark E.; Legros, Julien; Chataigner, Isabelle; Harrowven, David C.","Photocyclisations of <i>o</i>-iodobenzyl-indanones and tetralones infer the intermediacy of triplet aryl cations.","Chemical communications (Cambridge, England)","2025","61","97","19229","19232","10.1039/d5cc05185a","","x-ray","1.54184","CuKα","","0.0347","0.0332","","","0.0839","0.0849","","","","","","1.064","","","","has coordinates,has disorder","304068","2025-12-06","19:53:14",""
"7135135","8.3627","0.0001","10.9839","0.0001","16.0035","0.0002","90","","97.525","0.001","90","","1457.34","0.03","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 O5 -","- C19 H14 O5 -","- C76 H56 O20 -","4","1","","Powderly, Marian E.; Lindup, Toby; Jackman, Edward H.; Light, Mark E.; Legros, Julien; Chataigner, Isabelle; Harrowven, David C.","Photocyclisations of <i>o</i>-iodobenzyl-indanones and tetralones infer the intermediacy of triplet aryl cations.","Chemical communications (Cambridge, England)","2025","61","97","19229","19232","10.1039/d5cc05185a","","x-ray","1.54184","CuKα","","0.0325","0.0315","","","0.0793","0.0801","","","","","","1.044","","","","has coordinates","304068","2025-12-06","19:53:14",""
"7135136","7.8446","0.0001","8.6853","0.0001","11.0599","0.0003","77.008","0.002","83.439","0.002","81.312","0.001","723.3","0.02","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C40 H36 O6 -","2","1","","Powderly, Marian E.; Lindup, Toby; Jackman, Edward H.; Light, Mark E.; Legros, Julien; Chataigner, Isabelle; Harrowven, David C.","Photocyclisations of <i>o</i>-iodobenzyl-indanones and tetralones infer the intermediacy of triplet aryl cations.","Chemical communications (Cambridge, England)","2025","61","97","19229","19232","10.1039/d5cc05185a","","x-ray","1.54184","CuKα","","0.0319","0.0312","","","0.0809","0.0815","","","","","","1.043","","","","has coordinates","304068","2025-12-06","19:53:14",""
"7135137","10.3033","0.0002","16.8149","0.0004","7.3464","0.0001","90","","92.449","0.002","90","","1271.59","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O3 S -","- C16 H11 N O3 S -","- C64 H44 N4 O12 S4 -","4","1","","Powderly, Marian E.; Lindup, Toby; Jackman, Edward H.; Light, Mark E.; Legros, Julien; Chataigner, Isabelle; Harrowven, David C.","Photocyclisations of <i>o</i>-iodobenzyl-indanones and tetralones infer the intermediacy of triplet aryl cations.","Chemical communications (Cambridge, England)","2025","61","97","19229","19232","10.1039/d5cc05185a","","x-ray","1.54184","CuKα","","0.0297","0.0283","","","0.0769","0.0778","","","","","","1.105","","","","has coordinates","304068","2025-12-06","19:53:14",""
"7135138","9.0209","0.0002","9.603","0.0002","13.967","0.0002","73.695","0.001","71.448","0.001","66.6","0.002","1036.01","0.04","99.99","0.1","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 I O6 -","- C22 H21 I O6 -","- C44 H42 I2 O12 -","2","1","","Powderly, Marian E.; Lindup, Toby; Jackman, Edward H.; Light, Mark E.; Legros, Julien; Chataigner, Isabelle; Harrowven, David C.","Photocyclisations of <i>o</i>-iodobenzyl-indanones and tetralones infer the intermediacy of triplet aryl cations.","Chemical communications (Cambridge, England)","2025","61","97","19229","19232","10.1039/d5cc05185a","","x-ray","1.54184","CuKα","","0.0172","0.0172","","","0.0451","0.0451","","","","","","1.036","","","","has coordinates","304068","2025-12-06","19:53:14",""
"7135139","18.0962","0.0002","23.3405","0.0003","18.1023","0.0002","90","","100.648","0.001","90","","7514.29","0.15","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","MB080","","- C56 H119 Au Cl N Sb2 Si9 -","- C56 H119 Au Cl N Sb2 Si9 -","- C224 H476 Au4 Cl4 N4 Sb8 Si36 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Langellotti, Vincenzo; Schnakenburg, Gregor; Gomila, Rosa M.; Frontera, Antonio; Bismuto, Alessandro","Synthesis and reactivity of a small distibacycle featuring an Au-Sb bimetallic linkage.","Chemical communications (Cambridge, England)","2025","61","97","19309","19312","10.1039/d5cc04941e","","","0.71073","MoKα","","0.0468","0.0453","","","0.1254","0.1268","","","","","","1.141","","","","has coordinates,has disorder","304071","2025-12-06","19:54:07",""
"7135140","12.5283","0.0003","36.1287","0.0008","17.215","0.0004","90","","109.18","0.001","90","","7359.5","0.3","104","","104","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","MBO80-2","","- C106 H224 Au2 Cl2 N2 O Sb4 Si18 -","- C106 H224 Au2 Cl2 N2 O Sb4 Si18 -","- C212 H448 Au4 Cl4 N4 O2 Sb8 Si36 -","2","0.5","","Palui, Prasenjit; Bollenbeck, Matthias; Langellotti, Vincenzo; Schnakenburg, Gregor; Gomila, Rosa M.; Frontera, Antonio; Bismuto, Alessandro","Synthesis and reactivity of a small distibacycle featuring an Au-Sb bimetallic linkage.","Chemical communications (Cambridge, England)","2025","61","97","19309","19312","10.1039/d5cc04941e","","x-ray","0.71073","MoKα","","0.0538","0.0394","","","0.0767","0.0831","","","","","","1.033","","","","has coordinates,has disorder","304071","2025-12-06","19:54:08",""
"7135141","13.353","0.002","15.201","0.002","20.751","0.003","90","","91.064","0.006","90","","4211.3","1","100","","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H30 Cl6 Ir N5 S2 -","- C39 H27 Cl3 Ir N5 S2 -","- C156 H108 Cl12 Ir4 N20 S8 -","4","1","","Morales-Pioz, Eva; Redrado, Marta; Benedi, Andrea; de Aquino, Araceli; García-Orduña, Pilar; Royo-Cañas, María; Godino, Javier; Marzo, I.; Rodríguez, Laura; Gimeno, M Concepción; Fernández-Moreira, Vanesa","Cyclometallated iridium(III) complexes: ligand-driven selectivity for chemotherapy and photodynamic therapy.","Chemical communications (Cambridge, England)","2025","61","97","19237","19240","10.1039/d5cc04768d","","","0.71073","MoKα","","0.1041","0.0653","","","0.1395","0.156","","","","","","1.07","","","","has coordinates","304070","2025-12-06","19:53:51",""
"7135142","11.7047","0.0006","11.9303","0.0006","13.8652","0.0007","98.8114","0.0015","95.4596","0.0015","94.8484","0.0016","1894.93","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H19 B -","- C27 H19 B -","- C108 H76 B4 -","4","2","","Chang, Ke-Wei; Lai, Ting-Yi; Chin, To-Jen; Anitha, Mandala; Liu, Yi-Hung; Ishiwari, Fumitaka; Saeki, Akinori; Farrell, Jeffrey M.","Facile π-extension of boron-doped polycyclic aromatic hydrocarbons by frustrated Lewis pair alkynylation.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05480j","","","1.54178","CuKα","","0.0482","0.0465","","","0.1242","0.1263","","","","","","1.04","","","","has coordinates","303197","2025-11-05","23:04:25",""
"7135143","3.8479","0.0003","25.12","0.0015","18.2066","0.0012","90","","92.161","0.004","90","","1758.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 B F -","- C26 H16 B F -","- C104 H64 B4 F4 -","4","1","","Chang, Ke-Wei; Lai, Ting-Yi; Chin, To-Jen; Anitha, Mandala; Liu, Yi-Hung; Ishiwari, Fumitaka; Saeki, Akinori; Farrell, Jeffrey M.","Facile π-extension of boron-doped polycyclic aromatic hydrocarbons by frustrated Lewis pair alkynylation.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05480j","","","1.54178","CuKα","","0.0683","0.0495","","","0.1334","0.1466","","","","","","1.041","","","","has coordinates","303197","2025-11-05","23:04:34",""
"7135144","59.4616","0.0019","9.983","0.0003","21.9645","0.0007","90","","105.428","0.0013","90","","12568.4","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C46 H28 B2 -","- C46 H28 B2 -","- C736 H448 B32 -","16","2","","Chang, Ke-Wei; Lai, Ting-Yi; Chin, To-Jen; Anitha, Mandala; Liu, Yi-Hung; Ishiwari, Fumitaka; Saeki, Akinori; Farrell, Jeffrey M.","Facile π-extension of boron-doped polycyclic aromatic hydrocarbons by frustrated Lewis pair alkynylation.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05480j","","","1.54178","CuKα","","0.0517","0.0423","","","0.1176","0.1273","","","","","","1.018","","","","has coordinates","303197","2025-11-05","23:04:36",""
"7135145","27.7844","0.0013","3.9198","0.0002","32.0442","0.0015","90","","103.451","0.002","90","","3394.2","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 B2 -","- C48 H38 B2 -","- C192 H152 B8 -","4","1","","Chang, Ke-Wei; Lai, Ting-Yi; Chin, To-Jen; Anitha, Mandala; Liu, Yi-Hung; Ishiwari, Fumitaka; Saeki, Akinori; Farrell, Jeffrey M.","Facile π-extension of boron-doped polycyclic aromatic hydrocarbons by frustrated Lewis pair alkynylation.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05480j","","","1.54184","CuKα","","0.0484","0.0424","","","0.1135","0.1191","","","","","","1.03","","","","has coordinates","303197","2025-11-05","23:04:39",""
"7135146","9.2605","0.0002","31.4635","0.0007","10.1892","0.0002","90","","116.391","0.0009","90","","2659.39","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 B N -","- C38 H26 B N -","- C152 H104 B4 N4 -","4","1","","Chang, Ke-Wei; Lai, Ting-Yi; Chin, To-Jen; Anitha, Mandala; Liu, Yi-Hung; Ishiwari, Fumitaka; Saeki, Akinori; Farrell, Jeffrey M.","Facile π-extension of boron-doped polycyclic aromatic hydrocarbons by frustrated Lewis pair alkynylation.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05480j","","","1.54178","CuKα","","0.0464","0.043","","","0.1163","0.1198","","","","","","1.036","","","","has coordinates","303197","2025-11-05","23:04:43",""
"7135147","11.4924","0.0005","4.8929","0.0002","36.2021","0.0014","90","","97.4308","0.0017","90","","2018.59","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 B -","- C29 H23 B -","- C116 H92 B4 -","4","1","","Chang, Ke-Wei; Lai, Ting-Yi; Chin, To-Jen; Anitha, Mandala; Liu, Yi-Hung; Ishiwari, Fumitaka; Saeki, Akinori; Farrell, Jeffrey M.","Facile π-extension of boron-doped polycyclic aromatic hydrocarbons by frustrated Lewis pair alkynylation.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05480j","","","1.54178","CuKα","","0.0551","0.047","","","0.121","0.1285","","","","","","1.058","","","","has coordinates,has disorder","303197","2025-11-05","23:04:56",""
"7135148","7.4166","0.0003","12.7823","0.0004","19.1202","0.0006","79.8121","0.0016","89.9142","0.0016","85.4566","0.0017","1778.29","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H21 B -","- C24 H21 B -","- C96 H84 B4 -","4","2","","Chang, Ke-Wei; Lai, Ting-Yi; Chin, To-Jen; Anitha, Mandala; Liu, Yi-Hung; Ishiwari, Fumitaka; Saeki, Akinori; Farrell, Jeffrey M.","Facile π-extension of boron-doped polycyclic aromatic hydrocarbons by frustrated Lewis pair alkynylation.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05480j","","","1.54178","CuKα","","0.0643","0.054","","","0.1439","0.1519","","","","","","1.024","","","","has coordinates","303197","2025-11-05","23:04:57",""
"7135149","8.8121","0.0002","10.1918","0.0002","13.9891","0.0004","99.49","0.002","97.145","0.002","103.344","0.002","1188.33","0.05","299.13","0.1","299.13","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O -","- C32 H26 N2 O -","- C64 H52 N4 O2 -","2","1","","Ma, Qiyuan; Qin, Hao; He, Xulong; Zheng, Zexi; Ding, Yawen; Yuan, Yu; Zhang, Shuwei; Jia, Xiaodong","Design, synthesis and structural investigation of a novel class of aggregation-induced emission (AIE) molecular scaffolds.","Chemical communications (Cambridge, England)","2025","61","97","19281","19284","10.1039/d5cc04833h","","x-ray","1.54184","CuKα","","0.0419","0.0366","","","0.0968","0.1006","","","","","","1.051","","","","has coordinates","304069","2025-12-06","19:53:36",""
"7135150","11.6092","0.0009","12.2172","0.001","16.4574","0.0013","90","","90","","90","","2334.2","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 N2 O -","- C32 H26 N2 O -","- C128 H104 N8 O4 -","4","1","","Ma, Qiyuan; Qin, Hao; He, Xulong; Zheng, Zexi; Ding, Yawen; Yuan, Yu; Zhang, Shuwei; Jia, Xiaodong","Design, synthesis and structural investigation of a novel class of aggregation-induced emission (AIE) molecular scaffolds.","Chemical communications (Cambridge, England)","2025","61","97","19281","19284","10.1039/d5cc04833h","","","1.34139","GaKα","","0.045","0.0388","","","0.094","0.0972","","","","","","1.092","","","","has coordinates","304069","2025-12-06","19:53:37",""
"7135151","15.1639","0.0016","18.904","0.002","20.266","0.002","89.732","0.004","74.207","0.004","89.827","0.004","5590","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H56 Cl6 N8 O3 -","- C58.9995 H55.9995 Cl5.9985 N8 O3 -","- C235.998 H223.998 Cl23.994 N32 O12 -","4","2","","Liu, Shuangbin; Xiang, Yuanke; Chen, Xinqi; Gao, Haofeng; Yang, Xiaoran; Li, Jinmei; Fan, Jianxian; Liu, Ziyuan; He, Tianwei; Qiu, Li","Molecular engineering of porous organic cages for iodine capture and fluorescence detection.","Chemical communications (Cambridge, England)","2025","61","96","19124","19127","10.1039/d5cc05062f","","","0.71073","MoKα","","0.1112","0.0778","","","0.191","0.2198","","","","","","1.054","","","","has coordinates,has disorder","304076","2025-12-06","19:57:56",""
"7135152","10.502","0.0007","17.367","0.0013","38.68","0.003","93.004","0.002","90.221","0.002","92.104","0.002","7040.2","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C73 H64 Cl12 N6 O3 -","- C73 H64 Cl12 N6 O3 -","- C292 H256 Cl48 N24 O12 -","4","2","","Liu, Shuangbin; Xiang, Yuanke; Chen, Xinqi; Gao, Haofeng; Yang, Xiaoran; Li, Jinmei; Fan, Jianxian; Liu, Ziyuan; He, Tianwei; Qiu, Li","Molecular engineering of porous organic cages for iodine capture and fluorescence detection.","Chemical communications (Cambridge, England)","2025","61","96","19124","19127","10.1039/d5cc05062f","","x-ray","0.71073","MoKα","","0.1217","0.0744","","","0.1351","0.1572","","","","","","1.097","","","","has coordinates,has disorder","304076","2025-12-06","19:57:57",""
"7135153","10.981","0.003","14.833","0.004","13.238","0.003","90","","90.05","0.02","90","","2156.2","1","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H40 F10 N4 O9 Zn -","- C43 H40 F10 N4 O9 Zn -","- C86 H80 F20 N8 O18 Zn2 -","2","1","","Sarwa, Aleksandra; Matviyishyn, Maksym; Perdek, Jędrzej P.; Trzaskowski, Bartosz; Kulesza, Dagmara; Zych, Eugeniusz; Szyszko, Bartosz","Mechanically Interlocked Porphyrinoids: Self-Assembly of Metal-Stabilised Catenaphyrins","Chemical Communications","2025","","","","","10.1039/D5CC05702G","","x-ray","1.54184","CuKα","","0.0224","0.0221","","","0.0581","0.0583","","","","","","1.038","","","","has coordinates,has disorder","303200","2025-11-05","23:10:44",""
"7135154","23.123","0.004","23.123","0.004","16.184","0.003","90","","90","","120","","7494","2","99.98","0.1","99.98","0.1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C76 H64 N12 O8 Zn2 -","- C76 H64 N12 O8 Zn2 -","- C228 H192 N36 O24 Zn6 -","3","0.5","","Sarwa, Aleksandra; Matviyishyn, Maksym; Perdek, Jędrzej P.; Trzaskowski, Bartosz; Kulesza, Dagmara; Zych, Eugeniusz; Szyszko, Bartosz","Mechanically Interlocked Porphyrinoids: Self-Assembly of Metal-Stabilised Catenaphyrins","Chemical Communications","2025","","","","","10.1039/D5CC05702G","","x-ray","1.54184","CuKα","","0.0446","0.0436","","","0.127","0.1281","","","","","","1.087","","","","has coordinates","303200","2025-11-05","23:11:01",""
"7135155","13.0408","0.0001","15.0939","0.0001","21.6308","0.0001","90","","95.267","0.001","90","","4239.75","0.05","106","2","106","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H59 Br Cl2 N2 Pd -","- C46 H59 Br Cl2 N2 Pd -","- C184 H236 Br4 Cl8 N8 Pd4 -","4","1","","Tzouras, Nikolaos V.; Fleischer, Ruben; Satta, Pierpaolo; Manna, Sourav; Doppiu, Angelino; Goossen, Lukas J.","Mild cross-coupling of tertiary alkoxides with aryl chlorides enabled by a shelf-stable methylnaphthyl palladium NHC complex","Chemical Communications","2025","","","","","10.1039/D5CC05726D","","x-ray","1.54184","CuKα","","0.0433","0.0412","","","0.1178","0.1199","","","","","","1.046","","","","has coordinates,has disorder","303214","2025-11-06","22:58:54",""
"7135156","20.707","0.003","6.5276","0.0009","13.766","0.002","90","","95.222","0.006","90","","1853","0.5","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N-(4-bromophenyl)-3-(2-(pyridin-2-ylmethylene)hydrazine-1-carbonyl)benzamide","","- C20 H17 Br N4 O3 -","- C20 H17 Br N4 O3 -","- C80 H68 Br4 N16 O12 -","4","1","","Shivpuje, Umesh; Ahmad, Manzoor; Roy, Naveen Joseph; Talukdar, Pinaki","Ligand-responsive ON-OFF anion transport using copper-caged acylhydrazone transporters","Chemical Communications","2025","","","","","10.1039/D5CC04105H","","","0.71073","MoKα","","0.1171","0.0683","","","0.1253","0.1398","","","","","","1.116","","","","has coordinates","303215","2025-11-06","22:59:32",""
"7135157","28.37523","0.00014","28.37523","0.00014","14.57079","0.00013","90","","90","","90","","11731.7","0.13","100","0.1","100","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C64 H84 O4 S4 -","- C64 H84 O4 S4 -","- C512 H672 O32 S32 -","8","0.5","","Losus, Renny Maria; Bleus, Sem; Bon, Volodymyr; Kaskel, Stefan; Dehaen, Wim; Dobrzańska, Liliana","Adaptive crystals of homothiacalix[4]arene capable of molecular recognition, with preferential uptake of benzene over cyclohexane.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05862g","","x-ray","1.54184","CuKα","","0.046","0.0432","","","0.1229","0.1255","","","","","","1.036","","","","has coordinates","303225","2025-11-07","23:14:02",""
"7135158","10.7957","0.0006","11.4363","0.0007","12.1971","0.0007","68.795","0.005","86.611","0.005","62.936","0.006","1240.07","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H72 O4 S4 -","- C52 H72 O4 S4 -","- C52 H72 O4 S4 -","1","0.5","","Losus, Renny Maria; Bleus, Sem; Bon, Volodymyr; Kaskel, Stefan; Dehaen, Wim; Dobrzańska, Liliana","Adaptive crystals of homothiacalix[4]arene capable of molecular recognition, with preferential uptake of benzene over cyclohexane.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05862g","","","1.54184","CuKα","","0.0892","0.0731","","","0.1972","0.2081","","","","","","1.055","","","","has coordinates,has disorder","303225","2025-11-07","23:14:04",""
"7135159","13.5017","0.0004","24.9584","0.0005","14.6029","0.0003","90","","90","","90","","4920.9","0.2","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C52 H72 O4 S4 -","- C52 H72 O4 S4 -","- C208 H288 O16 S16 -","4","0.5","","Losus, Renny Maria; Bleus, Sem; Bon, Volodymyr; Kaskel, Stefan; Dehaen, Wim; Dobrzańska, Liliana","Adaptive crystals of homothiacalix[4]arene capable of molecular recognition, with preferential uptake of benzene over cyclohexane.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05862g","","","1.54184","CuKα","","0.0658","0.0527","","","0.1341","0.1419","","","","","","1.055","","","","has coordinates,has disorder","303225","2025-11-07","23:14:04",""
"7135160","22.5652","0.0006","22.5982","0.0006","30.2731","0.0008","77.825","0.001","85.366","0.002","65.661","0.001","13748.6","0.6","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C257 H205 Co4 N11 O45 -","- C257 H205 Co4 N11 O45 -","- C514 H410 Co8 N22 O90 -","2","1","","Ma, Li-Li; Liu, Shengjin; Yang, Feinian; Cao, Jian; Ding, Longyi; Li, Yang; Yuan, Guozan","Integration of perylene diimide into a two-dimensional cobalt-organic framework for enhanced photocatalysis","Chemical Communications","2025","","","","","10.1039/D5CC05626H","","","1.54178","CuKα","","0.1397","0.1082","","","0.2375","0.2525","","","","","","1.085","","","","has coordinates","303252","2025-11-11","22:55:59",""
"7135161","21.6291","0.0002","8.6367","0.0001","30.4166","0.0002","90","","94.806","0.001","90","","5661.97","0.09","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C29 H27 N3 O4 S2 -","- C29 H27 N3 O4 S2 -","- C232 H216 N24 O32 S16 -","8","1","","Yadav, Anup Kumar; Kumar, Vipin; Singh, Saurabh; Samai, Subhasis; Singh, Maya Shankar","Synthesis of pyrrolo[3,4-c]pyridines via metal-free cross-coupling/cyclization cascades of β-ketothioamides with 2aroylmalononitrile at room temperature","Chemical Communications","2025","","","","","10.1039/D5CC04230E","","x-ray","1.54184","CuKα","","0.0537","0.0471","","","0.1372","0.1434","","","","","","1.055","","","","has coordinates,has disorder","303253","2025-11-11","22:56:32",""
"7135162","12.718","0.0009","6.6198","0.0005","20.0762","0.0017","90","","90","","90","","1690.2","0.2","273.15","","273.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C80 H80 N8 O4 -","4","1","","Hu, Qianqian; Hu, Cangzhu; Tang, Tian; Wu, Qing; Hu, Weiming; Dai, Qiang; Wang, Lei","Palladium-catalyzed aminoalkynylation/alleneamination of urea-tethered alkenes: access to imidazolidinones bearing alkynes and allenes.","Chemical communications (Cambridge, England)","2025","61","91","17898","17901","10.1039/d5cc04327a","","","0.71073","MoKα","","0.0573","0.0379","","","0.0818","0.089","","","","","","1.037","","","","has coordinates,has disorder","303254","2025-11-11","22:57:01",""
"7135163","14.5518","0.0013","7.7103","0.0007","18.9048","0.0019","90","","110.142","0.003","90","","1991.4","0.3","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N2 O -","- C23 H26 N2 O -","- C92 H104 N8 O4 -","4","1","","Hu, Qianqian; Hu, Cangzhu; Tang, Tian; Wu, Qing; Hu, Weiming; Dai, Qiang; Wang, Lei","Palladium-catalyzed aminoalkynylation/alleneamination of urea-tethered alkenes: access to imidazolidinones bearing alkynes and allenes.","Chemical communications (Cambridge, England)","2025","61","91","17898","17901","10.1039/d5cc04327a","","","0.71073","MoKα","","0.1281","0.0564","","","0.1272","0.1553","","","","","","1.013","","","","has coordinates","303254","2025-11-11","22:57:03",""
"7135164","39.393","0.004","29.71","0.003","48.245","0.005","90","","103.779","0.003","90","","54839","10","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C316 H654 N34 O236 P16 V52 -","- C219.64 H358.92 N12 O208 P16 V52 -","- C878.56 H1435.68 N48 O832 P64 V208 -","4","0.5","","Han, Shicheng; Liu, Fangcheng; Fu, Gang; Guo, Ji; Lin, Jiaheng; Wu, Hongyu; Mu, Chengyi; Fang, Xikui","Diphosphonate Functionalization of a Polyoxometalate-Organic Cage Enhances Proton Conductivity","Chemical Communications","2025","","","","","10.1039/D5CC05382J","","","0.71073","MoKα","","0.1499","0.093","","","0.2664","0.3211","","","","","","1.043","","","","has coordinates","303255","2025-11-11","22:58:04",""
"7135165","9.7302","0.0007","10.877","0.0008","11.3278","0.0008","108.364","0.002","92.134","0.002","90.464","0.002","1136.79","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C H N O -","- C2.43478 H1.91304 N0.173913 O0.347826 -","- C56 H44 N4 O8 -","23","11.5","","Saikia, Anil Kumar; Arandhara, Pallav Jyoti; Chutia, Archana","Leveraging cascade annulation of 2-alkynylcyclopropanes with substituted azides to access fused N-heterocyclic scaffolds","Chemical Communications","2025","","","","","10.1039/D5CC04317D","","","0.71073","MoKα","","0.0678","0.0516","","","0.1754","0.1962","","","","","","1.419","","","","has coordinates","303256","2025-11-11","22:58:31",""
"7135166","6.674","0.002","6.674","0.002","19.991","0.004","90","0.03","90","0.03","90","0.03","890.4","0.4","273","2","273.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","KNa2Y2B2O6F3","","- B8 F12 K4 Na8 O24 Y8 -","- B8 F12 K4 Na8 O24 Y8 -","- B8 F12 K4 Na8 O24 Y8 -","1","0.125","","Zhao, Huijian; Liu, Mengru; Nan, Weina; Yang, Ning; Li, Conggang; Ye, Ning; Hu, Zhanggui","KNa<sub>2</sub>Y<sub>2</sub>B<sub>2</sub>O<sub>6</sub>F<sub>3</sub>: a beryllium free deep-UV nonlinear optical crystal with well-balanced properties.","Chemical communications (Cambridge, England)","2025","61","91","17878","17881","10.1039/d5cc05630f","","","0.71073","MoKα","","0.023","0.0206","","","0.0484","0.0494","","","","","","1.0291","","","","has coordinates","303257","2025-11-11","22:58:53",""
"7135167","13.856","0.005","18.909","0.007","33.767","0.012","90","","90","","90","","8847","6","153.15","","153.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C78 H100 Cl2 Cu2 N6 P2 Si2 -","- C78 H100 Cl2 Cu2 N6 P2 Si2 -","- C312 H400 Cl8 Cu8 N24 P8 Si8 -","4","0.5","","Kaulage, Sandeep; Shah, Brij; Sharma, Himanshu; Panday, Rishukumar; Vanka, Kumar; Khan, Shabana","Silylene-Copper(I) Catalysis: Regioselective Protoboration of Terminal Alkynes","Chemical Communications","2025","","","","","10.1039/D5CC06125C","","","0.71073","MoKα","","0.0813","0.0675","","","0.1396","0.1462","","","","","","1.171","","","","has coordinates,has disorder","303280","2025-11-12","22:58:22",""
"7135168","11.1435","0.0012","21.864","0.002","18.789","0.002","90","","104.38","0.003","90","","4434.4","0.8","150.15","","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H61 Cu N3 P Si -","- C48 H61 Cu N3 P Si -","- C192 H244 Cu4 N12 P4 Si4 -","4","1","","Kaulage, Sandeep; Shah, Brij; Sharma, Himanshu; Panday, Rishukumar; Vanka, Kumar; Khan, Shabana","Silylene-Copper(I) Catalysis: Regioselective Protoboration of Terminal Alkynes","Chemical Communications","2025","","","","","10.1039/D5CC06125C","","","0.71073","MoKα","","0.2626","0.0891","","","0.1268","0.169","","","","","","1.02","","","","has coordinates,has disorder","303280","2025-11-12","22:58:29",""
"7135169","10.0396","0.001","19.1146","0.0018","11.968","0.0011","90","","114.685","0.003","90","","2086.8","0.3","150.15","","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H65 Cu N3 P Si -","- C42 H65 Cu N3 P Si -","- C84 H130 Cu2 N6 P2 Si2 -","2","1","","Kaulage, Sandeep; Shah, Brij; Sharma, Himanshu; Panday, Rishukumar; Vanka, Kumar; Khan, Shabana","Silylene-Copper(I) Catalysis: Regioselective Protoboration of Terminal Alkynes","Chemical Communications","2025","","","","","10.1039/D5CC06125C","","","0.71073","MoKα","","0.1441","0.0683","","","0.082","0.0984","","","","","","0.995","","","","has coordinates","303280","2025-11-12","22:58:30",""
"7135170","27.591","0.001","8.5988","0.0004","12.4","0.0005","90","","100.846","0.004","90","","2889.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N O2 -","- C19 H13 N O2 -","- C152 H104 N8 O16 -","8","2","","Wang, Deliang; Wu, Hongzhuo; Lin, Songwang; Wang, Kangfan; Wang, Dong; Xiong, Yu; Tang, Ben Zhong","Manipulating RTP properties of the same organic molecule by polymorphic engineering.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05774d","","x-ray","1.54184","CuKα","","0.0567","0.0464","","","0.1234","0.1333","","","","","","1.012","","","","has coordinates","303351","2025-11-25","10:32:28",""
"7135171","27.509","0.003","8.6819","0.001","12.636","0.002","90","","101.062","0.012","90","","2961.8","0.7","173.11","0.1","173.11","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N O2 -","- C19 H13 N O2 -","- C152 H104 N8 O16 -","8","2","","Wang, Deliang; Wu, Hongzhuo; Lin, Songwang; Wang, Kangfan; Wang, Dong; Xiong, Yu; Tang, Ben Zhong","Manipulating RTP properties of the same organic molecule by polymorphic engineering.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05774d","","x-ray","0.71073","MoKα","","0.1275","0.0685","","","0.1489","0.1865","","","","","","1.02","","","","has coordinates","303351","2025-11-25","10:32:29",""
"7135172","8.52527","0.00011","26.3892","0.0003","15.8287","0.0002","90","","100.735","0.0013","90","","3498.74","0.08","220","0.1","220","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C168 H152 N8 O24 -","8","2","","Wang, Deliang; Wu, Hongzhuo; Lin, Songwang; Wang, Kangfan; Wang, Dong; Xiong, Yu; Tang, Ben Zhong","Manipulating RTP properties of the same organic molecule by polymorphic engineering.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05774d","","x-ray","1.54184","CuKα","","0.0481","0.041","","","0.1257","0.1328","","","","","","1.001","","","","has coordinates,has disorder","303351","2025-11-25","10:32:30",""
"7135173","8.50169","0.00019","27.8458","0.0005","8.1178","0.00018","90","","103.313","0.002","90","","1870.13","0.07","220.01","0.1","220.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C88 H84 N4 O12 -","4","1","","Wang, Deliang; Wu, Hongzhuo; Lin, Songwang; Wang, Kangfan; Wang, Dong; Xiong, Yu; Tang, Ben Zhong","Manipulating RTP properties of the same organic molecule by polymorphic engineering.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05774d","","x-ray","1.54184","CuKα","","0.0522","0.0451","","","0.1253","0.1323","","","","","","1.005","","","","has coordinates","303351","2025-11-25","10:32:30",""
"7135174","8.1669","0.0005","26.4699","0.0016","15.7893","0.001","90","","104.465","0.007","90","","3305.1","0.4","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C160 H136 N8 O24 -","8","2","","Wang, Deliang; Wu, Hongzhuo; Lin, Songwang; Wang, Kangfan; Wang, Dong; Xiong, Yu; Tang, Ben Zhong","Manipulating RTP properties of the same organic molecule by polymorphic engineering.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05774d","","x-ray","0.71073","MoKα","","0.0983","0.0604","","","0.1196","0.1411","","","","","","1.038","","","","has coordinates","303351","2025-11-25","10:32:30",""
"7135175","22.7346","0.0005","13.7881","0.0002","26.2173","0.0004","90","","90","","90","","8218.3","0.3","210","","210","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C102 H63.43 Mn4 N10 O26.71 -","- C102 H63.428 Mn4 N10 O26.714 -","- C408 H253.712 Mn16 N40 O106.856 -","4","0.5","","Liu, Jiang; Xu, Sha-Sha; Liang, Jia-Zheng; Yao, Su-Juan; Li, Ning; Shi, Jing-Wen; Lan, Yaqian","Microenvironment Regulation of Active Sites for Efficient Photocatalytic Reduction of Nitrobenzene","Chemical Communications","2025","","","","","10.1039/D5CC04423E","","","1.54178","CuKα","","0.0441","0.0335","","","0.0759","0.0816","","","","","","1.025","","","","has coordinates","303352","2025-11-25","10:33:27",""
"7135176","24.6796","0.0009","13.604","0.0005","21.497","0.0008","90","","91.574","0.002","90","","7214.7","0.5","210","","210","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75.7 H62.42 Mn4 N7 O30.91 -","- C75.698 H62.404 Mn4 N7 O30.9 -","- C302.792 H249.616 Mn16 N28 O123.6 -","4","0.5","","Liu, Jiang; Xu, Sha-Sha; Liang, Jia-Zheng; Yao, Su-Juan; Li, Ning; Shi, Jing-Wen; Lan, Yaqian","Microenvironment Regulation of Active Sites for Efficient Photocatalytic Reduction of Nitrobenzene","Chemical Communications","2025","","","","","10.1039/D5CC04423E","","","1.54178","CuKα","","0.0435","0.0402","","","0.1129","0.1159","","","","","","1.058","","","","has coordinates,has disorder","303352","2025-11-25","10:33:33",""
"7135177","6.4453","0.0003","14.9945","0.0005","20.1091","0.0009","90","","90","","90","","1943.42","0.14","149.99","0.1","149.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O2 S -","- C23 H21 N O2 S -","- C92 H84 N4 O8 S4 -","4","1","","Thakur, Deepika; Meena, Shivam A.; Sharma, Manvi; Nandy, Abhijit; Arora, Kirti; Banerjee, Shibdas; Verma, Akhilesh K.","Vinyl benzotriazole to indole: an iodine-mediated denitrogenative transannulation approach for the synthesis of indoles.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05419b","","x-ray","0.71073","MoKα","","0.0593","0.0522","","","0.1482","0.1535","","","","","","1.038","","","","has coordinates","303353","2025-11-25","10:34:21",""
"7135178","7.6989","0.0002","13.6394","0.0003","17.7709","0.0006","90","","98.755","0.003","90","","1844.35","0.09","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 I N3 O2 S -","- C18 H18 I N3 O2 S -","- C72 H72 I4 N12 O8 S4 -","4","1","","Thakur, Deepika; Meena, Shivam A.; Sharma, Manvi; Nandy, Abhijit; Arora, Kirti; Banerjee, Shibdas; Verma, Akhilesh K.","Vinyl benzotriazole to indole: an iodine-mediated denitrogenative transannulation approach for the synthesis of indoles.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05419b","","x-ray","0.71073","MoKα","","0.0412","0.036","","","0.0925","0.0958","","","","","","1.031","","","","has coordinates","303353","2025-11-25","10:34:23",""
"7135179","15.1706","0.0008","11.7513","0.0008","21.1278","0.0012","90","","90","","90","","3766.5","0.4","295","0.2","295","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C176 H152 N8 O24 S8 -","8","2","","Thakur, Deepika; Meena, Shivam A.; Sharma, Manvi; Nandy, Abhijit; Arora, Kirti; Banerjee, Shibdas; Verma, Akhilesh K.","Vinyl benzotriazole to indole: an iodine-mediated denitrogenative transannulation approach for the synthesis of indoles.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05419b","","x-ray","0.71073","MoKα","","0.085","0.0482","","","0.1076","0.1224","","","","","","1.01","","","","has coordinates","303353","2025-11-25","10:34:32",""
"7135180","8.2318","0.0001","10.8621","0.0001","13.1254","0.0002","78.435","0.001","79.26","0.001","79.268","0.001","1116.05","0.02","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 Br2 N O S -","- C26 H19 Br2 N O S -","- C52 H38 Br4 N2 O2 S2 -","2","1","","Chen, Jiahong; Huang, Yuanyuan; Wang, Nan; Wang, Mengke; Huang, Weichun; Wu, Xin-Xing; Xu, Xiao-Ping; Zi, You","Regioselective Functionalization of Sulfenamides: S-Arylation with Cyclic Diaryl λ3 -Bromanes and λ3 -Chloranes","Chemical Communications","2025","","","","","10.1039/D5CC05327G","","x-ray","1.54184","CuKα","","0.0323","0.0318","","","0.0815","0.0819","","","","","","1.098","","","","has coordinates","303354","2025-11-25","10:34:59",""
"7135181","16.2375","0.0002","13.6368","0.0001","17.8447","0.0002","90","","95.875","0.001","90","","3930.55","0.07","173","0.1","173","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H60 Mo2 O4 U -","- C40 H60 Mo2 O4 U -","- C160 H240 Mo8 O16 U4 -","4","0.5","","Valerio, Leyla R.; Patra, Kamaless; Shiels, Dominic; Brennessel, William W.; Matson, Ellen M.","Synthesis and characterization of a low-valent uranium complex supported by a redox-active molybdenum oxide metalloligand.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05531h","","x-ray","1.54184","CuKα","","0.0323","0.0317","","","0.0716","0.0719","","","","","","1.036","","","","has coordinates,has disorder","303355","2025-11-25","10:35:57",""
"7135182","18.2457","0.0001","16.2988","0.0001","13.5222","0.0001","90","","90","","90","","4021.27","0.04","272.99","0.1","272.99","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H60 Cl Mo2 O4 U -","- C40 H60 Cl Mo2 O4 U -","- C160 H240 Cl4 Mo8 O16 U4 -","4","0.5","","Valerio, Leyla R.; Patra, Kamaless; Shiels, Dominic; Brennessel, William W.; Matson, Ellen M.","Synthesis and characterization of a low-valent uranium complex supported by a redox-active molybdenum oxide metalloligand.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05531h","","x-ray","1.54184","CuKα","","0.0291","0.0264","","","0.064","0.0654","","","","","","1.061","","","","has coordinates,has disorder","303355","2025-11-25","10:35:59",""
"7135183","10.405","0.0007","10.958","0.0006","23.3754","0.0016","90","","90","","90","","2665.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H30 N2 O6 S2 -","- C26 H30 N2 O6 S2 -","- C104 H120 N8 O24 S8 -","4","0.5","","Nemichand, ?; Waghmode, Amol G.; Awchar, Vilas M.; Baskaran, Sundarababu","Oxidative cyclization of active methylene amides: efficient synthesis of functionalized 3-azabicyclo[<i>n</i>.1.0]alkanes.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05248c","","","0.71073","MoKα","","0.0866","0.0554","","","0.1395","0.16","","","","","","1.047","","","","has coordinates","303356","2025-11-25","10:36:57",""
"7135184","6.6452","0.0004","9.1816","0.0007","12.2867","0.0008","81.324","0.004","80.372","0.003","85.557","0.004","729.59","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Nemichand, ?; Waghmode, Amol G.; Awchar, Vilas M.; Baskaran, Sundarababu","Oxidative cyclization of active methylene amides: efficient synthesis of functionalized 3-azabicyclo[<i>n</i>.1.0]alkanes.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05248c","","","0.71073","MoKα","","0.0639","0.05","","","0.126","0.1373","","","","","","1.037","","","","has coordinates,has disorder","303356","2025-11-25","10:36:59",""
"7135185","5.9876","0.0004","29.771","0.002","11.4497","0.0007","90","","97.157","0.003","90","","2025.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 Cl2 N O3 -","- C22 H21 Cl2 N O3 -","- C88 H84 Cl8 N4 O12 -","4","1","","Nemichand, ?; Waghmode, Amol G.; Awchar, Vilas M.; Baskaran, Sundarababu","Oxidative cyclization of active methylene amides: efficient synthesis of functionalized 3-azabicyclo[<i>n</i>.1.0]alkanes.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05248c","","","0.71073","MoKα","","0.0766","0.0436","","","0.0919","0.1088","","","","","","1.022","","","","has coordinates","303356","2025-11-25","10:37:00",""
"7135186","14.2188","0.0008","10.3324","0.0005","29.7421","0.0016","90","","90","","90","","4369.5","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H23 Cl2 N O4 -","- C23 H23 Cl2 N O4 -","- C184 H184 Cl16 N8 O32 -","8","1","","Nemichand, ?; Waghmode, Amol G.; Awchar, Vilas M.; Baskaran, Sundarababu","Oxidative cyclization of active methylene amides: efficient synthesis of functionalized 3-azabicyclo[<i>n</i>.1.0]alkanes.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05248c","","","0.71073","MoKα","","0.086","0.0465","","","0.1042","0.124","","","","","","1.019","","","","has coordinates","303356","2025-11-25","10:37:03",""
"7135187","12.2713","0.0006","15.3656","0.0008","30.0068","0.0015","90","","97.177","0.002","90","","5613.6","0.5","149","","149","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H65 Cl2 O5 P3 Re2 -","- C60 H65 Cl2 O5 P3 Re2 -","- C240 H260 Cl8 O20 P12 Re8 -","4","1","","Li, Lei; Fu, Bingjie; Zhao, Yue; Sun, Yue; Li, Yang; Jiang, Wenfeng; Bai, Wei","Synthesis and characterization of rhena-phenalenyl complexes.","Chemical communications (Cambridge, England)","2025","61","81","15858","15861","10.1039/d5cc03639a","","","0.71073","MoKα","","0.0759","0.0473","","","0.0942","0.1063","","","","","","1.019","","","","has coordinates","303425","2025-11-26","22:02:06",""
"7135188","12.6366","0.0004","10.614","0.0003","28.7173","0.0009","90","","95.677","0.001","90","","3832.8","0.2","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H35 Cl4 O2 P2 Re -","- C41 H35 Cl4 O2 P2 Re -","- C164 H140 Cl16 O8 P8 Re4 -","4","1","","Li, Lei; Fu, Bingjie; Zhao, Yue; Sun, Yue; Li, Yang; Jiang, Wenfeng; Bai, Wei","Synthesis and characterization of rhena-phenalenyl complexes.","Chemical communications (Cambridge, England)","2025","61","81","15858","15861","10.1039/d5cc03639a","","","0.71073","MoKα","","0.0296","0.0225","","","0.0462","0.0483","","","","","","1.031","","","","has coordinates","303425","2025-11-26","22:02:19",""
"7135189","19.1013","0.0004","18.1903","0.0004","13.8623","0.0003","90","","92.82","0.002","90","","4810.74","0.18","221","3","221","3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Fe I3 Pb -","- C10 H10 Fe0.833333 I3 Pb -","- C120 H120 Fe10 I36 Pb12 -","12","1.5","","Xu, Zhe-Kun; Wang, Zhong-Xia","A low-dimensional ferrocenium lead-iodide perovskite ferroelastic with a narrow band gap.","Chemical communications (Cambridge, England)","2025","61","81","15810","15813","10.1039/d5cc03384e","","x-ray","0.71073","MoKα","","0.0325","0.0248","","","0.0519","0.0534","","","","","","1.036","","","","has coordinates,has disorder","303426","2025-11-26","22:03:23",""
"7135190","10.9271","0.0006","10.9271","0.0006","8.1291","0.0003","90","","90","","120","","840.59","0.07","372.98","0.16","372.98","0.16","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C9.99 Fe I3 Pb -","- C9.996 Fe I3 Pb -","- C19.992 Fe2 I6 Pb2 -","2","0.0833333","","Xu, Zhe-Kun; Wang, Zhong-Xia","A low-dimensional ferrocenium lead-iodide perovskite ferroelastic with a narrow band gap.","Chemical communications (Cambridge, England)","2025","61","81","15810","15813","10.1039/d5cc03384e","","x-ray","0.71073","MoKα","","0.0694","0.0529","","","0.1416","0.1525","","","","","","1.04","","","","has coordinates,has disorder","303426","2025-11-26","22:03:24",""
"7135191","8.5305","0.0004","8.5305","0.0004","17.0548","0.001","90","","90","","120","","1074.8","0.1","299.98","0.1","299.98","0.1","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- C10 Fe I3 -","- C9.9996 Fe I3 -","- C29.9988 Fe3 I9 -","3","0.0833333","","Xu, Zhe-Kun; Wang, Zhong-Xia","A low-dimensional ferrocenium lead-iodide perovskite ferroelastic with a narrow band gap.","Chemical communications (Cambridge, England)","2025","61","81","15810","15813","10.1039/d5cc03384e","","x-ray","1.54184","CuKα","","0.0367","0.0362","","","0.1056","0.106","","","","","","1.119","","","","has coordinates","303426","2025-11-26","22:03:24",""
"7135192","14.444","0.0005","17.6533","0.0007","18.4027","0.0005","90","","96.711","0.001","90","","4660.2","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H73 N3 S4 -","- C48 H73 N3 S4 -","- C192 H292 N12 S16 -","4","1","","Lim, Gayeong; Cha, Jaegeum; Kim, Youngsuk","Reversible cyclodimerization of cyclic (alkyl)(amino)carbene-carbon disulfide adduct.","Chemical communications (Cambridge, England)","2025","61","93","18384","18387","10.1039/d5cc04726a","","","0.71073","MoKα","","0.0583","0.0407","","","0.097","0.1098","","","","","","1.018","","","","has coordinates","303427","2025-11-26","22:05:19",""
"7135193","23.7578","0.0001","23.7578","0.0001","10.4931","0.0001","90","","90","","90","","5922.65","0.07","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C29.03 H42.41 B N2 S -","- C29.026 H42.394 B N2 S -","- C232.208 H339.152 B8 N16 S8 -","8","1","","Chorbacher, Johannes; Hellinger, Anna; Klopf, Jonas; Friedrich, Alexandra; Helten, Holger","Thienyl flanked bis(aminoborane)s as inorganic-organic hybrid AIEgens.","Chemical communications (Cambridge, England)","2025","61","88","17149","17152","10.1039/d5cc04257g","","x-ray","1.54184","CuKα","K-L~2,3~","0.0379","0.0365","","","0.0979","0.0991","","","","","","1.079","","","","has coordinates,has disorder","303428","2025-11-26","22:07:56",""
"7135194","14.2244","0.0001","26.2529","0.0002","11.4501","0.0001","90","","92.246","0.001","90","","4272.55","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H60 B2 N2 S -","- C46 H60 B2 N2 S -","- C184 H240 B8 N8 S4 -","4","1","","Chorbacher, Johannes; Hellinger, Anna; Klopf, Jonas; Friedrich, Alexandra; Helten, Holger","Thienyl flanked bis(aminoborane)s as inorganic-organic hybrid AIEgens.","Chemical communications (Cambridge, England)","2025","61","88","17149","17152","10.1039/d5cc04257g","","x-ray","1.54184","CuKα","K-L~2,3~","0.0496","0.0439","","","0.114","0.1177","","","","","","1.046","","","","has coordinates,has disorder","303428","2025-11-26","22:07:57",""
"7135195","10.0786","0.0002","15.1951","0.0003","15.3131","0.0003","75.107","0.002","70.973","0.002","75.478","0.002","2106.45","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 B2 N2 S -","- C46 H60 B2 N2 S -","- C92 H120 B4 N4 S2 -","2","1","","Chorbacher, Johannes; Hellinger, Anna; Klopf, Jonas; Friedrich, Alexandra; Helten, Holger","Thienyl flanked bis(aminoborane)s as inorganic-organic hybrid AIEgens.","Chemical communications (Cambridge, England)","2025","61","88","17149","17152","10.1039/d5cc04257g","","x-ray","1.54184","CuKα","K-L~2,3~","0.0483","0.0428","","","0.1049","0.1081","","","","","","1.041","","","","has coordinates,has disorder","303428","2025-11-26","22:07:57",""
"7135196","13.8574","0.0008","18.3602","0.0007","20.3029","0.0008","64.529","0.004","80.521","0.004","79.824","0.004","4567.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H65 B2 N2 S2 -","- C47 H65 B2 N2 S2 -","- C188 H260 B8 N8 S8 -","4","2","","Chorbacher, Johannes; Hellinger, Anna; Klopf, Jonas; Friedrich, Alexandra; Helten, Holger","Thienyl flanked bis(aminoborane)s as inorganic-organic hybrid AIEgens.","Chemical communications (Cambridge, England)","2025","61","88","17149","17152","10.1039/d5cc04257g","","x-ray","1.54184","CuKα","K-L~2,3~","0.2166","0.1288","","","0.3859","0.442","","","","","","1.343","","","","has coordinates,has disorder","303428","2025-11-26","22:07:58",""
"7135197","10.1568","0.0007","11.9327","0.0008","13.4874","0.0009","98.078","0.002","92.088","0.002","91.572","0.002","1616.48","0.19","193","2","193","2","","","","","","","","7","P 1","P 1","1","","","","- C19 H46 Au B10 F3 N4 P2 -","- C19 H46 Au B10 F3 N4 P2 -","- C38 H92 Au2 B20 F6 N8 P4 -","2","2","","Vesseur, David; Li, Shuo; Mallet-Ladeira, Sonia; Bourissou, Didier","Ligand exchange of tris(2,4-di-<i>tert</i>-butylphenyl) phosphite: a practical and efficient route to organo gold(I) complexes.","Chemical communications (Cambridge, England)","2025","61","94","18717","18720","10.1039/d5cc05744b","","","0.71073","MoKα","","0.0876","0.0497","","","0.0734","0.085","","","","","","1.007","","","","has coordinates,has disorder","303430","2025-11-26","22:10:49",""
"7135198","15.0808","0.001","18.4456","0.001","19.4861","0.0012","90","","90","","90","","5420.5","0.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H24 Au F3 P2 -","- C31 H24 Au F3 P2 -","- C248 H192 Au8 F24 P16 -","8","1","","Vesseur, David; Li, Shuo; Mallet-Ladeira, Sonia; Bourissou, Didier","Ligand exchange of tris(2,4-di-<i>tert</i>-butylphenyl) phosphite: a practical and efficient route to organo gold(I) complexes.","Chemical communications (Cambridge, England)","2025","61","94","18717","18720","10.1039/d5cc05744b","","","0.71073","MoKα","","0.0294","0.0205","","","0.0473","0.0509","","","","","","1.041","","","","has coordinates","303430","2025-11-26","22:10:51",""
"7135199","10.2254","0.0011","16.748","0.002","18.788","0.002","90","","90","","90","","3217.5","0.6","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H47 Au B10 F2 N4 P2 -","- C19 H47 Au B10 F2 N4 P2 -","- C76 H188 Au4 B40 F8 N16 P8 -","4","1","","Vesseur, David; Li, Shuo; Mallet-Ladeira, Sonia; Bourissou, Didier","Ligand exchange of tris(2,4-di-<i>tert</i>-butylphenyl) phosphite: a practical and efficient route to organo gold(I) complexes.","Chemical communications (Cambridge, England)","2025","61","94","18717","18720","10.1039/d5cc05744b","","","0.71073","MoKα","","0.0295","0.0228","","","0.0424","0.0443","","","","","","1.036","","","","has coordinates,has disorder","303430","2025-11-26","22:10:51",""
"7135200","8.6619","0.0007","9.6434","0.0008","17.4721","0.0016","79.094","0.004","85.397","0.003","67.85","0.003","1327.3","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H40 Au B F3 P -","- C25 H40 Au B F3 P -","- C50 H80 Au2 B2 F6 P2 -","2","1","","Vesseur, David; Li, Shuo; Mallet-Ladeira, Sonia; Bourissou, Didier","Ligand exchange of tris(2,4-di-<i>tert</i>-butylphenyl) phosphite: a practical and efficient route to organo gold(I) complexes.","Chemical communications (Cambridge, England)","2025","61","94","18717","18720","10.1039/d5cc05744b","","","0.71073","MoKα","","0.025","0.0204","","","0.0464","0.0478","","","","","","1.037","","","","has coordinates","303430","2025-11-26","22:10:51",""
"7135201","8.2996","0.0014","25.654","0.005","10.1969","0.0018","90","","105.659","0.004","90","","2090.5","0.7","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 Au F3 P S -","- C18 H29 Au F3 P S -","- C72 H116 Au4 F12 P4 S4 -","4","1","","Vesseur, David; Li, Shuo; Mallet-Ladeira, Sonia; Bourissou, Didier","Ligand exchange of tris(2,4-di-<i>tert</i>-butylphenyl) phosphite: a practical and efficient route to organo gold(I) complexes.","Chemical communications (Cambridge, England)","2025","61","94","18717","18720","10.1039/d5cc05744b","","","0.71073","MoKα","","0.029","0.0244","","","0.0429","0.0442","","","","","","1.281","","","","has coordinates","303430","2025-11-26","22:10:52",""
"7135202","15.643","0.0011","8.8608","0.0006","15.3181","0.0011","90","","111.893","0.003","90","","1970.1","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H28 Au F3 N P -","- C17 H28 Au F3 N P -","- C68 H112 Au4 F12 N4 P4 -","4","1","","Vesseur, David; Li, Shuo; Mallet-Ladeira, Sonia; Bourissou, Didier","Ligand exchange of tris(2,4-di-<i>tert</i>-butylphenyl) phosphite: a practical and efficient route to organo gold(I) complexes.","Chemical communications (Cambridge, England)","2025","61","94","18717","18720","10.1039/d5cc05744b","","","0.71073","MoKα","","0.0271","0.0193","","","0.0445","0.0482","","","","","","1.049","","","","has coordinates","303430","2025-11-26","22:10:52",""
"7135203","8.2785","0.0004","9.4737","0.0005","12.7844","0.0007","97.188","0.002","101.459","0.002","110.864","0.002","896.98","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 Bi Fe -","- C22 H19 Bi Fe -","- C44 H38 Bi2 Fe2 -","2","1","","Rezazgui, David; Schulz, Jiří; Štěpnička, Petr","Practical synthesis of ferrocenyldiarylstibines and bismuthines.","Chemical communications (Cambridge, England)","2025","61","94","18705","18708","10.1039/d5cc05762k","","","0.71073","MoKα","","0.0306","0.0304","","","0.0855","0.0858","","","","","","1.085","","","","has coordinates","303431","2025-11-26","22:13:32",""
"7135204","14.2965","0.0006","12.9935","0.0005","15.2543","0.0006","90","","91.357","0.002","90","","2832.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Bi2 Fe -","- C34 H28 Bi2 Fe -","- C136 H112 Bi8 Fe4 -","4","1","","Rezazgui, David; Schulz, Jiří; Štěpnička, Petr","Practical synthesis of ferrocenyldiarylstibines and bismuthines.","Chemical communications (Cambridge, England)","2025","61","94","18705","18708","10.1039/d5cc05762k","","","0.71073","MoKα","","0.018","0.0162","","","0.0358","0.0364","","","","","","1.039","","","","has coordinates","303431","2025-11-26","22:13:33",""
"7135205","7.3495","0.0002","19.1515","0.0006","14.5035","0.0005","90","","99.657","0.001","90","","2012.5","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H9 F10 Fe Sb -","- C22 H9 F10 Fe Sb -","- C88 H36 F40 Fe4 Sb4 -","4","1","","Rezazgui, David; Schulz, Jiří; Štěpnička, Petr","Practical synthesis of ferrocenyldiarylstibines and bismuthines.","Chemical communications (Cambridge, England)","2025","61","94","18705","18708","10.1039/d5cc05762k","","","0.71073","MoKα","","0.0152","0.0145","","","0.0354","0.0357","","","","","","1.079","","","","has coordinates","303431","2025-11-26","22:13:33",""
"7135206","8.9845","0.0006","16.3617","0.0008","20.0366","0.0012","82.755","0.002","82.306","0.002","86.952","0.002","2893.6","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H31 B Fe P Sb -","- C34 H31 B Fe P Sb -","- C136 H124 B4 Fe4 P4 Sb4 -","4","2","","Rezazgui, David; Schulz, Jiří; Štěpnička, Petr","Practical synthesis of ferrocenyldiarylstibines and bismuthines.","Chemical communications (Cambridge, England)","2025","61","94","18705","18708","10.1039/d5cc05762k","","","0.71073","MoKα","","0.0794","0.0636","","","0.1271","0.1333","","","","","","1.137","","","","has coordinates,has disorder","303431","2025-11-26","22:13:33",""
"7135207","9.1002","0.0004","10.1731","0.0005","16.7783","0.0008","98.928","0.002","97.552","0.002","92.666","0.002","1517.6","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 Bi Fe O2 P W0.5 -","- C36 H28 Bi Fe O2 P W0.5 -","- C72 H56 Bi2 Fe2 O4 P2 W -","2","1","","Rezazgui, David; Schulz, Jiří; Štěpnička, Petr","Practical synthesis of ferrocenyldiarylstibines and bismuthines.","Chemical communications (Cambridge, England)","2025","61","94","18705","18708","10.1039/d5cc05762k","","","0.71073","MoKα","","0.0359","0.0358","","","0.0831","0.0832","","","","","","1.28","","","","has coordinates,has disorder","303431","2025-11-26","22:13:33",""
"7135208","9.7245","0.0007","15.1827","0.0009","22.7398","0.0012","90","","101.645","0.003","90","","3288.3","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 Bi Fe O4 P W -","- C38 H28 Bi Fe O4 P W -","- C152 H112 Bi4 Fe4 O16 P4 W4 -","4","1","","Rezazgui, David; Schulz, Jiří; Štěpnička, Petr","Practical synthesis of ferrocenyldiarylstibines and bismuthines.","Chemical communications (Cambridge, England)","2025","61","94","18705","18708","10.1039/d5cc05762k","","","1.54178","CuKα","","0.0529","0.0529","","","0.1479","0.1479","","","","","","1.106","","","","has coordinates,has disorder","303431","2025-11-26","22:13:34",""
"7135209","13.5485","0.0007","8.7852","0.0004","17.4796","0.0007","90","","106.904","0.002","90","","1990.64","0.16","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 Fe Sb -","- C24 H23 Fe Sb -","- C96 H92 Fe4 Sb4 -","4","1","","Rezazgui, David; Schulz, Jiří; Štěpnička, Petr","Practical synthesis of ferrocenyldiarylstibines and bismuthines.","Chemical communications (Cambridge, England)","2025","61","94","18705","18708","10.1039/d5cc05762k","","","0.71073","MoKα","","0.0701","0.068","","","0.1917","0.1929","","","","","","1.259","","","","has coordinates","303431","2025-11-26","22:13:34",""
"7135210","11.2444","0.0003","20.5216","0.0005","9.9176","0.0003","90","","103.895","0.001","90","","2221.55","0.11","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 F6 Fe Sb -","- C24 H17 F6 Fe Sb -","- C96 H68 F24 Fe4 Sb4 -","4","1","","Rezazgui, David; Schulz, Jiří; Štěpnička, Petr","Practical synthesis of ferrocenyldiarylstibines and bismuthines.","Chemical communications (Cambridge, England)","2025","61","94","18705","18708","10.1039/d5cc05762k","","","0.71073","MoKα","","0.0877","0.0717","","","0.1476","0.1543","","","","","","1.141","","","","has coordinates,has disorder","303431","2025-11-26","22:13:34",""
"7135211","11.2557","0.0005","11.3367","0.0005","13.0357","0.0006","101.126","0.002","96.212","0.002","110.747","0.002","1497.76","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H18 F10 Fe P Sb -","- C34 H18 F10 Fe P Sb -","- C68 H36 F20 Fe2 P2 Sb2 -","2","1","","Rezazgui, David; Schulz, Jiří; Štěpnička, Petr","Practical synthesis of ferrocenyldiarylstibines and bismuthines.","Chemical communications (Cambridge, England)","2025","61","94","18705","18708","10.1039/d5cc05762k","","","0.71073","MoKα","","0.0229","0.0215","","","0.0507","0.0514","","","","","","1.067","","","","has coordinates","303431","2025-11-26","22:13:34",""
"7135212","9.0076","0.0003","15.7671","0.0005","20.942","0.0007","90","","94.116","0.001","90","","2966.59","0.17","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H18 F10 Fe P Sb -","- C34 H18 F10 Fe P Sb -","- C136 H72 F40 Fe4 P4 Sb4 -","4","1","","Rezazgui, David; Schulz, Jiří; Štěpnička, Petr","Practical synthesis of ferrocenyldiarylstibines and bismuthines.","Chemical communications (Cambridge, England)","2025","61","94","18705","18708","10.1039/d5cc05762k","","","0.71073","MoKα","","0.0216","0.0202","","","0.0471","0.0477","","","","","","1.077","","","","has coordinates","303431","2025-11-26","22:13:35",""
"7135213","8.8411","0.0003","29.7793","0.0009","11.1614","0.0004","90","","101.634","0.001","90","","2878.22","0.17","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 B Bi Fe P -","- C34 H31 B Bi Fe P -","- C136 H124 B4 Bi4 Fe4 P4 -","4","1","","Rezazgui, David; Schulz, Jiří; Štěpnička, Petr","Practical synthesis of ferrocenyldiarylstibines and bismuthines.","Chemical communications (Cambridge, England)","2025","61","94","18705","18708","10.1039/d5cc05762k","","","0.71073","MoKα","","0.0336","0.0311","","","0.0625","0.0633","","","","","","1.18","","","","has coordinates","303431","2025-11-26","22:13:36",""
"7135214","9.1589","0.0009","16.358","0.003","19.491","0.004","90","","96.875","0.003","90","","2899.2","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 B Bi Fe P -","- C34 H31 B Bi Fe P -","- C136 H124 B4 Bi4 Fe4 P4 -","4","1","","Rezazgui, David; Schulz, Jiří; Štěpnička, Petr","Practical synthesis of ferrocenyldiarylstibines and bismuthines.","Chemical communications (Cambridge, England)","2025","61","94","18705","18708","10.1039/d5cc05762k","","","0.71073","MoKα","","0.0818","0.0419","","","0.0717","0.0823","","","","","","1.015","","","","has coordinates","303431","2025-11-26","22:13:36",""
"7135215","16.3885","0.0004","15.0042","0.0003","29.725","0.0007","90","","92.94","0.001","90","","7299.6","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H84 Bi Fe O4 P W -","- C38 H28 Bi Fe O4 P W -","- C304 H224 Bi8 Fe8 O32 P8 W8 -","8","2","","Rezazgui, David; Schulz, Jiří; Štěpnička, Petr","Practical synthesis of ferrocenyldiarylstibines and bismuthines.","Chemical communications (Cambridge, England)","2025","61","94","18705","18708","10.1039/d5cc05762k","","","0.71073","MoKα","","0.0654","0.0615","","","0.1358","0.137","","","","","","1.399","","","","has coordinates,has disorder","303431","2025-11-26","22:13:36",""
"7135216","8.1345","0.0001","10.4932","0.0002","20.272","0.0003","90","","95.961","0.001","90","","1721","0.05","500","","500","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C72 H88 O20 -","4","1","","Luo, Xue-Ling; Lv, Yu; Luo, Di-Jing; Qin, Lu-Lu; Li, Shu-Hui; Ye, Zhi-Peng; Xie, Zhen-Zhen; Xia, Peng-Ju","Photoinduced [3+2] cycloaddition <i>via</i> HFIP-promoted <i>in situ</i> formation of isobutylene from the Boc group.","Chemical communications (Cambridge, England)","2025","61","92","18180","18183","10.1039/d5cc05303j","","","1.54184","CuKα","","0.0503","0.0462","","","0.1299","0.1344","","","","","","1.08","","","","has coordinates","303432","2025-11-26","22:15:25",""
"7135217","13.68938","0.00011","17.62391","0.00015","8.08","0.00007","90","","92.3948","0.0008","90","","1947.68","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 F N2 -","- C27 H21 F N2 -","- C108 H84 F4 N8 -","4","1","","Liu, Xingwang; Xiao, Shunli; Huang, Hao; Bai, Lele; Lai, Wenze; Wu, Gaorong","Ru(II)-catalyzed stereoselective C(7)-H α-fluoroalkenylation of indolines.","Chemical communications (Cambridge, England)","2025","61","95","18850","18853","10.1039/d5cc05503b","","x-ray","1.54184","CuKα","","0.0344","0.0333","","","0.0841","0.0848","","","","","","1.027","","","","has coordinates","303433","2025-11-26","22:17:45",""
"7135218","13.9813","0.0009","15.2468","0.0006","15.1459","0.0008","90","","112.159","0.007","90","","2990.2","0.3","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H41 N6 -","- C31 H41 N6 -","- C124 H164 N24 -","4","1","","Shu, Ruifeng; Naota, Takeshi; Shiomi, Daisuke; Suzuki, Shuichi","Multistage control of near-infrared and magnetic properties <i>via</i> π-dimer modulation in TCNQ radical anion salts.","Chemical communications (Cambridge, England)","2025","61","87","17021","17024","10.1039/d5cc04915f","","","0.71075","MoKα","","0.135","0.0643","","","0.1739","0.2147","","","","","","1.043","","","","has coordinates","303434","2025-11-26","22:19:03",""
"7135219","11.0521","0.0002","13.746","0.0003","15.6376","0.0003","69.62","0.002","76.6492","0.0017","89.3974","0.0016","2160.43","0.08","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C44 H72 N5 -","- C44 H72 N5 -","- C88 H144 N10 -","2","1","","Shu, Ruifeng; Naota, Takeshi; Shiomi, Daisuke; Suzuki, Shuichi","Multistage control of near-infrared and magnetic properties <i>via</i> π-dimer modulation in TCNQ radical anion salts.","Chemical communications (Cambridge, England)","2025","61","87","17021","17024","10.1039/d5cc04915f","","","0.71073","MoKα","","0.0903","0.0513","","","0.1399","0.1686","","","","","","1.039","","","","has coordinates","303434","2025-11-26","22:19:04",""
"7135220","11.9464","0.0003","14.9849","0.0005","17.3068","0.0006","67.949","0.003","89.902","0.002","84.01","0.003","2853.52","0.17","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H44 N5 -","- C30 H44 N5 -","- C120 H176 N20 -","4","2","","Shu, Ruifeng; Naota, Takeshi; Shiomi, Daisuke; Suzuki, Shuichi","Multistage control of near-infrared and magnetic properties <i>via</i> π-dimer modulation in TCNQ radical anion salts.","Chemical communications (Cambridge, England)","2025","61","87","17021","17024","10.1039/d5cc04915f","","","0.71073","MoKα","","0.1363","0.0613","","","0.1536","0.1878","","","","","","1.051","","","","has coordinates","303434","2025-11-26","22:19:04",""
"7135221","18.4326","0.0005","18.4326","0.0005","19.6463","0.0012","90","","90","","120","","5780.8","0.4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H24 N6 Ni O3 -","- C33 H24 N6 Ni O3 -","- C198 H144 N36 Ni6 O18 -","6","0.333333","","Sheng, Daopeng; Zhai, Fuwan; Li, Baoyu; Guo, Chenglong; Hou, Minglei; Jin, Yusheng; Zhang, Yugang; Zhang, Mingxing; Shen, Nannan; Diwu, Juan; Li, Jie; Wang, Shuao","Correlation between coordination environments and sorption selectivity to <sup>99</sup>TcO<sub>4</sub><sup>-</sup> in two-dimensional metal-organic frameworks.","Chemical communications (Cambridge, England)","2025","61","82","16082","16085","10.1039/d5cc03326h","","","0.71073","MoKα","","0.1419","0.0833","","","0.243","0.2864","","","","","","0.981","","","","has coordinates","303435","2025-11-26","22:20:19",""
"7135222","18.959","0.003","18.959","0.003","20.322","0.005","90","","90","","120","","6326","2","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C66 H48 N12 Ni -","- C66 H48 N12 Ni -","- C198 H144 N36 Ni3 -","3","0.166667","","Sheng, Daopeng; Zhai, Fuwan; Li, Baoyu; Guo, Chenglong; Hou, Minglei; Jin, Yusheng; Zhang, Yugang; Zhang, Mingxing; Shen, Nannan; Diwu, Juan; Li, Jie; Wang, Shuao","Correlation between coordination environments and sorption selectivity to <sup>99</sup>TcO<sub>4</sub><sup>-</sup> in two-dimensional metal-organic frameworks.","Chemical communications (Cambridge, England)","2025","61","82","16082","16085","10.1039/d5cc03326h","","x-ray","0.71073","MoKα","","0.1663","0.0907","","","0.2448","0.3035","","","","","","0.877","","","","has coordinates","303435","2025-11-26","22:20:21",""
"7135223","18.7166","0.0007","18.7166","0.0007","23.4717","0.0015","90","","90","","120","","7120.8","0.6","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H48 N12 Ni O8 Re2 -","- C66 H48 N12 Ni O8.0016 Re2.0004 -","- C198 H144 N36 Ni3 O24.0048 Re6.0012 -","3","0.166667","","Sheng, Daopeng; Zhai, Fuwan; Li, Baoyu; Guo, Chenglong; Hou, Minglei; Jin, Yusheng; Zhang, Yugang; Zhang, Mingxing; Shen, Nannan; Diwu, Juan; Li, Jie; Wang, Shuao","Correlation between coordination environments and sorption selectivity to <sup>99</sup>TcO<sub>4</sub><sup>-</sup> in two-dimensional metal-organic frameworks.","Chemical communications (Cambridge, England)","2025","61","82","16082","16085","10.1039/d5cc03326h","","x-ray","0.71073","MoKα","","0.1615","0.1189","","","0.269","0.3025","","","","","","1.047","","","","has coordinates,has disorder","303435","2025-11-26","22:20:21",""
"7135224","18.651","0.004","18.651","0.004","23.358","0.007","90","","90","","120","","7037","3","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C64 H46 N14 Ni -","- C64.0002 H46.0002 N13.9998 Ni -","- C192.001 H138.001 N41.9994 Ni3 -","3","0.166667","","Sheng, Daopeng; Zhai, Fuwan; Li, Baoyu; Guo, Chenglong; Hou, Minglei; Jin, Yusheng; Zhang, Yugang; Zhang, Mingxing; Shen, Nannan; Diwu, Juan; Li, Jie; Wang, Shuao","Correlation between coordination environments and sorption selectivity to <sup>99</sup>TcO<sub>4</sub><sup>-</sup> in two-dimensional metal-organic frameworks.","Chemical communications (Cambridge, England)","2025","61","82","16082","16085","10.1039/d5cc03326h","","x-ray","0.71073","MoKα","","0.2255","0.1344","","","0.3416","0.3921","","","","","","1.091","","","","has coordinates","303435","2025-11-26","22:20:21",""
"7135225","9.0035","0.0009","7.6161","0.0007","16.2664","0.0016","90","","97.081","0.003","90","","1106.9","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cl2 N Sb -","- C8 H10 Cl2 N Sb -","- C32 H40 Cl8 N4 Sb4 -","4","1","","Benny, Annabel; Vijayan, Devika; Thayalan, Rajeshkumar; Maron, Laurent; Venugopal, Ajay","An aldehyde-stabilised alkoxyaluminium dication.","Chemical communications (Cambridge, England)","2025","61","82","16074","16077","10.1039/d5cc04034e","","","0.71073","MoKα","","0.0444","0.0368","","","0.1001","0.1047","","","","","","1.178","","","","has coordinates","303436","2025-11-26","22:21:11",""
"7135226","15.8741","0.0008","15.9964","0.0009","22.6","0.0012","84.126","0.002","82.511","0.002","63.971","0.002","5106.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H40 Al3 F81 O14 -","- C76 H40 Al3 F81 O14 -","- C152 H80 Al6 F162 O28 -","2","1","","Benny, Annabel; Vijayan, Devika; Thayalan, Rajeshkumar; Maron, Laurent; Venugopal, Ajay","An aldehyde-stabilised alkoxyaluminium dication.","Chemical communications (Cambridge, England)","2025","61","82","16074","16077","10.1039/d5cc04034e","","","0.71073","MoKα","","0.0946","0.063","","","0.161","0.1867","","","","","","1.018","","","","has coordinates,has disorder","303436","2025-11-26","22:21:12",""
"7135227","12.1261","0.0017","9.8525","0.0014","15.413","0.002","90","","92.231","0.003","90","","1840","0.4","240","","240","","","","","","","","","6","P 1 21 1","P 2yb","4","","3aa","","- C39 H31 Cl4 N3 O3 S -","- C39 H31 Cl4 N3 O3 S -","- C78 H62 Cl8 N6 O6 S2 -","2","1","","Li, Wenkai; Fu, Liling; Xu, Yongqiang; Zhou, Yuhan; Qu, Jingping; Wang, Baomin","Atroposelective synthesis of isoquinolinone bearing two distinct C−N axes via cobalt-catalyzed enantioselective C−H activation/annulation","Chemical Communications","2025","","","","","10.1039/D5CC05883J","","","0.71073","MoKα","","0.1212","0.0757","","","0.1946","0.2286","","","","","","1.025","","","","has coordinates,has disorder","303438","2025-11-26","22:56:59",""
"7135228","9.927","0.006","15.272","0.008","13.8","0.006","90","","100.295","0.013","90","","2058.5","1.9","143","","143","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4","","- C23 H21 N O4 S -","- C23 H21 N O4 S -","- C92 H84 N4 O16 S4 -","4","1","","Li, Wenkai; Fu, Liling; Xu, Yongqiang; Zhou, Yuhan; Qu, Jingping; Wang, Baomin","Atroposelective synthesis of isoquinolinone bearing two distinct C−N axes via cobalt-catalyzed enantioselective C−H activation/annulation","Chemical Communications","2025","","","","","10.1039/D5CC05883J","","","0.71073","MoKα","","0.0916","0.0531","","","0.1264","0.1513","","","","","","1.048","","","","has coordinates","303438","2025-11-26","22:57:03",""
"7135229","14.959","0.004","5.3671","0.0012","15.422","0.004","90","","108.397","0.01","90","","1174.9","0.5","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl N O2 -","- C12 H10 Cl N O2 -","- C48 H40 Cl4 N4 O8 -","4","1","","Parthasarathy, Thiyagaraj; Bhowmik, Aritra; Bhattacharya, Biswajit; Mishra, Manish Kumar; Ghosh, Soumyajit","Reversible Twisting-Induced Crystalline–Polycrystalline Transformation in Cyanoacrylate Crystals","Chemical Communications","2025","","","","","10.1039/D5CC05852J","","","0.71073","MoKα","","0.0674","0.0463","","","0.1166","0.1283","","","","","","1.102","","","","has coordinates","303439","2025-11-26","22:57:52",""
"7135230","14.959","0.004","5.3671","0.0012","15.422","0.004","90","","108.397","0.01","90","","1174.9","0.5","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl N O2 -","- C12 H10 Cl N O2 -","- C48 H40 Cl4 N4 O8 -","4","1","","Parthasarathy, Thiyagaraj; Bhowmik, Aritra; Bhattacharya, Biswajit; Mishra, Manish Kumar; Ghosh, Soumyajit","Reversible Twisting-Induced Crystalline–Polycrystalline Transformation in Cyanoacrylate Crystals","Chemical Communications","2025","","","","","10.1039/D5CC05852J","","","0.71073","MoKα","","0.0672","0.0446","","","0.1109","0.1243","","","","","","1.031","","","","has coordinates","303439","2025-11-26","22:57:53",""
"7135231","12.5542","0.0006","14.0614","0.0007","18.8278","0.001","90","","96.095","0.002","90","","3304.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 N4 O4 -","- C42 H32 N4 O4 -","- C168 H128 N16 O16 -","4","1","","Zhang, Yin-Fu; Zhang, Shuqi; Zhao, Yan; Xu, Jiying; Wang, Xiao-Qing; Han, Qiu-Xia; Zhang, Chuan-Bao; Zhao, Lili; Fu, Ji-Ya","Divergent synthesis of polycyclic (aza)fluorenes <i>via</i> condition-controlled tandem reaction of <i>ortho</i>-hydroxyphenyl-substituted indene-dienes.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05813a","","","1.54178","CuKα","","0.0766","0.0523","","","0.1402","0.1482","","","","","","1.082","","","","has coordinates","303440","2025-11-26","22:58:51",""
"7135232","14.0567","0.0008","12.8429","0.0007","19.1088","0.0009","90","","111.022","0.003","90","","3220.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hd_fjy33","","","- C42 H32 N4 O4 -","- C42 H32 N4 O4 -","- C168 H128 N16 O16 -","4","1","","Zhang, Yin-Fu; Zhang, Shuqi; Zhao, Yan; Xu, Jiying; Wang, Xiao-Qing; Han, Qiu-Xia; Zhang, Chuan-Bao; Zhao, Lili; Fu, Ji-Ya","Divergent synthesis of polycyclic (aza)fluorenes <i>via</i> condition-controlled tandem reaction of <i>ortho</i>-hydroxyphenyl-substituted indene-dienes.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05813a","","","1.54178","CuKα","","0.295","0.1828","","","0.4364","0.5537","","","","","","1.058","","","","has coordinates","303440","2025-11-26","22:58:51",""
"7135233","11.101","0.0003","10.5875","0.0003","26.8424","0.0007","90","","96.405","0.001","90","","3135.14","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 Cl2 N4 O -","- C39 H26 Cl2 N4 O -","- C156 H104 Cl8 N16 O4 -","4","1","","Zhang, Yin-Fu; Zhang, Shuqi; Zhao, Yan; Xu, Jiying; Wang, Xiao-Qing; Han, Qiu-Xia; Zhang, Chuan-Bao; Zhao, Lili; Fu, Ji-Ya","Divergent synthesis of polycyclic (aza)fluorenes <i>via</i> condition-controlled tandem reaction of <i>ortho</i>-hydroxyphenyl-substituted indene-dienes.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05813a","","","1.54178","CuKα","","0.0692","0.058","","","0.1644","0.1722","","","","","","1.066","","","","has coordinates","303440","2025-11-26","22:58:52",""
"7135234","10.268","0.0005","11.7261","0.0006","14.837","0.0007","104.156","0.002","106.691","0.002","100.305","0.002","1598.4","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H32 N4 O4 -","- C42 H32 N4 O4 -","- C84 H64 N8 O8 -","2","1","","Zhang, Yin-Fu; Zhang, Shuqi; Zhao, Yan; Xu, Jiying; Wang, Xiao-Qing; Han, Qiu-Xia; Zhang, Chuan-Bao; Zhao, Lili; Fu, Ji-Ya","Divergent synthesis of polycyclic (aza)fluorenes <i>via</i> condition-controlled tandem reaction of <i>ortho</i>-hydroxyphenyl-substituted indene-dienes.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05813a","","","1.54178","CuKα","","0.0524","0.0451","","","0.1172","0.1225","","","","","","1.027","","","","has coordinates","303440","2025-11-26","22:58:52",""
"7135235","12.1304","0.0004","10.3755","0.0004","25.2295","0.0009","90","","102.918","0.001","90","","3094.99","0.19","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C40 H32 N4 O3 -","- C40 H32 N4 O3 -","- C160 H128 N16 O12 -","4","1","","Zhang, Yin-Fu; Zhang, Shuqi; Zhao, Yan; Xu, Jiying; Wang, Xiao-Qing; Han, Qiu-Xia; Zhang, Chuan-Bao; Zhao, Lili; Fu, Ji-Ya","Divergent synthesis of polycyclic (aza)fluorenes <i>via</i> condition-controlled tandem reaction of <i>ortho</i>-hydroxyphenyl-substituted indene-dienes.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05813a","","","1.54178","CuKα","","0.1041","0.0824","","","0.1902","0.211","","","","","","1.077","","","","has coordinates","303440","2025-11-26","22:58:52",""
"7135236","14.0167","0.0006","23.1649","0.001","32.3543","0.0015","90","","90","","90","","10505.3","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H42 N4 O2 P2 -","- C62 H42 N4 O2 P2 -","- C496 H336 N32 O16 P16 -","8","1","","Zhang, Yin-Fu; Zhang, Shuqi; Zhao, Yan; Xu, Jiying; Wang, Xiao-Qing; Han, Qiu-Xia; Zhang, Chuan-Bao; Zhao, Lili; Fu, Ji-Ya","Divergent synthesis of polycyclic (aza)fluorenes <i>via</i> condition-controlled tandem reaction of <i>ortho</i>-hydroxyphenyl-substituted indene-dienes.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05813a","","","1.54178","CuKα","","0.0625","0.0591","","","0.1606","0.1634","","","","","","1.057","","","","has coordinates","303440","2025-11-26","22:58:52",""
"7135237","17.8141","0.0008","20.6055","0.0009","28.5357","0.0012","98.149","0.004","104.186","0.004","104.628","0.004","9591.7","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C460 H476 N40 O45 -","- C460 H476 N40 O45 -","- C460 H476 N40 O45 -","1","0.5","","Huang, Jiaming; Martínez-Belmonte, Marta; Ballester, Pablo","Reducing rotatable bonds in one substrate accelerates a bimolecular Diels-Alder reaction in a bis-calix[4]pyrrole cage.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05981j","","x-ray","0.71073","MoKα","","0.3433","0.1199","","","0.2831","0.3959","","","","","","0.966","","","","has coordinates,has disorder","303441","2025-11-26","22:59:30",""
"7135238","8.7902","0.0002","31.2988","0.0005","7.0352","0.0001","90","","110.298","0.002","90","","1815.35","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N O2 -","- C22 H20 N O2 -","- C88 H80 N4 O8 -","4","1","","Ghosh, Abhipsa; Panda, Asutosh; Mahulkar, Pranav Shridhar; Ravikumar, Ponneri C.","Cobalt(III)-catalysed annulation of indoles with phenylethynyl ether for the synthesis of the ABC ring system of ergot alkaloids.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05860k","","x-ray","1.54184","CuKα","","0.0814","0.0753","","","0.2299","0.2377","","","","","","1.049","","","","has coordinates","303442","2025-11-26","22:59:48",""
"7135239","10.9369","0.0001","13.6261","0.0002","16.2574","0.0002","98.636","0.001","93.497","0.001","109.826","0.001","2236.97","0.05","100","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C102 H124 N10 S2 Zn2 -","- C102 H124 N10 S2 Zn2 -","- C102 H124 N10 S2 Zn2 -","1","0.5","","Rajput, Sagrika; PADHAN, SMRUTIRANI; M T, Nithya; Mukhopadhyay, Sayantan; Nembenna, Sharanappa","Nickel-Catalyzed Dehydrogenative Zn–Zn Coupling to a Zn(I) Dimer and Its Reactivity","Chemical Communications","2025","","","","","10.1039/D5CC06233K","","","1.54184","CuKα","","0.062","0.061","","","0.1469","0.1477","","","","","","1.069","","","","has coordinates,has disorder","303456","2025-11-27","22:57:44",""
"7135240","16.7048","0.0009","14.9584","0.0007","17.0574","0.0009","90","","92.938","0.004","90","","4256.7","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H55 N5 S6 Zn -","- C42 H55 N5 S6 Zn -","- C168 H220 N20 S24 Zn4 -","4","1","","Rajput, Sagrika; PADHAN, SMRUTIRANI; M T, Nithya; Mukhopadhyay, Sayantan; Nembenna, Sharanappa","Nickel-Catalyzed Dehydrogenative Zn–Zn Coupling to a Zn(I) Dimer and Its Reactivity","Chemical Communications","2025","","","","","10.1039/D5CC06233K","","","0.71073","MoKα","","0.0614","0.041","","","0.0951","0.1056","","","","","","1.048","","","","has coordinates","303456","2025-11-27","22:57:51",""
"7135241","13.5911","0.0003","14.3769","0.0004","15.09","0.0003","100.512","0.002","92.232","0.002","96.334","0.002","2876.1","0.12","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C62 H81 N5 S Zn -","- C62 H81 N5 S Zn -","- C124 H162 N10 S2 Zn2 -","2","1","","Rajput, Sagrika; PADHAN, SMRUTIRANI; M T, Nithya; Mukhopadhyay, Sayantan; Nembenna, Sharanappa","Nickel-Catalyzed Dehydrogenative Zn–Zn Coupling to a Zn(I) Dimer and Its Reactivity","Chemical Communications","2025","","","","","10.1039/D5CC06233K","","","1.54184","CuKα","","0.0886","0.0861","","","0.2664","0.2699","","","","","","1.18","","","","has coordinates,has disorder","303456","2025-11-27","22:58:03",""
"7135242","12.0595","0.0004","12.8394","0.0004","15.0633","0.0005","106.138","0.003","108.774","0.003","91.802","0.003","2102.42","0.13","100.01","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C96 H122 N10 O2 Zn2 -","- C96 H122 N10 O2 Zn2 -","- C96 H122 N10 O2 Zn2 -","1","0.5","","Rajput, Sagrika; PADHAN, SMRUTIRANI; M T, Nithya; Mukhopadhyay, Sayantan; Nembenna, Sharanappa","Nickel-Catalyzed Dehydrogenative Zn–Zn Coupling to a Zn(I) Dimer and Its Reactivity","Chemical Communications","2025","","","","","10.1039/D5CC06233K","","","0.71073","MoKα","","0.0646","0.0529","","","0.1372","0.1466","","","","","","1.068","","","","has coordinates","303456","2025-11-27","22:58:13",""
"7135243","17.2703","0.0006","27.8793","0.0008","18.1885","0.0008","90","","92.174","0.003","90","","8751.2","0.6","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H59 N5 Te Zn -","- C48 H59 N5 Te Zn -","- C384 H472 N40 Te8 Zn8 -","8","2","","Rajput, Sagrika; PADHAN, SMRUTIRANI; M T, Nithya; Mukhopadhyay, Sayantan; Nembenna, Sharanappa","Nickel-Catalyzed Dehydrogenative Zn–Zn Coupling to a Zn(I) Dimer and Its Reactivity","Chemical Communications","2025","","","","","10.1039/D5CC06233K","","","0.71073","MoKα","","0.0693","0.0472","","","0.1114","0.1263","","","","","","1.017","","","","has coordinates,has disorder","303456","2025-11-27","22:58:19",""
"7135244","13.6388","0.0003","14.3737","0.0005","15.113","0.0004","99.88","0.003","92.266","0.002","96.26","0.002","2896.27","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C63 H83 N5 Se Zn -","- C63 H83 N5 Se Zn -","- C126 H166 N10 Se2 Zn2 -","2","1","","Rajput, Sagrika; PADHAN, SMRUTIRANI; M T, Nithya; Mukhopadhyay, Sayantan; Nembenna, Sharanappa","Nickel-Catalyzed Dehydrogenative Zn–Zn Coupling to a Zn(I) Dimer and Its Reactivity","Chemical Communications","2025","","","","","10.1039/D5CC06233K","","","0.71073","MoKα","","0.0704","0.0628","","","0.1541","0.1589","","","","","","1.114","","","","has coordinates,has disorder","303456","2025-11-27","22:58:32",""
"7135245","15.7525","0.0011","14.9627","0.0008","19.4718","0.0015","90","","112.101","0.009","90","","4252.3","0.6","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H118 N10 Se2 Zn2 -","- C96 H118 N10 Se2 Zn2 -","- C192 H236 N20 Se4 Zn4 -","2","0.5","","Rajput, Sagrika; PADHAN, SMRUTIRANI; M T, Nithya; Mukhopadhyay, Sayantan; Nembenna, Sharanappa","Nickel-Catalyzed Dehydrogenative Zn–Zn Coupling to a Zn(I) Dimer and Its Reactivity","Chemical Communications","2025","","","","","10.1039/D5CC06233K","","","0.71073","MoKα","","0.0961","0.0656","","","0.1359","0.1493","","","","","","1.051","","","","has coordinates","303456","2025-11-27","22:58:32",""
"7135246","11.9496","0.0003","13.6798","0.0003","15.5151","0.0003","113.349","0.002","103.698","0.002","94.74","0.002","2217.57","0.1","100","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C102 H124 N10 O2 Zn2 -","- C102 H124 N10 O2 Zn2 -","- C102 H124 N10 O2 Zn2 -","1","0.5","","Rajput, Sagrika; PADHAN, SMRUTIRANI; M T, Nithya; Mukhopadhyay, Sayantan; Nembenna, Sharanappa","Nickel-Catalyzed Dehydrogenative Zn–Zn Coupling to a Zn(I) Dimer and Its Reactivity","Chemical Communications","2025","","","","","10.1039/D5CC06233K","","","0.71073","MoKα","","0.0582","0.0518","","","0.1354","0.1395","","","","","","1.094","","","","has coordinates,has disorder","303456","2025-11-27","22:58:33",""
"7135247","12.3684","0.0003","12.4059","0.0003","21.7277","0.0004","91.49","0.002","90.601","0.002","111.293","0.002","3104.57","0.13","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C68 H87 N5 Te Zn -","- C68 H87 N5 Te Zn -","- C136 H174 N10 Te2 Zn2 -","2","1","","Rajput, Sagrika; PADHAN, SMRUTIRANI; M T, Nithya; Mukhopadhyay, Sayantan; Nembenna, Sharanappa","Nickel-Catalyzed Dehydrogenative Zn–Zn Coupling to a Zn(I) Dimer and Its Reactivity","Chemical Communications","2025","","","","","10.1039/D5CC06233K","","","0.71073","MoKα","","0.0602","0.0453","","","0.1122","0.1234","","","","","","1.094","","","","has coordinates,has disorder","303456","2025-11-27","22:58:33",""
"7135248","14.2336","0.0002","16.6267","0.0002","18.4779","0.0002","94.817","0.001","94.588","0.001","94.845","0.001","4325.19","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C126.1 H154.9 Cl6.9 Cu14 O37.2 P8 Si16 -","- C126.1 H154.9 Cl6.9 Cu14 O37.2 P8 Si16 -","- C126.1 H154.9 Cl6.9 Cu14 O37.2 P8 Si16 -","1","0.5","","Arteev, Ivan S.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Rodionov, Alexey N.; Shubina, Elena S.; Ragimov, Karim; Wang, Zhi; Bilyachenko, Alexey N.","High-nuclearity Cu<sub>14</sub> ionic complex featuring 1,3-bis(diphenylphosphino)propane and methylsilsesquioxane ligands: highly efficient catalysis of mild peroxidative alkane fuctionalizations.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc05805h","","","1.54184","CuKα","","0.0745","0.0635","","","0.1612","0.1733","","","","","","1.006","","","","has coordinates,has disorder","303457","2025-11-27","22:59:14",""
"7135249","10.8871","0.0007","11.7522","0.0007","16.8494","0.0009","75.091","0.005","80.271","0.005","71.666","0.006","1968.4","0.2","172.95","0.1","172.95","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C35 H57 Al Fe N2 P2 Si -","- C35 H57 Al Fe N2 P2 Si -","- C70 H114 Al2 Fe2 N4 P4 Si2 -","2","1","","Crimmin, Mark Richard; Stadler, Benedek","A Heterometallic σ-Silane Adduct from Cooperative Reactivity of an Iron–Aluminium Complex","Chemical Communications","2025","","","","","10.1039/D5CC06456B","","x-ray","1.54184","CuKα","","0.0669","0.0536","","","0.1442","0.1623","","","","","","1.064","","","","has coordinates,has disorder","303988","2025-12-01","22:59:28",""
"7135250","11.9256","0.0005","12.237","0.0004","18.8626","0.0008","85.197","0.003","81.93","0.004","61.139","0.004","2386.51","0.19","173","3","173","3","","","","","","","","7","P -1","-P 1","2","","","","- C43.25 H74 Al Fe N4 P2 Si -","- C43.25 H74 Al Fe N4 P2 Si -","- C86.5 H148 Al2 Fe2 N8 P4 Si2 -","2","1","","Crimmin, Mark Richard; Stadler, Benedek","A Heterometallic σ-Silane Adduct from Cooperative Reactivity of an Iron–Aluminium Complex","Chemical Communications","2025","","","","","10.1039/D5CC06456B","","x-ray","1.54184","CuKα","","0.0582","0.0428","","","0.0965","0.1087","","","","","","1.017","","","","has coordinates,has disorder","303988","2025-12-01","22:59:29",""
"7135251","12.7184","0.0003","17.9691","0.0003","17.6796","0.0004","90","","90.455","0.002","90","","4040.34","0.15","172.95","0.1","172.95","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H59 Al Fe N4 O P2 -","- C37 H59 Al Fe N4 O P2 -","- C148 H236 Al4 Fe4 N16 O4 P8 -","4","2","","Crimmin, Mark Richard; Stadler, Benedek","A Heterometallic σ-Silane Adduct from Cooperative Reactivity of an Iron–Aluminium Complex","Chemical Communications","2025","","","","","10.1039/D5CC06456B","","x-ray","0.71073","MoKα","","0.0494","0.0388","","","0.0896","0.0968","","","","","","1.041","","","","has coordinates","303988","2025-12-01","22:59:30",""
"7135252","15.2649","0.0001","14.4485","0.0001","17.2914","0.0001","90","","91.259","0.001","90","","3812.78","0.04","173","0.14","173","0.14","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H62 Al Fe N2 O P3 -","- C33 H62 Al Fe N2 O P3 -","- C132 H248 Al4 Fe4 N8 O4 P12 -","4","1","","Crimmin, Mark Richard; Stadler, Benedek","A Heterometallic σ-Silane Adduct from Cooperative Reactivity of an Iron–Aluminium Complex","Chemical Communications","2025","","","","","10.1039/D5CC06456B","","x-ray","1.54184","CuKα","","0.0373","0.0316","","","0.0807","0.0854","","","","","","1.039","","","","has coordinates","303988","2025-12-01","22:59:30",""
"7135253","17.6664","0.0002","11.4726","0.0001","22.7577","0.0002","90","","95.962","0.001","90","","4587.57","0.08","173","3","173","3","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H73 Al Fe N2 O P2 Si -","- C41.5 H73 Al Fe N2 O P2 Si -","- C166 H292 Al4 Fe4 N8 O4 P8 Si4 -","4","1","","Crimmin, Mark Richard; Stadler, Benedek","A Heterometallic σ-Silane Adduct from Cooperative Reactivity of an Iron–Aluminium Complex","Chemical Communications","2025","","","","","10.1039/D5CC06456B","","x-ray","1.54184","CuKα","","0.046","0.0363","","","0.0954","0.1009","","","","","","1.056","","","","has coordinates,has disorder","303988","2025-12-01","22:59:30",""
"7135254","14.59351","0.00006","10.0249","0.00006","35.96271","0.00015","90","","94.4545","0.0004","90","","5245.4","0.04","173.05","0.1","173.05","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H82 Al Fe N3 O P2 Si -","- C46 H70 Al Fe N3 O P2 Si -","- C184 H280 Al4 Fe4 N12 O4 P8 Si4 -","4","1","","Crimmin, Mark Richard; Stadler, Benedek","A Heterometallic σ-Silane Adduct from Cooperative Reactivity of an Iron–Aluminium Complex","Chemical Communications","2025","","","","","10.1039/D5CC06456B","","x-ray","1.54184","CuKα","","0.0327","0.0298","","","0.0803","0.0825","","","","","","1.052","","","","has coordinates","303988","2025-12-01","22:59:31",""
"7135255","17.6664","0.0002","11.4726","0.0001","22.7577","0.0002","90","","95.962","0.001","90","","4587.57","0.08","173","3","173","3","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H73 Al Fe N2 O P2 Si -","- C41.5 H73 Al Fe N2 O P2 Si -","- C166 H292 Al4 Fe4 N8 O4 P8 Si4 -","4","1","","Crimmin, Mark Richard; Stadler, Benedek","A Heterometallic σ-Silane Adduct from Cooperative Reactivity of an Iron–Aluminium Complex","Chemical Communications","2025","","","","","10.1039/D5CC06456B","","x-ray","1.54184","CuKα","","0.0378","0.0282","","","0.0652","0.0694","","","","","","1.0958","","","","has coordinates,has disorder","303988","2025-12-01","22:59:31",""
"7135256","10.931","0.003","9.974","0.003","19.421","0.005","90","","91.464","0.01","90","","2116.7","1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H32 Al N3 -","- C21 H32 Al N3 -","- C84 H128 Al4 N12 -","4","1","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","Intriguing Metal-Ligand Interplays Leading to Diverse Al-H-M (M = Mg, Ca) Heterobimetallic Hydrides on a Picolyl-Based 3N Ligand","Chemical Communications","2025","","","","","10.1039/D5CC05693D","","","0.71073","MoKα","","0.0934","0.056","","","0.1193","0.1401","","","","","","1.036","","","","has coordinates","303989","2025-12-01","23:00:58",""
"7135257","9.9558","0.0001","17.0612","0.0001","24.8384","0.0001","90","","100.093","0.001","90","","4153.71","0.05","100","0.1","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H68 Al Mg N5 Si4 -","- C33 H68 Al Mg N5 Si4 -","- C132 H272 Al4 Mg4 N20 Si16 -","4","1","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","Intriguing Metal-Ligand Interplays Leading to Diverse Al-H-M (M = Mg, Ca) Heterobimetallic Hydrides on a Picolyl-Based 3N Ligand","Chemical Communications","2025","","","","","10.1039/D5CC05693D","","","1.54184","CuKα","","0.0309","0.0285","","","0.0784","0.0801","","","","","","1.053","","","","has coordinates","303989","2025-12-01","23:01:00",""
"7135258","12.6499","0.0012","15.8975","0.0017","20.806","0.002","90","","90","","90","","4184.1","0.7","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H66 Al Ca N5 Si4 -","- C33 H66 Al Ca N5 Si4 -","- C132 H264 Al4 Ca4 N20 Si16 -","4","1","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","Intriguing Metal-Ligand Interplays Leading to Diverse Al-H-M (M = Mg, Ca) Heterobimetallic Hydrides on a Picolyl-Based 3N Ligand","Chemical Communications","2025","","","","","10.1039/D5CC05693D","","","0.71073","MoKα","","0.0526","0.0479","","","0.1083","0.114","","","","","","1.142","","","","has coordinates","303989","2025-12-01","23:01:01",""
"7135259","11.6207","0.0001","25.9517","0.0001","21.1162","0.0001","90","","100.348","0.001","90","","6264.58","0.07","100","0.1","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H96 Al2 Ca N8 Si4 -","- C54 H96 Al2 Ca N8 Si4 -","- C216 H384 Al8 Ca4 N32 Si16 -","4","1","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","Intriguing Metal-Ligand Interplays Leading to Diverse Al-H-M (M = Mg, Ca) Heterobimetallic Hydrides on a Picolyl-Based 3N Ligand","Chemical Communications","2025","","","","","10.1039/D5CC05693D","","","1.54184","CuKα","","0.0407","0.0373","","","0.1002","0.1025","","","","","","1.046","","","","has coordinates","303989","2025-12-01","23:01:01",""
"7135260","12.85853","0.00005","20.3422","0.00009","32.09584","0.00012","90","","90","","90","","8395.33","0.06","99.98","0.1","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H68 Al Mg N5 Si4 -","- C33 H68 Al Mg N5 Si4 -","- C264 H544 Al8 Mg8 N40 Si32 -","8","1","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","Intriguing Metal-Ligand Interplays Leading to Diverse Al-H-M (M = Mg, Ca) Heterobimetallic Hydrides on a Picolyl-Based 3N Ligand","Chemical Communications","2025","","","","","10.1039/D5CC05693D","","","1.54184","CuKα","","0.0442","0.0426","","","0.1121","0.1135","","","","","","1.031","","","","has coordinates,has disorder","303989","2025-12-01","23:01:02",""
"7135261","11.049","0.0001","19.6928","0.0003","23.4848","0.0003","90","","98.614","0.001","90","","5052.32","0.11","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40.3 H83.7 Al Ca N5 O Si4 -","- C37 H76 Al Ca N5 O Si4 -","- C148 H304 Al4 Ca4 N20 O4 Si16 -","4","1","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","Intriguing Metal-Ligand Interplays Leading to Diverse Al-H-M (M = Mg, Ca) Heterobimetallic Hydrides on a Picolyl-Based 3N Ligand","Chemical Communications","2025","","","","","10.1039/D5CC05693D","","","1.54184","CuKα","","0.0784","0.0674","","","0.1606","0.1679","","","","","","1.074","","","","has coordinates","303989","2025-12-01","23:01:03",""
"7135262","8.4802","0.0006","8.4836","0.0006","30.641","0.002","90","","90.366","0.006","90","","2204.3","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Br2 N O Se2 -","- C23 H19 Br2 N O Se2 -","- C92 H76 Br8 N4 O4 Se8 -","4","1","","Kar, Malobika; Sharma, Nagendra K.","Ag(I)-Mediated Mono-selective C(sp2)─H Chalcogenation of α-Aminotropones and Their Peptides at Room Temperature","Chemical Communications","2025","","","","","10.1039/D5CC05556C","","x-ray","0.71073","MoKα","","0.0542","0.0393","","","0.0868","0.0922","","","","","","1.029","","","","has coordinates","303990","2025-12-01","23:02:07",""
"7135263","7.9325","0.0006","19.3831","0.0015","10.3168","0.0008","90","","100.504","0.008","90","","1559.7","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br N O Se -","- C17 H16 Br N O Se -","- C68 H64 Br4 N4 O4 Se4 -","4","1","","Kar, Malobika; Sharma, Nagendra K.","Ag(I)-Mediated Mono-selective C(sp2)─H Chalcogenation of α-Aminotropones and Their Peptides at Room Temperature","Chemical Communications","2025","","","","","10.1039/D5CC05556C","","x-ray","0.71073","MoKα","","0.0644","0.0419","","","0.0798","0.0854","","","","","","1.031","","","","has coordinates","303990","2025-12-01","23:02:14",""
"7135264","8.0318","0.0001","19.4472","0.0004","10.3438","0.0002","90","","101.538","0.002","90","","1583.01","0.05","298.26","0.13","298.26","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","MK-206","","- C17 H16 Br N O S -","- C17 H16 Br N O S -","- C68 H64 Br4 N4 O4 S4 -","4","1","","Kar, Malobika; Sharma, Nagendra K.","Ag(I)-Mediated Mono-selective C(sp2)─H Chalcogenation of α-Aminotropones and Their Peptides at Room Temperature","Chemical Communications","2025","","","","","10.1039/D5CC05556C","","x-ray","1.54184","CuKα","","0.0557","0.0528","","","0.1392","0.146","","","","","","0.7375","","","","has coordinates","303990","2025-12-01","23:02:16",""
"7135265","7.929","0.0006","9.6466","0.0007","10.3599","0.0007","76.164","0.006","68.361","0.006","71.046","0.007","690.17","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C3.4 H3.4 N0.2 O0.2 S0.2 -","- C3.4 H3.4 N0.2 O0.2 S0.2 -","- C34 H34 N2 O2 S2 -","10","5","","Kar, Malobika; Sharma, Nagendra K.","Ag(I)-Mediated Mono-selective C(sp2)─H Chalcogenation of α-Aminotropones and Their Peptides at Room Temperature","Chemical Communications","2025","","","","","10.1039/D5CC05556C","","x-ray","0.71073","MoKα","","0.057","0.0425","","","0.096","0.1048","","","","","","1.044","","","","has coordinates","303990","2025-12-01","23:02:16",""
"7135266","15.391","","15.391","","8.068","","90","","90","","90","","1911.17","","222","","222","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C4 H1.5 Cu0.12 F0.75 N Si0.12 -","- C4 H1.5 Cu0.125 F0.75 N Si0.125 -","- C64 H24 Cu2 F12 N16 Si2 -","16","0.5","","Huang, Yun-Tao; Song, Zi-Meng; Zhao, Xin-Ye; Li, Bei-Bei; Di, Zhengyi; Li, Cheng-Peng","A stable amino-functionalized fluorinated metal-organic framework for efficient separation of propyne/propylene","Chemical Communications","2025","","","","","10.1039/D5CC05733G","","","0.71073","MoKα","","0.0665","0.0644","","","0.1868","0.1888","","","","","","1.153","","","","has coordinates,has disorder","303991","2025-12-01","23:02:50",""
"7135267","21.5241","0.0006","26.661","0.0004","42.4881","0.0014","90","","100.448","0.003","90","","23977.7","1.1","180","0.11","180","0.11","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C114 H75 N3 O6 -","- C114 H75 N3 O6 -","- C912 H600 N24 O48 -","8","1","","Liu, Chenrui; Peng, Lingya; Chen, Yumeng; An, Jingyi; Li, Zhaoxin; Huang, Wenshuang; Cui, Ganglong; Hu, Shaowei","Catalytic Dinitrogen Silylation by Tris(pyrazolyl)borate-Supported Titanium Complexes","Chemical Communications","2025","","","","","10.1039/D5CC04879F","","x-ray","0.71073","MoKα","","0.1393","0.079","","","0.1946","0.222","","","","","","1.047","","","","has coordinates","303998","2025-12-02","22:57:41",""
"7135268","14.9943","0.0001","14.9943","0.0001","29.2","0.0004","90","","90","","90","","6565.01","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C46 H78 B2 N14 O4 Ti2 -","- C46 H78 B2 N14 O4 Ti2 -","- C184 H312 B8 N56 O16 Ti8 -","4","0.5","","Liu, Chenrui; Peng, Lingya; Chen, Yumeng; An, Jingyi; Li, Zhaoxin; Huang, Wenshuang; Cui, Ganglong; Hu, Shaowei","Catalytic Dinitrogen Silylation by Tris(pyrazolyl)borate-Supported Titanium Complexes","Chemical Communications","2025","","","","","10.1039/D5CC04879F","","x-ray","1.54184","CuKα","","0.0442","0.0419","","","0.1025","0.1041","","","","","","1.031","","","","has coordinates","303998","2025-12-02","22:57:44",""
"7135269","11.9183","0.0005","12.1325","0.0004","14.2731","0.0006","79.695","0.003","71.091","0.004","65.428","0.004","1773.34","0.14","122","20","122","20","","","","","","","","7","P -1","-P 1","2","","","","- C29 H49 B N7 O Si2 Ti -","- C29 H49 B N7 O Si2 Ti -","- C58 H98 B2 N14 O2 Si4 Ti2 -","2","1","","Liu, Chenrui; Peng, Lingya; Chen, Yumeng; An, Jingyi; Li, Zhaoxin; Huang, Wenshuang; Cui, Ganglong; Hu, Shaowei","Catalytic Dinitrogen Silylation by Tris(pyrazolyl)borate-Supported Titanium Complexes","Chemical Communications","2025","","","","","10.1039/D5CC04879F","","x-ray","1.54184","CuKα","","0.0412","0.0387","","","0.1077","0.1095","","","","","","1.071","","","","has coordinates","303998","2025-12-02","22:57:44",""
"7135270","10.5793","0.0001","15.3351","0.0002","18.0389","0.0002","90","","94.362","0.001","90","","2918.06","0.06","100.1","0.5","100.1","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 B Cl N6 O2 Ti -","- C27 H39 B Cl N6 O2 Ti -","- C108 H156 B4 Cl4 N24 O8 Ti4 -","4","1","","Liu, Chenrui; Peng, Lingya; Chen, Yumeng; An, Jingyi; Li, Zhaoxin; Huang, Wenshuang; Cui, Ganglong; Hu, Shaowei","Catalytic Dinitrogen Silylation by Tris(pyrazolyl)borate-Supported Titanium Complexes","Chemical Communications","2025","","","","","10.1039/D5CC04879F","","x-ray","1.54184","CuKα","","0.0484","0.0454","","","0.1189","0.1211","","","","","","1.031","","","","has coordinates","303998","2025-12-02","22:57:46",""
"7135271","10.8294","0.0002","15.1747","0.0002","20.4317","0.0003","90","","94.178","0.001","90","","3348.68","0.09","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H47 B Cl N6 O2 Ti -","- C31 H47 B Cl N6 O2 Ti -","- C124 H188 B4 Cl4 N24 O8 Ti4 -","4","1","","Liu, Chenrui; Peng, Lingya; Chen, Yumeng; An, Jingyi; Li, Zhaoxin; Huang, Wenshuang; Cui, Ganglong; Hu, Shaowei","Catalytic Dinitrogen Silylation by Tris(pyrazolyl)borate-Supported Titanium Complexes","Chemical Communications","2025","","","","","10.1039/D5CC04879F","","x-ray","1.54184","CuKα","","0.0521","0.0454","","","0.1184","0.1223","","","","","","1.045","","","","has coordinates","303998","2025-12-02","22:57:49",""
"7135272","22.5766","0.0002","14.9516","0.0001","23.4386","0.0002","90","","105.686","0.001","90","","7617.19","0.11","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H94 B2 N14 O4 Ti2 -","- C62 H94 B2 N14 O4 Ti2 -","- C248 H376 B8 N56 O16 Ti8 -","4","1","","Liu, Chenrui; Peng, Lingya; Chen, Yumeng; An, Jingyi; Li, Zhaoxin; Huang, Wenshuang; Cui, Ganglong; Hu, Shaowei","Catalytic Dinitrogen Silylation by Tris(pyrazolyl)borate-Supported Titanium Complexes","Chemical Communications","2025","","","","","10.1039/D5CC04879F","","x-ray","1.54184","CuKα","","0.0754","0.0712","","","0.1957","0.2001","","","","","","1.077","","","","has coordinates","303998","2025-12-02","22:57:50",""
"7135273","15.2132","0.0002","17.9147","0.0003","26.801","0.0005","90","","91.589","0.002","90","","7301.5","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H86 B2 N14 O2 Ti2 -","- C58 H86 B2 N14 O2 Ti2 -","- C232 H344 B8 N56 O8 Ti8 -","4","1","","Liu, Chenrui; Peng, Lingya; Chen, Yumeng; An, Jingyi; Li, Zhaoxin; Huang, Wenshuang; Cui, Ganglong; Hu, Shaowei","Catalytic Dinitrogen Silylation by Tris(pyrazolyl)borate-Supported Titanium Complexes","Chemical Communications","2025","","","","","10.1039/D5CC04879F","","x-ray","1.54184","CuKα","","0.0756","0.0549","","","0.1269","0.1381","","","","","","1.091","","","","has coordinates","303998","2025-12-02","22:58:01",""
"7135274","8.7343","0.0001","21.1361","0.0002","16.4149","0.0001","90","","91.354","0.001","90","","3029.49","0.05","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 B Cl N6 O Ti -","- C29 H43 B Cl N6 O Ti -","- C116 H172 B4 Cl4 N24 O4 Ti4 -","4","1","","Liu, Chenrui; Peng, Lingya; Chen, Yumeng; An, Jingyi; Li, Zhaoxin; Huang, Wenshuang; Cui, Ganglong; Hu, Shaowei","Catalytic Dinitrogen Silylation by Tris(pyrazolyl)borate-Supported Titanium Complexes","Chemical Communications","2025","","","","","10.1039/D5CC04879F","","x-ray","1.54184","CuKα","","0.0361","0.0338","","","0.0864","0.0874","","","","","","1.034","","","","has coordinates","303998","2025-12-02","22:58:01",""
"7135275","11.3501","0.0002","11.8716","0.0002","13.3789","0.0002","85.07","0.001","72.758","0.002","80.766","0.002","1697.99","0.05","100.01","0.11","100.01","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C30 H48 B N7 O2 Si Ti -","- C30 H48 B N7 O2 Si Ti -","- C60 H96 B2 N14 O4 Si2 Ti2 -","2","1","","Liu, Chenrui; Peng, Lingya; Chen, Yumeng; An, Jingyi; Li, Zhaoxin; Huang, Wenshuang; Cui, Ganglong; Hu, Shaowei","Catalytic Dinitrogen Silylation by Tris(pyrazolyl)borate-Supported Titanium Complexes","Chemical Communications","2025","","","","","10.1039/D5CC04879F","","x-ray","1.54184","CuKα","","0.0564","0.0515","","","0.1392","0.1423","","","","","","1.098","","","","has coordinates","303998","2025-12-02","22:58:02",""
"7135276","10.9341","0.0001","15.8235","0.0003","32.5097","0.0005","90","","95.991","0.001","90","","5593.97","0.15","156","50","156","50","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 B2 I2 N14 O2 Ti2 -","- C38 H60 B2 I2 N14 O2 Ti2 -","- C152 H240 B8 I8 N56 O8 Ti8 -","4","1","","Liu, Chenrui; Peng, Lingya; Chen, Yumeng; An, Jingyi; Li, Zhaoxin; Huang, Wenshuang; Cui, Ganglong; Hu, Shaowei","Catalytic Dinitrogen Silylation by Tris(pyrazolyl)borate-Supported Titanium Complexes","Chemical Communications","2025","","","","","10.1039/D5CC04879F","","x-ray","1.54184","CuKα","","0.0704","0.0539","","","0.1529","0.1637","","","","","","1.068","","","","has coordinates","303998","2025-12-02","22:58:02",""
"7135277","14.5243","0.0003","15.2715","0.0003","20.314","0.0003","102.862","0.0015","110.431","0.0018","101.972","0.0018","3910.78","0.15","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H78 B2 N14 O4 Ti2 -","- C54 H78 B2 N14 O4 Ti2 -","- C108 H156 B4 N28 O8 Ti4 -","2","1","","Liu, Chenrui; Peng, Lingya; Chen, Yumeng; An, Jingyi; Li, Zhaoxin; Huang, Wenshuang; Cui, Ganglong; Hu, Shaowei","Catalytic Dinitrogen Silylation by Tris(pyrazolyl)borate-Supported Titanium Complexes","Chemical Communications","2025","","","","","10.1039/D5CC04879F","","x-ray","1.54184","CuKα","","0.0566","0.0522","","","0.1388","0.1423","","","","","","1.058","","","","has coordinates","303998","2025-12-02","22:58:03",""
"7135278","33.1133","0.001","45.6826","0.0014","41.2995","0.0012","90","","92.8019","0.0017","90","","62399","3","90","","90","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","(C20H18N4)5Pd5(C126H204O48)(CF3SO3)10(H2O)12.5","","","- C236 H317 F30 N20 O89.5 Pd5 S10 -","- C236 H294 F30 N20 O89.5 Pd5 S10 -","- C1888 H2352 F240 N160 O716 Pd40 S80 -","8","2","","Sakata, Yoko; Nakamura, Ryosuke; Saito, Takuho; Ogoshi, Tomoki; Tashiro, Shohei; Akine, Shigehisa","Size-selective formation of metallonanobelts <i>via</i> tethering-template-directed self-assembly.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc04986e","","","1.54178","CuKα","","0.3901","0.1751","","","0.3533","0.4434","","","","","","1.51","","","","has coordinates,has disorder","303999","2025-12-02","23:00:27",""
"7135281","5.5367","0.0003","7.7309","0.0004","29.9149","0.0015","90","","90","","90","","1280.47","0.12","295","2","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","","Pal, Anit; Borah, Asish; Das, Animesh","Chromium-catalyzed reductive alkylation of N heteroarenes using alkyl formates as transfer hydroalkylation reagents","Chemical Communications","2025","","","","","10.1039/D5CC06076A","","","0.71073","MoKα","","0.1046","0.0834","","","0.1708","0.1829","","","","","","1.143","","","","has coordinates","304001","2025-12-02","23:02:12",""
"7135282","8.1945","0.0009","21.1","0.002","11.376","0.0013","90","","107.258","0.003","90","","1878.4","0.3","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N -","- C24 H21 N -","- C96 H84 N4 -","4","1","","Pal, Anit; Borah, Asish; Das, Animesh","Chromium-catalyzed reductive alkylation of N heteroarenes using alkyl formates as transfer hydroalkylation reagents","Chemical Communications","2025","","","","","10.1039/D5CC06076A","","","0.71073","MoKα","","0.108","0.0711","","","0.1469","0.17","","","","","","1.131","","","","has coordinates","304001","2025-12-02","23:02:13",""
"7135283","8.355","0.003","16.065","0.005","11.289","0.003","90","","108.475","0.007","90","","1437.2","0.8","298","2","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N -","- C18 H21 N -","- C72 H84 N4 -","4","1","","Pal, Anit; Borah, Asish; Das, Animesh","Chromium-catalyzed reductive alkylation of N heteroarenes using alkyl formates as transfer hydroalkylation reagents","Chemical Communications","2025","","","","","10.1039/D5CC06076A","","","0.71073","MoKα","","0.1157","0.0881","","","0.1409","0.1568","","","","","","1.1043","","","","has coordinates","304001","2025-12-02","23:02:13",""
"7135287","10.7163","0.0019","14.799","0.003","21.254","0.004","90","","90","","90","","3370.7","1.1","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H45 Fe N O2 Sn -","- C37 H45 Fe N O2 Sn -","- C148 H180 Fe4 N4 O8 Sn4 -","4","1","","Cao, Phuong Anh; Phung, Alice C.; Schwirzke, Ella L.; Fettinger, James C.; Rusmore, Theo A. H.; Mears, Kristian L.; Vasko, Petra; Power, Philip P.","Ammonia reactivity with ferriotetrylenes: a structural snapshot of a highly dynamic process.","Chemical communications (Cambridge, England)","2025","61","96","19092","19095","10.1039/d5cc04597e","","","0.71073","MoKα","","0.0952","0.0537","","","0.0889","0.1042","","","","","","1.009","","","","has coordinates","304028","2025-12-04","08:22:41",""
"7135288","8.3897","0.0004","18.0566","0.0008","21.6854","0.0009","90","","90","","90","","3285.1","0.3","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 Fe O2 Pb -","- C37 H42 Fe O2 Pb -","- C148 H168 Fe4 O8 Pb4 -","4","1","","Cao, Phuong Anh; Phung, Alice C.; Schwirzke, Ella L.; Fettinger, James C.; Rusmore, Theo A. H.; Mears, Kristian L.; Vasko, Petra; Power, Philip P.","Ammonia reactivity with ferriotetrylenes: a structural snapshot of a highly dynamic process.","Chemical communications (Cambridge, England)","2025","61","96","19092","19095","10.1039/d5cc04597e","","","0.71073","MoKα","","0.0392","0.0335","","","0.0738","0.0753","","","","","","1.068","","","","has coordinates,has disorder","304029","2025-12-04","08:24:58",""
"7135294","7.3825","0.0002","10.0528","0.0002","20.4633","0.0007","100.577","0.002","90.989","0.003","99.932","0.002","1468.62","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H36 Cl3 N O4 -","- C31 H36 Cl3 N O4 -","- C62 H72 Cl6 N2 O8 -","2","1","","Shoji, Taku; Ariga, Yukino; Ito, Daichi; Ito, Fuyuki; Hamasaki, Atom; Mori, Shigeki; Okujima, Tetsuo; Sekiguchi, Ryuta; Ito, Shunji","Azulenes exhibiting solid-state fluorescence: synthesis and photophysics of 2-aryl-6-pyrrolidinylazulenes.","Chemical communications (Cambridge, England)","2025","61","98","19481","19484","10.1039/d5cc05926g","","x-ray","0.71073","MoKα","","0.0841","0.0565","","","0.123","0.1346","","","","","","1.03","","","","has coordinates","304033","2025-12-04","23:00:44",""
"7135295","10.1653","0.0004","11.261","0.0006","13.4588","0.0006","76.983","0.004","77.769","0.004","87.169","0.004","1466.98","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cl3 N O5 -","- C33 H30 Cl3 N O5 -","- C66 H60 Cl6 N2 O10 -","2","1","","Shoji, Taku; Ariga, Yukino; Ito, Daichi; Ito, Fuyuki; Hamasaki, Atom; Mori, Shigeki; Okujima, Tetsuo; Sekiguchi, Ryuta; Ito, Shunji","Azulenes exhibiting solid-state fluorescence: synthesis and photophysics of 2-aryl-6-pyrrolidinylazulenes.","Chemical communications (Cambridge, England)","2025","61","98","19481","19484","10.1039/d5cc05926g","","x-ray","0.71073","MoKα","","0.0609","0.0452","","","0.1022","0.1099","","","","","","1.054","","","","has coordinates,has disorder","304033","2025-12-04","23:00:47",""
"7135296","7.4109","0.0003","9.9848","0.0006","18.796","0.0009","96.494","0.004","99.614","0.004","104.201","0.004","1312.01","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 Cl3 N2 O6 -","- C27 H27 Cl3 N2 O6 -","- C54 H54 Cl6 N4 O12 -","2","1","","Shoji, Taku; Ariga, Yukino; Ito, Daichi; Ito, Fuyuki; Hamasaki, Atom; Mori, Shigeki; Okujima, Tetsuo; Sekiguchi, Ryuta; Ito, Shunji","Azulenes exhibiting solid-state fluorescence: synthesis and photophysics of 2-aryl-6-pyrrolidinylazulenes.","Chemical communications (Cambridge, England)","2025","61","98","19481","19484","10.1039/d5cc05926g","","x-ray","0.71073","MoKα","","0.0884","0.0581","","","0.1214","0.1378","","","","","","1.085","","","","has coordinates","304033","2025-12-04","23:00:49",""
"7135297","9.4521","0.0004","14.7452","0.0006","14.7989","0.0005","101.038","0.003","95.116","0.003","97.429","0.003","1993.62","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26.25 H21.25 Cl0.75 N S -","- C26.25 H21.25 Cl0.75 N S -","- C105 H85 Cl3 N4 S4 -","4","2","","Shoji, Taku; Ariga, Yukino; Ito, Daichi; Ito, Fuyuki; Hamasaki, Atom; Mori, Shigeki; Okujima, Tetsuo; Sekiguchi, Ryuta; Ito, Shunji","Azulenes exhibiting solid-state fluorescence: synthesis and photophysics of 2-aryl-6-pyrrolidinylazulenes.","Chemical communications (Cambridge, England)","2025","61","98","19481","19484","10.1039/d5cc05926g","","x-ray","0.71073","MoKα","","0.0942","0.06","","","0.1223","0.1383","","","","","","1.031","","","","has coordinates,has disorder","304033","2025-12-04","23:00:51",""
"7135298","7.6653","0.0003","32.012","0.0011","9.0652","0.0004","90","","99.477","0.004","90","","2194.07","0.15","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N O5 -","- C27 H29 N O5 -","- C108 H116 N4 O20 -","4","1","","Shoji, Taku; Ariga, Yukino; Ito, Daichi; Ito, Fuyuki; Hamasaki, Atom; Mori, Shigeki; Okujima, Tetsuo; Sekiguchi, Ryuta; Ito, Shunji","Azulenes exhibiting solid-state fluorescence: synthesis and photophysics of 2-aryl-6-pyrrolidinylazulenes.","Chemical communications (Cambridge, England)","2025","61","98","19481","19484","10.1039/d5cc05926g","","x-ray","0.71073","MoKα","","0.1008","0.0609","","","0.1107","0.1233","","","","","","1.042","","","","has coordinates","304033","2025-12-04","23:00:51",""
"7135299","10.2097","0.0004","12.1202","0.0004","21.9452","0.0008","90","","100.603","0.004","90","","2669.21","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H29.34 N O4.17 S -","- C32 H29.342 N O4.171 S -","- C128 H117.368 N4 O16.684 S4 -","4","1","","Shoji, Taku; Ariga, Yukino; Ito, Daichi; Ito, Fuyuki; Hamasaki, Atom; Mori, Shigeki; Okujima, Tetsuo; Sekiguchi, Ryuta; Ito, Shunji","Azulenes exhibiting solid-state fluorescence: synthesis and photophysics of 2-aryl-6-pyrrolidinylazulenes.","Chemical communications (Cambridge, England)","2025","61","98","19481","19484","10.1039/d5cc05926g","","x-ray","0.71073","MoKα","","0.1011","0.0654","","","0.1411","0.1583","","","","","","1.052","","","","has coordinates,has disorder","304033","2025-12-04","23:00:52",""
"7135304","21.1776","0.0011","18.2359","0.001","36.0813","0.0019","90","","91.179","0.002","90","","13931.4","1.3","101","","101","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75.87 H107.61 La S2 -","- C75.87 H107.61 La S2 -","- C606.96 H860.88 La8 S16 -","8","1","","Stennett, Cary R.; Luevano, Makayla R.; Ziller, Joseph W.; Evans, William J.","<i>In crystallo</i> homolytic cleavage of a terminal lanthanum(III)-methyl bond by Cu Kα X-radiation forms a La(II) complex.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc04945h","","","1.54178","CuKα","","0.0448","0.0444","","","0.1064","0.1066","","","","","","1.178","","","","has coordinates,has disorder","304061","2025-12-05","22:58:01",""
"7135305","21.1136","0.0007","18.2758","0.0006","36.158","0.0013","90","","91.79","0.002","90","","13945.4","0.8","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75.63 H106.89 La S2 -","- C75.63 H106.89 La S2 -","- C605.04 H855.12 La8 S16 -","8","1","","Stennett, Cary R.; Luevano, Makayla R.; Ziller, Joseph W.; Evans, William J.","<i>In crystallo</i> homolytic cleavage of a terminal lanthanum(III)-methyl bond by Cu Kα X-radiation forms a La(II) complex.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc04945h","","","1.54178","CuKα","","0.0605","0.0592","","","0.1383","0.1389","","","","","","1.225","","","","has coordinates,has disorder","304061","2025-12-05","22:58:04",""
"7135306","21.0895","0.0008","18.2926","0.0006","36.1914","0.0016","90","","92.017","0.002","90","","13953.3","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75.53 H106.59 La S2 -","- C75.53 H106.59 La S2 -","- C604.24 H852.72 La8 S16 -","8","1","","Stennett, Cary R.; Luevano, Makayla R.; Ziller, Joseph W.; Evans, William J.","<i>In crystallo</i> homolytic cleavage of a terminal lanthanum(III)-methyl bond by Cu Kα X-radiation forms a La(II) complex.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc04945h","","","1.54178","CuKα","","0.072","0.0699","","","0.1628","0.1637","","","","","","1.201","","","","has coordinates,has disorder","304061","2025-12-05","22:58:04",""
"7135307","21.1388","0.0008","18.2563","0.0006","36.118","0.0013","90","","91.482","0.002","90","","13933.9","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75.73 H107.19 La S2 -","- C75.73 H107.19 La S2 -","- C605.84 H857.52 La8 S16 -","8","1","","Stennett, Cary R.; Luevano, Makayla R.; Ziller, Joseph W.; Evans, William J.","<i>In crystallo</i> homolytic cleavage of a terminal lanthanum(III)-methyl bond by Cu Kα X-radiation forms a La(II) complex.","Chemical communications (Cambridge, England)","2025","","","","","10.1039/d5cc04945h","","","1.54178","CuKα","","0.0529","0.0524","","","0.1284","0.1286","","","","","","1.197","","","","has coordinates,has disorder","304061","2025-12-05","22:58:04",""
"7160203","9.5849","0.0005","17.057","0.0007","26.146","0.0017","90","","90","","90","","4274.6","0.4","293","2","293","2","","","","","","","synthesized","3","P 21 21 21","P 2ac 2ab","19","","","","- C58 H44 N4 -","- C58 H44 N4 -","- C232 H176 N16 -","4","1","","Wani, Aabid A.; Bhujbal, Shivkanya Madhavrao; Sherpa, Deekey; Kathuria, Deepika; Chourasiya, Sumit S.; Sahoo, Subash C.; Bharatam, Prasad V.","An NNN Pd(II) pincer complex with 1,1-diaminoazine: a versatile catalyst for acceptorless dehydrogenative coupling reactions.","Organic & biomolecular chemistry","2025","23","2","343","351","10.1039/d4ob01576b","","x-ray","0.71073","MoKα","","0.1614","0.0631","","","0.1341","0.1779","","","","","","0.916","","","","has coordinates","299098","2025-04-05","04:04:33",""
"7160204","11.4075","0.0001","12.0938","0.0001","13.1116","0.0001","81.557","0.001","67.569","0.001","73.629","0.001","1602.65","0.03","300.57","0.1","300.57","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H23 Cl3 N2 O7 -","- C34 H23 Cl3 N2 O7 -","- C68 H46 Cl6 N4 O14 -","2","1","","Zhang, Chao; Dong, Lin","Iridium-catalyzed tandem olefination/aza-Michael reaction: rapid access to N-N functionalized hydrazides.","Organic & biomolecular chemistry","2025","23","3","673","678","10.1039/d4ob01631a","","x-ray","1.54184","CuKα","","0.0544","0.0515","","","0.1424","0.145","","","","","","1.106","","","","has coordinates","299143","2025-04-05","04:13:27",""
"7160207","11.568","0.003","7.6379","0.0019","30.481","0.007","90","","90","","90","","2693.2","1.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","1","","He, Kun; Zeng, Weikun; Yu, Xianglin; Zhou, Jun; Jin, Yi","Direct synthesis of enone-hydrazones under solvent free and additive free conditions.","Organic & biomolecular chemistry","2025","23","2","377","382","10.1039/d4ob01578a","","","0.71073","MoKα","","0.0911","0.0548","","","0.1584","0.1834","","","","","","1.043","","","","has coordinates","299094","2025-04-05","04:03:42",""
"7160208","14.55","0.019","6.415","0.009","21.4","0.03","90","","100.555","0.011","90","","1964","5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C96 H88 N8 O4 -","4","1","","He, Kun; Zeng, Weikun; Yu, Xianglin; Zhou, Jun; Jin, Yi","Direct synthesis of enone-hydrazones under solvent free and additive free conditions.","Organic & biomolecular chemistry","2025","23","2","377","382","10.1039/d4ob01578a","","","0.71073","MoKα","","0.2217","0.0824","","","0.1761","0.2388","","","","","","1.014","","","","has coordinates","299094","2025-04-05","04:03:42",""
"7160219","10.94","0.005","16.898","0.008","14.59","0.008","90","","104.697","0.014","90","","2609","2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 F4 N2 O2 -","- C33 H24 F4 N2 O2 -","- C132 H96 F16 N8 O8 -","4","1","","Suri Babu, Undamatla; Naveen Kumar, Muniganti; Mahesh, Shivunapuram; Nanubolu, Jagadeesh Babu; Sridhar Reddy, Maddi","Pd-catalyzed <i>ortho</i>-/<i>meta</i>-C-H-annulation of biphenyl amines with enynes through non-rollover cyclometallation.","Organic & biomolecular chemistry","2025","23","2","292","296","10.1039/d4ob01689k","","","0.71073","MoKα","","0.1408","0.0514","","","0.1058","0.1412","","","","","","1.004","","","","has coordinates,has disorder","299095","2025-04-05","04:03:54",""
"7160227","5.4212","0.0011","12.849","0.003","15.183","0.003","82.858","0.008","81.299","0.008","87.732","0.009","1037.1","0.4","175.29","","175.29","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Cl N3 O S -","- C23 H20 Cl N3 O S -","- C46 H40 Cl2 N6 O2 S2 -","2","1","","Panja, Sayanwita; Dhurey, Arun; Pramanik, Animesh","Synthesis of diarylsulphide-/diarylselenide-embedded pyrazole-fused isocoumarins and isatin/ninhydrin hydrazones <i>via</i> acid-catalyzed solvent- and temperature-controlled reactions.","Organic & biomolecular chemistry","2025","23","2","440","448","10.1039/d4ob01422g","","","0.71073","MoKα","","0.073","0.0597","","","0.1629","0.1782","","","","","","1.056","","","","has coordinates","299097","2025-04-05","04:04:25",""
"7160228","7.882","0.0011","10.6903","0.0015","15.608","0.002","81.608","0.005","82.326","0.005","68.92","0.005","1209.3","0.3","298.95","","298.95","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O3 S -","- C30 H22 N2 O3 S -","- C60 H44 N4 O6 S2 -","2","1","","Panja, Sayanwita; Dhurey, Arun; Pramanik, Animesh","Synthesis of diarylsulphide-/diarylselenide-embedded pyrazole-fused isocoumarins and isatin/ninhydrin hydrazones <i>via</i> acid-catalyzed solvent- and temperature-controlled reactions.","Organic & biomolecular chemistry","2025","23","2","440","448","10.1039/d4ob01422g","","","0.71073","MoKα","","0.1222","0.0722","","","0.189","0.235","","","","","","1.046","","","","has coordinates","299097","2025-04-05","04:04:25",""
"7160229","13.3534","0.0004","8.1042","0.0002","10.3592","0.0002","90","","91.772","0.001","90","","1120.52","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O6 P2 -","- C8 H11 N O6 P2 -","- C32 H44 N4 O24 P8 -","4","1","","Urbanovský, Peter; David, Tomáš; Hlinová, Veronika; Kubíček, Vojtěch; Pietzsch, Hans-Jürgen; Hermann, Petr","Cross-bridged cyclam derivatives with bis(phosphinate) and phosphinate-phosphonate pendant arms (cb-BPC) as chelators for copper radioisotopes.","Organic & biomolecular chemistry","2025","23","3","699","720","10.1039/d4ob01473a","","","0.71073","MoKα","","0.0258","0.0248","","","0.0701","0.0711","","","","","","1.068","","","","has coordinates","299145","2025-04-05","04:13:54",""
"7160238","5.2116","0.0002","7.7885","0.0003","16.4336","0.0007","97.903","0.002","98.647","0.002","97.738","0.002","644.93","0.05","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F5 N3 O2 -","- C12 H8 F5 N3 O2 -","- C24 H16 F10 N6 O4 -","2","1","","Saravanakumar, Srinivasan Pon; Nagasundaram, Nagarajan; DhineshKumar, Jayaraman; Rajalakshmi, Periyaswamy; Lalitha, Appaswami","TFAA mediated one-pot synthesis of chiral <i>N</i>-protected amino acid-derived 1,2,4-oxadiazoles and their antibacterial studies.","Organic & biomolecular chemistry","2025","23","2","360","368","10.1039/d4ob01509f","","","1.54178","CuKα","","0.0833","0.0731","","","0.2152","0.2304","","","","","","1.081","","","","has coordinates","299092","2025-04-05","04:03:06",""
"7160239","10.54497","0.00006","7.19449","0.00004","18.5694","0.00011","90","","100.39","0.0006","90","","1385.68","0.014","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Br N2 O2 -","- C14 H17 Br N2 O2 -","- C56 H68 Br4 N8 O8 -","4","1","","Bakuleva, Nadezhda A.; Lichitskii, Boris V.; Komogortsev, Andrey N.; Tretyakov, Evgeny V.","The study of the photochemical behavior of 5-aryl-2,3-dihydropyrazine 1,4-dioxides.","Organic & biomolecular chemistry","2025","23","2","369","376","10.1039/d4ob01570c","","x-ray","1.54184","CuKα","","0.0272","0.027","","","0.0695","0.0696","","","","","","1.099","","","","has coordinates","299093","2025-04-05","04:03:22",""
"7160240","9.5847","0.0001","11.1855","0.0001","13.067","0.0001","90","","102.183","0.001","90","","1369.36","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Cl N2 O2 -","- C14 H17 Cl N2 O2 -","- C56 H68 Cl4 N8 O8 -","4","1","","Bakuleva, Nadezhda A.; Lichitskii, Boris V.; Komogortsev, Andrey N.; Tretyakov, Evgeny V.","The study of the photochemical behavior of 5-aryl-2,3-dihydropyrazine 1,4-dioxides.","Organic & biomolecular chemistry","2025","23","2","369","376","10.1039/d4ob01570c","","x-ray","1.54184","CuKα","","0.0313","0.0311","","","0.081","0.0812","","","","","","1.055","","","","has coordinates","299093","2025-04-05","04:03:32",""
"7160241","10.769","0.0001","12.767","0.0002","22.6802","0.0003","90","","90","","90","","3118.25","0.07","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H22 N2 O4 -","- C16 H22 N2 O4 -","- C128 H176 N16 O32 -","8","1","","Bakuleva, Nadezhda A.; Lichitskii, Boris V.; Komogortsev, Andrey N.; Tretyakov, Evgeny V.","The study of the photochemical behavior of 5-aryl-2,3-dihydropyrazine 1,4-dioxides.","Organic & biomolecular chemistry","2025","23","2","369","376","10.1039/d4ob01570c","","x-ray","1.54184","CuKα","","0.0375","0.0347","","","0.092","0.0939","","","","","","1.081","","","","has coordinates","299093","2025-04-05","04:03:33",""
"7160242","12.47732","0.00007","10.4372","0.00005","11.94409","0.00006","90","","114.585","0.0006","90","","1414.45","0.014","99.97","0.16","99.97","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Br N2 O -","- C14 H17 Br N2 O -","- C56 H68 Br4 N8 O4 -","4","1","","Bakuleva, Nadezhda A.; Lichitskii, Boris V.; Komogortsev, Andrey N.; Tretyakov, Evgeny V.","The study of the photochemical behavior of 5-aryl-2,3-dihydropyrazine 1,4-dioxides.","Organic & biomolecular chemistry","2025","23","2","369","376","10.1039/d4ob01570c","","x-ray","1.54184","CuKα","","0.0255","0.0255","","","0.0609","0.061","","","","","","1.07","","","","has coordinates,has disorder","299093","2025-04-05","04:03:34",""
"7160245","17.6937","0.0009","4.5126","0.0002","18.7442","0.001","90","","105.041","0.005","90","","1445.35","0.13","300","2","300","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C13 H10 Br F5 N2 -","- C13 H10 Br F5 N2 -","- C52 H40 Br4 F20 N8 -","4","1","","Wang, Ruikang; Jin, Peng; Yang, Gaowang; Fan, Ying; Bai, Zuyu; Huang, Danfeng; Wang, Ke-Hu; Wang, Junjiao; Hu, Yulai","Synthesis of 3,5-bis(fluoroalkyl)pyrazoles/pyrazolines <i>via</i> [3 + 2] cycloaddition of di/trifluoroacetohydrazonoyl bromides and trifluoromethyl-substituted alkenes.","Organic & biomolecular chemistry","2025","23","3","638","648","10.1039/d4ob01160k","","","1.54184","CuKα","","0.0764","0.0619","","","0.1805","0.1962","","","","","","1.107","","","","has coordinates,has disorder","299146","2025-04-05","04:14:02",""
"7160246","7.452","0.0004","10.0443","0.0004","11.7716","0.0005","86.89","0.003","73.961","0.004","70.172","0.004","795.85","0.07","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Br F5 N2 -","- C17 H12 Br F5 N2 -","- C34 H24 Br2 F10 N4 -","2","1","","Wang, Ruikang; Jin, Peng; Yang, Gaowang; Fan, Ying; Bai, Zuyu; Huang, Danfeng; Wang, Ke-Hu; Wang, Junjiao; Hu, Yulai","Synthesis of 3,5-bis(fluoroalkyl)pyrazoles/pyrazolines <i>via</i> [3 + 2] cycloaddition of di/trifluoroacetohydrazonoyl bromides and trifluoromethyl-substituted alkenes.","Organic & biomolecular chemistry","2025","23","3","638","648","10.1039/d4ob01160k","","x-ray","1.54184","CuKα","","0.0306","0.03","","","0.0748","0.075","","","","","","1.076","","","","has coordinates","299146","2025-04-05","04:14:03",""
"7160247","9.4744","0.0009","16.0747","0.0014","14.7594","0.0011","90","","99.735","0.009","90","","2215.5","0.3","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl N3 O -","- C26 H22 Cl N3 O -","- C104 H88 Cl4 N12 O4 -","4","1","","Yang, Zi; Luo, Ji; Zhang, Wenbo; Lei, Jieni; Liu, Chaoshui; Li, Yaqian","Rhodium(III)-catalyzed direct C-H activation of 2-aryl-3<i>H</i>-indoles: a strategy for 4-heteroaryl pyrazole synthesis.","Organic & biomolecular chemistry","2025","23","2","323","327","10.1039/d4ob01655f","","x-ray","0.71073","MoKα","","0.0873","0.0542","","","0.1094","0.1247","","","","","","1.03","","","","has coordinates","299096","2025-04-05","04:04:12",""
"7160248","9.5836","0.0019","10.09","0.002","10.318","0.002","82.92","0.03","78.03","0.03","65.49","0.03","887.3","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 O3 P -","- C21 H19 O3 P -","- C42 H38 O6 P2 -","2","1","","Cao, Dingsheng; Wan, Jie-Ping; Liu, Yunyun","Metal-free hydrodifunctionalization of enaminones for the synthesis of ketomethylene-functionalized phosphoryl alcohols.","Organic & biomolecular chemistry","2025","23","4","799","802","10.1039/d4ob01779j","","","0.71073","MoKα","","0.0784","0.0523","","","0.1153","0.1476","","","","","","1.153","","","","has coordinates","299083","2025-04-05","04:00:00",""
"7160249","16.9636","0.0008","5.4254","0.0002","18.4927","0.0008","90","","108.262","0.002","90","","1616.24","0.12","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Nitisha, ?; Sahu, Sonali; Parthasarathy, Venkatakrishnan","Pentagon-embedded N-doped coumarinacenes: tandem synthesis and tunable photophysical attributes for biomolecular probing.","Organic & biomolecular chemistry","2025","23","4","873","883","10.1039/d4ob01048e","","","0.71073","MoKα","","0.092","0.069","","","0.182","0.199","","","","","","1.072","","","","has coordinates","299085","2025-04-05","04:00:27",""
"7160250","7.6312","0.0004","9.6106","0.0005","12.8959","0.0008","72.286","0.003","81.389","0.003","88.455","0.003","890.62","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H17 N O2 -","- C26 H17 N O2 -","- C52 H34 N2 O4 -","2","1","","Nitisha, ?; Sahu, Sonali; Parthasarathy, Venkatakrishnan","Pentagon-embedded N-doped coumarinacenes: tandem synthesis and tunable photophysical attributes for biomolecular probing.","Organic & biomolecular chemistry","2025","23","4","873","883","10.1039/d4ob01048e","","","0.71073","MoKα","","0.0533","0.0379","","","0.0905","0.102","","","","","","1.026","","","","has coordinates","299085","2025-04-05","04:00:27",""
"7160251","7.7256","0.0004","9.6168","0.0006","11.7022","0.0007","66.39","0.002","77.927","0.002","83.497","0.002","778.6","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C40 H34 N2 O4 -","2","1","","Nitisha, ?; Sahu, Sonali; Parthasarathy, Venkatakrishnan","Pentagon-embedded N-doped coumarinacenes: tandem synthesis and tunable photophysical attributes for biomolecular probing.","Organic & biomolecular chemistry","2025","23","4","873","883","10.1039/d4ob01048e","","","0.71073","MoKα","","0.0957","0.0665","","","0.1763","0.2102","","","","","","1.035","","","","has coordinates","299085","2025-04-05","04:00:27",""
"7160252","16.731","0.0003","17.9089","0.0004","19.0611","0.0003","106.666","0.0017","102.981","0.0016","114.312","0.002","4586","0.2","149.99","0.1","149.99","0.1","","","","","","","","7","P -1","-P 1","2","4-AuCl","4-AuCl","","- C48 H59 Au Cl O6 P S2 -","- C48 H59 Au Cl O6 P S2 -","- C192 H236 Au4 Cl4 O24 P4 S8 -","4","2","","Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng","Coordination complexes of P<sup>III</sup>-doped heterobuckybowls and their applications in catalysis.","Organic & biomolecular chemistry","2025","23","3","665","672","10.1039/d4ob01737d","","x-ray","1.54184","CuKα","","0.0486","0.0397","","","0.1031","0.1087","","","","","","1.063","","","","has coordinates,has disorder","299147","2025-04-05","04:21:35",""
"7160253","15.002","0.0004","17.4424","0.0004","17.9639","0.0005","94.148","0.002","96.151","0.002","90.06","0.002","4661.1","0.2","150","","150","","","","","","","","","7","P -1","-P 1","2","6-PdCl2","6-PdCl2","","- C96 H118 Cl2 O12 P2 Pd Te4 -","- C96 H118 Cl2 O12 P2 Pd Te4 -","- C192 H236 Cl4 O24 P4 Pd2 Te8 -","2","1","","Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng","Coordination complexes of P<sup>III</sup>-doped heterobuckybowls and their applications in catalysis.","Organic & biomolecular chemistry","2025","23","3","665","672","10.1039/d4ob01737d","","","1.54184","CuKα","","0.1016","0.0826","","","0.2194","0.2398","","","","","","1.047","","","","has coordinates,has disorder","299147","2025-04-05","04:21:36",""
"7160254","16.26452","0.00015","16.53506","0.00016","19.14664","0.00018","83.1891","0.0008","65.449","0.0009","88.1601","0.0008","4649.78","0.08","129.99","0.1","129.99","0.1","","","","","","","","7","P -1","-P 1","2","6-PtCl2","6-PtCl2","","- C96 H118 Cl2 O12 P2 Pt Te4 -","- C96 H118 Cl2 O12 P2 Pt Te4 -","- C192 H236 Cl4 O24 P4 Pt2 Te8 -","2","1","","Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng","Coordination complexes of P<sup>III</sup>-doped heterobuckybowls and their applications in catalysis.","Organic & biomolecular chemistry","2025","23","3","665","672","10.1039/d4ob01737d","","x-ray","1.54184","CuKα","","0.0554","0.0534","","","0.1441","0.1465","","","","","","1.018","","","","has coordinates,has disorder","299147","2025-04-05","04:21:36",""
"7160255","9.95628","0.00004","33.13649","0.00019","29.23546","0.00013","90","","90.7583","0.0004","90","","9644.41","0.08","149.99","0.11","149.99","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","6-AuCl","6-AuCl","","- C48 H59 Au Cl O6 P Te2 -","- C48 H59 Au Cl O6 P Te2 -","- C384 H472 Au8 Cl8 O48 P8 Te16 -","8","2","","Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng","Coordination complexes of P<sup>III</sup>-doped heterobuckybowls and their applications in catalysis.","Organic & biomolecular chemistry","2025","23","3","665","672","10.1039/d4ob01737d","","x-ray","1.54184","CuKα","","0.0486","0.0434","","","0.1102","0.1132","","","","","","1.057","","","","has coordinates,has disorder","299147","2025-04-05","04:21:36",""
"7160256","17.3656","0.0002","22.3745","0.0002","24.2121","0.0002","89.68","0.001","78.879","0.001","86.794","0.001","9216.3","0.16","150.1","0.3","150.1","0.3","","","","","","","","8","P -1","-P 1","2","5-PdCl2","5-PdCl2","","- C194 H239 Cl4 N O24 P4 Pd2 Se8 -","- C194 H239 Cl4 N O24 P4 Pd2 Se8 -","- C388 H478 Cl8 N2 O48 P8 Pd4 Se16 -","2","1","","Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng","Coordination complexes of P<sup>III</sup>-doped heterobuckybowls and their applications in catalysis.","Organic & biomolecular chemistry","2025","23","3","665","672","10.1039/d4ob01737d","","x-ray","1.54184","CuKα","","0.0752","0.0703","","","0.1922","0.1966","","","","","","1.033","","","","has coordinates","299147","2025-04-05","04:21:36",""
"7160257","16.9381","0.0002","20.3995","0.0002","29.6262","0.0003","100.168","0.001","103.367","0.001","95.809","0.001","9694.55","0.19","149.99","0.1","149.99","0.1","","","","","","","","8","P -1","-P 1","2","4-PdCl2","4-PdCl2","","- C98 H121 Cl4 N O12 P2 Pd2 S4 -","- C98 H121 Cl4 N O12 P2 Pd2 S4 -","- C392 H484 Cl16 N4 O48 P8 Pd8 S16 -","4","2","","Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng","Coordination complexes of P<sup>III</sup>-doped heterobuckybowls and their applications in catalysis.","Organic & biomolecular chemistry","2025","23","3","665","672","10.1039/d4ob01737d","","x-ray","1.54184","CuKα","","0.1086","0.0969","","","0.2363","0.2413","","","","","","1.097","","","","has coordinates,has disorder","299147","2025-04-05","04:21:36",""
"7160258","17.4708","0.0003","22.2672","0.0004","24.0276","0.0004","89.5107","0.0013","79.0226","0.0014","86.6647","0.0015","9160.7","0.3","149.99","0.1","149.99","0.1","","","","","","","","8","P -1","-P 1","2","4-PtCl2","4-PtCl2","","- C96.5 H119 Cl2 N0.5 O12.5 P2 Pt S4 -","- C96.5 H119 Cl2 N0.5 O12.5 P2 Pt S4 -","- C386 H476 Cl8 N2 O50 P8 Pt4 S16 -","4","2","","Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng","Coordination complexes of P<sup>III</sup>-doped heterobuckybowls and their applications in catalysis.","Organic & biomolecular chemistry","2025","23","3","665","672","10.1039/d4ob01737d","","x-ray","1.54184","CuKα","","0.0766","0.0575","","","0.1414","0.1514","","","","","","1.019","","","","has coordinates,has disorder","299147","2025-04-05","04:21:36",""
"7160259","28.00533","0.00019","38.3306","0.0003","17.81397","0.00012","90","","91.8893","0.0006","90","","19112.2","0.2","149.99","0.1","149.99","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","5-AuCl","5-AuCl","","- C48.5 H59.75 Au Cl N0.25 O6 P Se2 -","- C48.5 H59.75 Au Cl N0.25 O6 P Se2 -","- C776 H956 Au16 Cl16 N4 O96 P16 Se32 -","16","4","","Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng","Coordination complexes of P<sup>III</sup>-doped heterobuckybowls and their applications in catalysis.","Organic & biomolecular chemistry","2025","23","3","665","672","10.1039/d4ob01737d","","x-ray","1.54184","CuKα","","0.0939","0.0801","","","0.2264","0.2391","","","","","","1.04","","","","has coordinates","299147","2025-04-05","04:21:36",""
"7160260","17.1838","0.0002","22.637","0.0003","24.0907","0.0002","89.8577","0.0009","78.6933","0.001","86.8545","0.0011","9174.99","0.18","149.96","0.13","149.96","0.13","","","","","","","","8","P -1","-P 1","2","5-PtCl2","5-PtCl2","","- C97 H119.5 Cl2 N0.5 O12 P2 Pt Se4 -","- C97 H119.5 Cl2 N0.5 O12 P2 Pt Se4 -","- C388 H478 Cl8 N2 O48 P8 Pt4 Se16 -","4","2","","Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng","Coordination complexes of P<sup>III</sup>-doped heterobuckybowls and their applications in catalysis.","Organic & biomolecular chemistry","2025","23","3","665","672","10.1039/d4ob01737d","","x-ray","1.54184","CuKα","","0.0663","0.0636","","","0.181","0.1836","","","","","","1.035","","","","has coordinates","299147","2025-04-05","04:21:36",""
"7160261","12.1425","0.0003","13.6754","0.0003","18.9825","0.0004","90","","105.144","0.002","90","","3042.65","0.12","133","2","133","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C31 H23 F2 N O4 S2 -","- C31 H23 F2 N O4 S2 -","- C124 H92 F8 N4 O16 S8 -","4","0.5","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of symmetrical bis-sulfonyl 2,6-diarylpyridines <i>via</i> BiCl<sub>3</sub>-catalyzed and K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-mediated domino annulation of β-ketosulfones and <i>N</i>,<i>N</i>-dimethylacetamide.","Organic & biomolecular chemistry","2025","23","4","844","853","10.1039/d4ob01681e","","x-ray","0.71073","MoKα","","0.039","0.0363","","","0.0959","0.0976","","","","","","1.058","","","","has coordinates","299091","2025-04-05","04:03:00",""
"7160262","12.3904","0.0006","21.7691","0.0007","12.4795","0.0006","90","","117.735","0.006","90","","2979.3","0.3","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H32 O8 S2 -","- C33 H32 O8 S2 -","- C132 H128 O32 S8 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of symmetrical bis-sulfonyl 2,6-diarylpyridines <i>via</i> BiCl<sub>3</sub>-catalyzed and K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-mediated domino annulation of β-ketosulfones and <i>N</i>,<i>N</i>-dimethylacetamide.","Organic & biomolecular chemistry","2025","23","4","844","853","10.1039/d4ob01681e","","x-ray","0.71073","MoKα","","0.083","0.0717","","","0.1724","0.1793","","","","","","1.026","","","","has coordinates","299091","2025-04-05","04:03:00",""
"7160263","16.1179","0.0003","12.2499","0.0002","26.8761","0.0005","90","","90","","90","","5306.49","0.16","130","","130","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C58 H42 N2 O8 S4 -","- C58 H42 N2 O8 S4 -","- C232 H168 N8 O32 S16 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of symmetrical bis-sulfonyl 2,6-diarylpyridines <i>via</i> BiCl<sub>3</sub>-catalyzed and K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-mediated domino annulation of β-ketosulfones and <i>N</i>,<i>N</i>-dimethylacetamide.","Organic & biomolecular chemistry","2025","23","4","844","853","10.1039/d4ob01681e","","","0.71073","MoKα","","0.055","0.0501","","","0.1213","0.1244","","","","","","1.06","","","","has coordinates","299091","2025-04-05","04:03:00",""
"7160264","10.62167","0.00013","10.50225","0.00011","15.14865","0.00015","90","","93.6459","0.001","90","","1686.43","0.03","113.15","","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H50 O4 Si -","- C37 H50 O4 Si -","- C74 H100 O8 Si2 -","2","1","","Meng, Lingduan; Liu, Jingjing; Sun, Zeying; Hou, Yangdong; Huang, Qingyun; Tang, Pingping","Forging the tricyclic core framework of euphordraculoate B <i>via</i> a Barbier-type allyl addition.","Organic & biomolecular chemistry","2025","23","3","589","592","10.1039/d4ob01743a","","x-ray","0.71073","MoKα","","0.0464","0.0447","","","0.1083","0.1097","","","","","","1.068","","","","has coordinates","299148","2025-04-05","04:23:21",""
"7160265","14.885","0.002","9.4476","0.0011","15.911","0.002","90","","116.173","0.019","90","","2008.1","0.5","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H15 N O5 -","- C26 H15 N O5 -","- C104 H60 N4 O20 -","4","1","","Hopkins, Scarlet L.; Clarke, Kristen T.; Clegg, Jack K.; Gee, William J.","One-pot synthesis of azepine spiro[4.6]-γ-lactams by a Hantzsch-type reaction.","Organic & biomolecular chemistry","2025","23","3","614","618","10.1039/d4ob01719f","","x-ray","0.71073","MoKα","","0.0933","0.0635","","","0.1369","0.1555","","","","","","1.053","","","","has coordinates","299149","2025-04-05","04:23:36",""
"7160266","12.3461","0.0007","9.1978","0.0005","20.5495","0.0011","90","","102.858","0.004","90","","2275","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28.5 H19 Cl N2 O3 -","- C28 H18 N2 O3 -","- C112 H72 N8 O12 -","4","1","","Hopkins, Scarlet L.; Clarke, Kristen T.; Clegg, Jack K.; Gee, William J.","One-pot synthesis of azepine spiro[4.6]-γ-lactams by a Hantzsch-type reaction.","Organic & biomolecular chemistry","2025","23","3","614","618","10.1039/d4ob01719f","","","1.54178","CuKα","","0.0962","0.0649","","","0.1823","0.1982","","","","","","1.076","","","","has coordinates","299149","2025-04-05","04:23:36",""
"7160267","6.9394","0.0006","10.6577","0.0008","10.8516","0.0009","64.849","0.008","81.266","0.007","87.52","0.007","717.85","0.11","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C38 H26 N2 O6 -","2","1","","Hopkins, Scarlet L.; Clarke, Kristen T.; Clegg, Jack K.; Gee, William J.","One-pot synthesis of azepine spiro[4.6]-γ-lactams by a Hantzsch-type reaction.","Organic & biomolecular chemistry","2025","23","3","614","618","10.1039/d4ob01719f","","x-ray","0.71073","MoKα","","0.0611","0.0437","","","0.0926","0.1026","","","","","","1.058","","","","has coordinates","299149","2025-04-05","04:23:36",""
"7160268","10.5296","0.0005","20.1852","0.0013","12.1204","0.0008","90","","113.1","0.003","90","","2369.5","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Br N2 O4 -","- C27 H15 Br N2 O3 -","- C108 H60 Br4 N8 O12 -","4","1","","Hopkins, Scarlet L.; Clarke, Kristen T.; Clegg, Jack K.; Gee, William J.","One-pot synthesis of azepine spiro[4.6]-γ-lactams by a Hantzsch-type reaction.","Organic & biomolecular chemistry","2025","23","3","614","618","10.1039/d4ob01719f","","","1.54178","CuKα","","0.0897","0.0733","","","0.1962","0.2098","","","","","","1.044","","","","has coordinates","299149","2025-04-05","04:23:37",""
"7160269","23.0157","0.0011","7.5409","0.0003","27.2889","0.0015","90","","110.155","0.006","90","","4446.2","0.4","190","2","190","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H22 N2 O5 -","- C27 H18 N2 O4 -","- C216 H144 N16 O32 -","8","1","","Hopkins, Scarlet L.; Clarke, Kristen T.; Clegg, Jack K.; Gee, William J.","One-pot synthesis of azepine spiro[4.6]-γ-lactams by a Hantzsch-type reaction.","Organic & biomolecular chemistry","2025","23","3","614","618","10.1039/d4ob01719f","","x-ray","0.71073","MoKα","","0.0724","0.0469","","","0.1043","0.116","","","","","","1.01","","","","has coordinates","299149","2025-04-05","04:23:37",""
"7160270","12.2834","0.0007","9.2034","0.0005","20.3095","0.0013","90","","100.514","0.006","90","","2257.4","0.2","219.7","0.6","219.7","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H21 N2 O3.5 -","- C28 H18 N2 O3 -","- C112 H72 N8 O12 -","4","1","","Hopkins, Scarlet L.; Clarke, Kristen T.; Clegg, Jack K.; Gee, William J.","One-pot synthesis of azepine spiro[4.6]-γ-lactams by a Hantzsch-type reaction.","Organic & biomolecular chemistry","2025","23","3","614","618","10.1039/d4ob01719f","","x-ray","0.71073","MoKα","","0.0736","0.0483","","","0.1146","0.1246","","","","","","1.032","","","","has coordinates","299149","2025-04-05","04:23:37",""
"7160271","9.8568","0.0008","20.5209","0.0017","11.6657","0.0007","90","","107.853","0.008","90","","2246","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 N3 O6 -","- C26 H13 N3 O5 -","- C104 H52 N12 O20 -","4","1","","Hopkins, Scarlet L.; Clarke, Kristen T.; Clegg, Jack K.; Gee, William J.","One-pot synthesis of azepine spiro[4.6]-γ-lactams by a Hantzsch-type reaction.","Organic & biomolecular chemistry","2025","23","3","614","618","10.1039/d4ob01719f","","x-ray","0.71073","MoKα","","0.0638","0.046","","","0.1075","0.1146","","","","","","1.036","","","","has coordinates","299149","2025-04-05","04:23:37",""
"7160272","8.6341","0.0005","9.4095","0.0006","13.5968","0.0008","72.973","0.005","80.305","0.005","82.117","0.005","1036.6","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-(N-Acetylaminomethyl)-5-bromo-benzo[c]isoxazol","","- C10 H9 Br N2 O2 -","- C10 H9 Br N2 O2 -","- C40 H36 Br4 N8 O8 -","4","2","","Lenhard, Marola S.; Winter, Johannes; Sandvoß, Alexander; Gálvez-Vázquez, María de Jesús; Schollmeyer, Dieter; Waldvogel, Siegfried R.","Simple and versatile electrochemical synthesis of highly substituted 2,1-benzisoxazoles.","Organic & biomolecular chemistry","2025","23","10","2391","2399","10.1039/d4ob01875c","","","0.71073","MoKα","","0.0508","0.043","","","0.1086","0.1141","","","","","","1.174","","","","has coordinates","299058","2025-04-05","03:55:37",""
"7160273","22.4102","0.0006","8.0136","0.0002","19.389","0.0004","90","","98.932","0.002","90","","3439.78","0.15","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis(benzothiazolyl) -3-pyrrolyl BODIPY","","- C9.25 H6.25 B0.25 Cl0.75 F0.5 N1.25 S0.5 -","- C9.25 H6.25 B0.25 Cl0.75 F0.5 N1.25 S0.5 -","- C148 H100 B4 Cl12 F8 N20 S8 -","16","4","","Behera, Kanhu Charan; Chauhan, Pinky; Tiwari, Shubham; Ravikanth, Mangalampalli","Synthesis, structure, and spectral and electrochemical properties of new visible to NIR absorbing 3-pyrrolyl BODIPY derivatives.","Organic & biomolecular chemistry","2025","23","4","935","947","10.1039/d4ob01735h","","x-ray","0.71073","MoKα","","0.0485","0.0415","","","0.0981","0.1036","","","","","","1.034","","","","has coordinates","299088","2025-04-05","04:02:12",""
"7160274","11.6585","0.0004","10.022","0.0003","18.3087","0.0005","90","","103.006","0.003","90","","2084.34","0.11","151","3","151","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,2,4-triazole -2-imine-3-pyrrolyl BODIPY","","- C23 H18 B F2 N7 -","- C23 H18 B F2 N7 -","- C92 H72 B4 F8 N28 -","4","1","","Behera, Kanhu Charan; Chauhan, Pinky; Tiwari, Shubham; Ravikanth, Mangalampalli","Synthesis, structure, and spectral and electrochemical properties of new visible to NIR absorbing 3-pyrrolyl BODIPY derivatives.","Organic & biomolecular chemistry","2025","23","4","935","947","10.1039/d4ob01735h","","x-ray","0.71073","MoKα","","0.0575","0.0435","","","0.1305","0.1446","","","","","","1.0183","","","","has coordinates","299088","2025-04-05","04:02:22",""
"7160275","10.6474","0.0003","13.6874","0.0006","18.0722","0.0007","74.614","0.004","83.007","0.003","73.867","0.003","2436.08","0.17","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","Re(I)-bis(benzothiazolyl) -3-pyrrolyl BODIPY","","- C47 H40 B Cl7 F2 N5 O3 Re S2 -","- C41 H26 B Cl7 F2 N5 O3 Re S2 -","- C82 H52 B2 Cl14 F4 N10 O6 Re2 S4 -","2","1","","Behera, Kanhu Charan; Chauhan, Pinky; Tiwari, Shubham; Ravikanth, Mangalampalli","Synthesis, structure, and spectral and electrochemical properties of new visible to NIR absorbing 3-pyrrolyl BODIPY derivatives.","Organic & biomolecular chemistry","2025","23","4","935","947","10.1039/d4ob01735h","","x-ray","0.71073","MoKα","","0.0421","0.0383","","","0.0933","0.097","","","","","","1.067","","","","has coordinates","299088","2025-04-05","04:02:22",""
"7160276","6.8332","0.0009","16.149","0.002","21.497","0.003","90","","90","","90","","2372.2","0.5","297","","297","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 Cl F3 N2 O3 -","- C27 H20 Cl F3 N2 O3 -","- C108 H80 Cl4 F12 N8 O12 -","4","1","","Bharani, Sankar; Ananda Rao, Biddika; Chowhan, L. Raju; Pallepogu, Raghavaiah; Prasad, Madavi S.","Asymmetric synthesis of spiro[benzofuran-pyrrolidine]-indolinedione <i>via</i> bifunctional urea catalyzed [3 + 2]-annulation.","Organic & biomolecular chemistry","2025","23","4","914","919","10.1039/d4ob01614a","","","0.71073","MoKα","","0.0532","0.0377","","","0.0858","0.0949","","","","","","1.028","","","","has coordinates","299089","2025-04-05","04:02:30",""
"7160277","12.5894","0.0008","7.3292","0.0004","26.5878","0.0017","90","","95.011","0.002","90","","2443.9","0.3","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 Cl2 O3 -","- C30 H18 Cl2 O3 -","- C120 H72 Cl8 O12 -","4","1","","Fan, Jian; Liang, Xuecheng; Yao, Liangliang; Wang, Yating; Wang, Kai; Yao, Bangben; Liu, Yujun; Xu, Shuwen","Synthesis of tetrasubstituted furans through a Cu/base-mediated cascade reaction from terminal alkynes and 1,2-diketones.","Organic & biomolecular chemistry","2025","23","5","1084","1088","10.1039/d4ob01785d","","","0.71073","MoKα","","0.0544","0.0472","","","0.1238","0.1295","","","","","","1.063","","","","has coordinates","299081","2025-04-05","03:59:46",""
"7160278","12.436","0.017","7.306","0.008","26.63","0.04","90","","94.18","0.05","90","","2413","6","273.15","","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O3 -","- C32 H24 O3 -","- C128 H96 O12 -","4","1","","Fan, Jian; Liang, Xuecheng; Yao, Liangliang; Wang, Yating; Wang, Kai; Yao, Bangben; Liu, Yujun; Xu, Shuwen","Synthesis of tetrasubstituted furans through a Cu/base-mediated cascade reaction from terminal alkynes and 1,2-diketones.","Organic & biomolecular chemistry","2025","23","5","1084","1088","10.1039/d4ob01785d","","","0.71073","MoKα","","0.1316","0.1266","","","0.2964","0.2999","","","","","","1.277","","","","has coordinates","299081","2025-04-05","03:59:46",""
"7160286","10.0126","0.0002","10.5943","0.0002","19.0839","0.0003","90","","95.77","0.001","90","","2014.1","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 F N2 O5 S -","- C22 H21 F N2 O5 S -","- C88 H84 F4 N8 O20 S4 -","4","1","","Luo, Dan; Wang, Qian; Liu, Jiang; Mei, Haibo; Han, Jianlin","Electrochemical synthesis of γ-carbolinones <i>via</i> sulfonylation-triggered cyclization of indole-3-carboxamides.","Organic & biomolecular chemistry","2025","23","6","1309","1313","10.1039/d4ob01703j","","x-ray","1.54184","CuKα","","0.0331","0.0309","","","0.0843","0.086","","","","","","1.011","","","","has coordinates","299106","2025-04-05","04:05:52",""
"7160287","19.8487","0.0019","11.0122","0.0012","8.5823","0.0008","90","","90","","90","","1875.9","0.3","293","2","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H17 N2 O S -","- C24 H17 N2 O S -","- C96 H68 N8 O4 S4 -","4","1","","Li, Yuming; Gou, Yan; Hou, Shanling; Xu, Yanwei; Yang, Yuxing; Wan, Zhihan; Fan, Zhi","Construction of benzimidazole- and indole-fused azabicyclo[3.1.0]hexanes bearing a cyano-containing quaternary center from vinylsulfonium salts through sequential [3 + 2]/[2 + 1] cyclization.","Organic & biomolecular chemistry","2025","23","6","1325","1329","10.1039/d4ob01615g","","","0.71073","MoKα","","0.0952","0.0639","","","0.1583","0.1803","","","","","","1.076","","","","has coordinates","299103","2025-04-05","04:05:13",""
"7160288","12.132","0.003","17.534","0.003","12.433","0.002","90","","114.296","0.007","90","","2410.5","0.8","295.3","","295.3","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Br N3 -","- C24 H16 Br N3 -","- C96 H64 Br4 N12 -","4","1","","Li, Yuming; Gou, Yan; Hou, Shanling; Xu, Yanwei; Yang, Yuxing; Wan, Zhihan; Fan, Zhi","Construction of benzimidazole- and indole-fused azabicyclo[3.1.0]hexanes bearing a cyano-containing quaternary center from vinylsulfonium salts through sequential [3 + 2]/[2 + 1] cyclization.","Organic & biomolecular chemistry","2025","23","6","1325","1329","10.1039/d4ob01615g","","x-ray","0.71073","MoKα","","0.1032","0.0547","","","0.1317","0.1529","","","","","","1.045","","","","has coordinates","299103","2025-04-05","04:05:13",""
"7160289","8.3208","0.0001","28.4887","0.0004","9.4015","0.0001","90","","116.109","0.002","90","","2001.2","0.05","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","6,7-Di(4-methoxyphenyl)-1,3-dimethyl-1H-perimidin-2(3H)-one","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C108 H96 N8 O12 -","4","0.5","","Dyatlov, Andrey L.; Filatova, Ekaterina A.; Pozharskii, Alexander F.; Marchenko, Sergey S.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Brig, Sergei S.; Medvedev, Michael G.; Bekmansurov, Danis R.; Morozov, Pavel G.; Gulevskaya, Anna V.","6-Aryl- and 6,7-diaryl-1,3-dimethyl-1<i>H</i>-perimidin-2(3<i>H</i>)-ones: synthesis, conformational stability, crystal structure and optical properties.","Organic & biomolecular chemistry","2025","23","4","948","959","10.1039/d4ob01680g","","x-ray","1.54184","CuKα","","0.0354","0.0334","","","0.0922","0.0943","","","","","","1.064","","","","has coordinates","299084","2025-04-05","04:00:10",""
"7160290","8.4559","0.0006","10.5065","0.0005","13.4343","0.0008","87.43","0.004","85.795","0.005","83.746","0.005","1182.41","0.12","100.02","0.1","100.02","0.1","","","","","","","","4","P -1","-P 1","2","","1,3-Dimethyl-6-(naphthalen-1-yl)-7-(m-tolyl)-1H-perimidin-2(3H)-one","","- C30 H24 N2 O -","- C30 H24 N2 O -","- C60 H48 N4 O2 -","2","1","","Dyatlov, Andrey L.; Filatova, Ekaterina A.; Pozharskii, Alexander F.; Marchenko, Sergey S.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Brig, Sergei S.; Medvedev, Michael G.; Bekmansurov, Danis R.; Morozov, Pavel G.; Gulevskaya, Anna V.","6-Aryl- and 6,7-diaryl-1,3-dimethyl-1<i>H</i>-perimidin-2(3<i>H</i>)-ones: synthesis, conformational stability, crystal structure and optical properties.","Organic & biomolecular chemistry","2025","23","4","948","959","10.1039/d4ob01680g","","x-ray","1.54184","CuKα","","0.1054","0.0601","","","0.1548","0.179","","","","","","0.985","","","","has coordinates,has disorder","299084","2025-04-05","04:00:10",""
"7160291","8.2374","0.0003","10.585","0.0005","13.7433","0.0006","85.449","0.004","81.551","0.004","84.968","0.003","1178.06","0.09","100.02","0.11","100.02","0.11","","","","","","","","4","P -1","-P 1","2","","1,3-Dimethyl-6-(naphthalen-1-yl)-7-phenyl-1H-perimidin-2(3H)-one","","- C29 H22 N2 O -","- C29 H22 N2 O -","- C58 H44 N4 O2 -","2","1","","Dyatlov, Andrey L.; Filatova, Ekaterina A.; Pozharskii, Alexander F.; Marchenko, Sergey S.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Brig, Sergei S.; Medvedev, Michael G.; Bekmansurov, Danis R.; Morozov, Pavel G.; Gulevskaya, Anna V.","6-Aryl- and 6,7-diaryl-1,3-dimethyl-1<i>H</i>-perimidin-2(3<i>H</i>)-ones: synthesis, conformational stability, crystal structure and optical properties.","Organic & biomolecular chemistry","2025","23","4","948","959","10.1039/d4ob01680g","","x-ray","1.54184","CuKα","","0.1051","0.0933","","","0.2778","0.2966","","","","","","1.234","","","","has coordinates","299084","2025-04-05","04:00:10",""
"7160292","19.1969","0.0002","7.4336","0.0001","26.0222","0.0004","90","","102.43","0.001","90","","3626.38","0.08","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Dimethyl-6,7-diphenyl-1H-perimidin-2(3H)-one","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C200 H160 N16 O8 -","8","1","","Dyatlov, Andrey L.; Filatova, Ekaterina A.; Pozharskii, Alexander F.; Marchenko, Sergey S.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Brig, Sergei S.; Medvedev, Michael G.; Bekmansurov, Danis R.; Morozov, Pavel G.; Gulevskaya, Anna V.","6-Aryl- and 6,7-diaryl-1,3-dimethyl-1<i>H</i>-perimidin-2(3<i>H</i>)-ones: synthesis, conformational stability, crystal structure and optical properties.","Organic & biomolecular chemistry","2025","23","4","948","959","10.1039/d4ob01680g","","x-ray","1.54184","CuKα","","0.0495","0.0418","","","0.1153","0.1218","","","","","","1.053","","","","has coordinates","299084","2025-04-05","04:00:10",""
"7160293","7.4039","0.0008","13.9229","0.0012","16.605","0.0014","109.969","0.008","95.072","0.008","93.817","0.008","1593.9","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H29 N O5 -","- C39 H29 N O5 -","- C78 H58 N2 O10 -","2","1","","Yang, Sha; Zhou, Jie; Gan, Ziyang; Wu, Shuai; Shi, Dan; Yan, Hong; Xie, Lili; Cheng, Jiajia; Li, Yuanming","Synthesis, structure, and reactivity of fully aryl-substituted pyrroles: toward the synthesis of nitrogen-doped buckybowls.","Organic & biomolecular chemistry","2025","23","4","822","826","10.1039/d4ob01835d","","x-ray","0.71073","MoKα","","0.1243","0.0722","","","0.1959","0.2311","","","","","","1.0203","","","","has coordinates","299086","2025-04-05","04:00:42",""
"7160294","10.1607","0.0004","13.9705","0.0004","17.2919","0.0005","80.397","0.002","74.367","0.003","82.73","0.003","2322.04","0.14","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C31 H20 O5 -","- C31 H20 O5 -","- C124 H80 O20 -","4","2","","Yang, Sha; Zhou, Jie; Gan, Ziyang; Wu, Shuai; Shi, Dan; Yan, Hong; Xie, Lili; Cheng, Jiajia; Li, Yuanming","Synthesis, structure, and reactivity of fully aryl-substituted pyrroles: toward the synthesis of nitrogen-doped buckybowls.","Organic & biomolecular chemistry","2025","23","4","822","826","10.1039/d4ob01835d","","x-ray","1.3405","GaKα","","0.1022","0.0669","","","0.1457","0.1582","","","","","","1.103","","","","has coordinates","299086","2025-04-05","04:00:42",""
"7160295","10.5176","0.0003","42.1854","0.0013","7.4578","0.0002","90","","90","","90","","3308.95","0.16","100.1","0.7","100.1","0.7","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C18 H14 I N3 O -","- C18 H14 I0.5 N3 O -","- C144 H112 I4 N24 O8 -","8","0.5","","Yan, Hua-Feng; Zou, Xiao; Wang, Jian-Qiang; Guo, Cheng; Zuo, Hang-Dong","Metal-free radical cascade cyclization/haloazidation of enynones to access functionalized 1-indanones.","Organic & biomolecular chemistry","2025","23","5","1067","1072","10.1039/d4ob01810a","","x-ray","1.54178","CuKα","","0.0812","0.0787","","","0.2101","0.2113","","","","","","1.174","","","","has coordinates,has disorder","299082","2025-04-05","03:59:53",""
"7160296","12.9075","0.0002","9.8706","0.0002","21.405","0.0004","90","","94.326","0.002","90","","2719.33","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N3 O4 S -","- C28 H33 N3 O4 S -","- C112 H132 N12 O16 S4 -","4","1","","Zheng, Xiaoshan; Wang, Menghan; Sun, Xianbin; Gao, Yu; Chen, Haijun","Catalyst-free coupling of peroxypyrroloindolenines with amines to afford stable peroxyindolenines.","Organic & biomolecular chemistry","2025","23","5","1215","1218","10.1039/d4ob01736f","","x-ray","1.54184","CuKα","","0.0797","0.0693","","","0.2039","0.2169","","","","","","1.086","","","","has coordinates","299080","2025-04-05","03:59:39",""
"7160297","15.7758","0.0014","5.9637","0.0006","15.5467","0.0014","90","","92.558","0.004","90","","1461.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","","Zalte, Rajesh R.; Festa, Alexey A.; Demidov, Sergei A.; Awuku, Samuel O.; Golubenkova, Alexandra S.; Mironov, Yuri Yu; Golantsov, Nikita E.; Storozhenko, Olga A.; Novikov, Anton P.; Voskressensky, Leonid G.","Total synthesis of the taraxacine A natural product <i>via</i> Ag(I)-catalysed imidate-alkyne cyclization.","Organic & biomolecular chemistry","2025","23","6","1386","1393","10.1039/d4ob01876a","","","0.71073","MoKα","","0.0942","0.0476","","","0.0894","0.1083","","","","","","1.029","","","","has coordinates","299105","2025-04-05","04:05:45",""
"7160298","15.116","0.006","22.806","0.009","11.975","0.004","90","","90","","90","","4128","3","273.15","","273.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C50 H46 F4 N4 O2 -","- C50 H46 F4 N4 O2 -","- C200 H184 F16 N16 O8 -","4","0.5","","Roy, Anik; Dutta, Ranjan; Halder, Dibakar; Mandal, Koushik; Kundu, Somenath; Hossain, Maidul; Saha, Indrajit; Lee, Chang-Hee","Submicromolar fluorescence 'turn-on' detection of fluoride anions using <i>meso</i>-(tetra-aryl) calix[4]pyrrole.","Organic & biomolecular chemistry","2025","23","5","1209","1214","10.1039/d4ob01708k","","","0.71073","MoKα","","0.081","0.0523","","","0.1224","0.1347","","","","","","1.05","","","","has coordinates,has disorder","299078","2025-04-05","03:59:13",""
"7160299","15.5418","0.0006","15.5418","0.0006","19.8506","0.0011","90","","90","","90","","4794.9","0.4","281","2","281","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C56 H60 F5 N5 -","- C56 H60 F5 N5 -","- C224 H240 F20 N20 -","4","0.25","","Roy, Anik; Dutta, Ranjan; Halder, Dibakar; Mandal, Koushik; Kundu, Somenath; Hossain, Maidul; Saha, Indrajit; Lee, Chang-Hee","Submicromolar fluorescence 'turn-on' detection of fluoride anions using <i>meso</i>-(tetra-aryl) calix[4]pyrrole.","Organic & biomolecular chemistry","2025","23","5","1209","1214","10.1039/d4ob01708k","","x-ray","0.71073","MoKα","","0.1422","0.128","","","0.2655","0.2732","","","","","","1.226","","","","has coordinates,has disorder","299078","2025-04-05","03:59:14",""
"7160300","9.6024","0.0003","17.3934","0.0005","12.9275","0.0004","90","","91.642","0.001","90","","2158.24","0.11","281","2","281","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C49 H44 Cs F5 N4 O -","- C49 H44 Cs F5 N4 O -","- C98 H88 Cs2 F10 N8 O2 -","2","0.5","","Roy, Anik; Dutta, Ranjan; Halder, Dibakar; Mandal, Koushik; Kundu, Somenath; Hossain, Maidul; Saha, Indrajit; Lee, Chang-Hee","Submicromolar fluorescence 'turn-on' detection of fluoride anions using <i>meso</i>-(tetra-aryl) calix[4]pyrrole.","Organic & biomolecular chemistry","2025","23","5","1209","1214","10.1039/d4ob01708k","","x-ray","0.71073","MoKα","","0.1383","0.0722","","","0.1424","0.1612","","","","","","1.075","","","","has coordinates","299078","2025-04-05","03:59:24",""
"7160301","9.3994","0.0003","9.7222","0.0004","11.2104","0.0005","73.502","0.002","71.94","0.002","84.606","0.002","933.85","0.07","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H40 F4 N4 -","- C48 H40 F4 N4 -","- C48 H40 F4 N4 -","1","0.5","","Roy, Anik; Dutta, Ranjan; Halder, Dibakar; Mandal, Koushik; Kundu, Somenath; Hossain, Maidul; Saha, Indrajit; Lee, Chang-Hee","Submicromolar fluorescence 'turn-on' detection of fluoride anions using <i>meso</i>-(tetra-aryl) calix[4]pyrrole.","Organic & biomolecular chemistry","2025","23","5","1209","1214","10.1039/d4ob01708k","","x-ray","0.71073","MoKα","","0.0603","0.0414","","","0.1028","0.1097","","","","","","1.078","","","","has coordinates","299078","2025-04-05","03:59:24",""
"7160302","25.991","0.0019","14.306","0.0011","14.7845","0.0011","90","","94.361","0.002","90","","5481.4","0.7","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H54 O12 S -","- C55 H54 O12 S -","- C220 H216 O48 S4 -","4","1","","Zhang, Enfu; Ma, Da; Zhu, Chenghao","Glyoxylic acid monohydrate promoted reductive addition of sodium sulfinates to pillar[4]arene[1]quinone.","Organic & biomolecular chemistry","2025","23","5","1146","1149","10.1039/d4ob01908c","","","1.34139","GaKα","","0.0431","0.0391","","","0.1071","0.1099","","","","","","1.028","","","","has coordinates","299077","2025-04-05","03:58:55",""
"7160303","4.4993","0.0014","15.165","0.004","19.844","0.006","90","","96.395","0.01","90","","1345.6","0.7","189.68","","189.68","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C60 H56 O12 S4 -","4","1","","Duari, Surajit; Maity, Srabani; Biswas, Subrata; Roy, Arnab; Elsharif, Asma M.; Biswas, Srijit","H<sub>3</sub>PO<sub>3</sub> promoted reactions of thioamides with 2-substituted benzyl alcohols.","Organic & biomolecular chemistry","2025","23","6","1418","1424","10.1039/d4ob01560f","","","0.71073","MoKα","","0.0518","0.0411","","","0.0933","0.1009","","","","","","1.058","","","","has coordinates","299104","2025-04-05","04:05:29",""
"7160304","11.4323","0.0018","15.08","0.002","10.6793","0.0016","90","","116.703","0.004","90","","1644.7","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N O P -","- C19 H18 N O P -","- C76 H72 N4 O4 P4 -","4","1","","Wang, Zhenzhen; Huang, Lihua; Huang, Rui; Wang, Juan; Cheng, Chunru","Selenium-assisted copper-catalyzed synthesis of phosphoramide from secondary phosphine oxide involving the construction of N-P bonds.","Organic & biomolecular chemistry","2025","23","6","1320","1324","10.1039/d4ob01860e","","","0.71073","MoKα","","0.0948","0.0531","","","0.1284","0.1625","","","","","","1.104","","","","has coordinates","299100","2025-04-05","04:04:47",""
"7160305","7.8995","0.0001","10.5371","0.0002","21.3743","0.0003","90","","90","","90","","1779.15","0.05","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","adduct_6i","","- C20 H16 Br N3 O2 -","- C20 H16 Br N3 O2 -","- C80 H64 Br4 N12 O8 -","4","1","","Liu, Qian; Yoshikawa, Isao; Okuyama, Kohsaku; Kudo, Kazuaki","Asymmetric synthesis of spiro[oxindole-3,2'-pyrrolidine]s through organocatalytic 1,3-dipolar cycloaddition <i>via</i> cycloreversion of precursor isatinimine homodimers.","Organic & biomolecular chemistry","2025","23","5","1098","1103","10.1039/d4ob01727g","","","1.54184","CuKα","","0.0258","0.0248","","","0.067","0.0673","","","","","","1.127","","","","has coordinates","299079","2025-04-05","03:59:32",""
"7160306","6.475","0.0003","8.0563","0.0004","27.3771","0.0014","90","","92.317","0.003","90","","1426.95","0.12","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O4 -","- C19 H12 O4 -","- C76 H48 O16 -","4","1","","Begum, Shahnaz; Kashameni, Sravani; Sridhar, Balasubramanian; Atmakur, Krishnaiah; Bhimapaka, China Raju","Synthesis of pyrano[3,2-<i>c</i>]chromene-2,5-diones from 4-hydroxycoumarins and aminocrotonates under solvent-free conditions.","Organic & biomolecular chemistry","2025","23","6","1443","1447","10.1039/d4ob01800a","","","0.71073","MoKα","","0.0821","0.0455","","","0.1066","0.1266","","","","","","1.029","","","","has coordinates","299107","2025-04-05","04:06:05",""
"7160307","12.74","0.003","7.5412","0.0012","12.056","0.004","90","","109.42","0.03","90","","1092.4","0.5","292.99","0.1","292.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Br F N O2 -","- C10 H11 Br F N O2 -","- C40 H44 Br4 F4 N4 O8 -","4","1","","Zhou, Yazheng; He, Yutong; Huang, Huawen; Deng, Guo-Jun","Visible-light-induced aerobic oxidative cyclization of nitroarenes with triethylamine using an organophotocatalyst.","Organic & biomolecular chemistry","2025","23","6","1338","1341","10.1039/d4ob01714e","","x-ray","0.71073","MoKα","","0.1695","0.0777","","","0.1738","0.2287","","","","","","0.952","","","","has coordinates,has disorder","299101","2025-04-05","04:04:53",""
"7160308","6.7358","0.0007","7.5353","0.0008","17.13","0.002","90","","96.944","0.013","90","","863.08","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H15 F N2 S -","- C22 H15 F N2 S -","- C44 H30 F2 N4 S2 -","2","1","","Deng, Yupian; Qian, Yuhao; Huang, Jiaqi; Sun, Zhudi; Zhuge, Ronghua; Huang, Qingchun; Cao, Song","Tunable base-controlled chemoselective synthesis of trifluoromethyl-containing <i>N</i>-substituted benzimidazole-2-thiones and monofluorinated 4<i>H</i>-benzo[4,5]imidazo[2,1-<i>b</i>][1,3]thiazine.","Organic & biomolecular chemistry","2025","23","7","1588","1595","10.1039/d4ob01999g","","x-ray","0.71073","MoKα","","0.0663","0.0474","","","0.086","0.096","","","","","","1.039","","","","has coordinates","299116","2025-04-05","04:08:06",""
"7160309","9.8048","0.0011","9.9049","0.0012","18.453","0.003","78.756","0.011","87.061","0.01","87.682","0.009","1754.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 F3 N S2 -","- C18 H16 F3 N S2 -","- C72 H64 F12 N4 S8 -","4","2","","Deng, Yupian; Qian, Yuhao; Huang, Jiaqi; Sun, Zhudi; Zhuge, Ronghua; Huang, Qingchun; Cao, Song","Tunable base-controlled chemoselective synthesis of trifluoromethyl-containing <i>N</i>-substituted benzimidazole-2-thiones and monofluorinated 4<i>H</i>-benzo[4,5]imidazo[2,1-<i>b</i>][1,3]thiazine.","Organic & biomolecular chemistry","2025","23","7","1588","1595","10.1039/d4ob01999g","","x-ray","0.71073","MoKα","","0.115","0.06","","","0.0905","0.1111","","","","","","1.02","","","","has coordinates","299116","2025-04-05","04:08:06",""
"7160310","10.1345","0.0003","8.3361","0.0003","15.3383","0.0004","90","","93.54","0.003","90","","1293.34","0.07","130","2","130","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C8 H6 O1.5 S0.5 -","- C8 H6 O1.5 S0.5 -","- C64 H48 O12 S4 -","8","1","","Chang, Meng-Yang; Lin, Chun-Yi","Construction of diaryl oxacyclic sulfones <i>via</i> Bi(OTf)<sub>3</sub>-catalyzed intramolecular cyclocondensation of 1,3-diaroylsulfones.","Organic & biomolecular chemistry","2025","23","7","1662","1672","10.1039/d4ob01916d","","x-ray","0.71073","MoKα","","0.0361","0.0338","","","0.0882","0.0897","","","","","","1.061","","","","has coordinates","299114","2025-04-05","04:07:21",""
"7160311","7.3209","0.0004","11.0345","0.0005","16.7334","0.0009","90","","90","","90","","1351.77","0.12","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi","Construction of diaryl oxacyclic sulfones <i>via</i> Bi(OTf)<sub>3</sub>-catalyzed intramolecular cyclocondensation of 1,3-diaroylsulfones.","Organic & biomolecular chemistry","2025","23","7","1662","1672","10.1039/d4ob01916d","","x-ray","0.71073","MoKα","","0.109","0.0731","","","0.1183","0.1271","","","","","","1.133","","","","has coordinates","299114","2025-04-05","04:07:34",""
"7160312","8.4471","0.0003","10.912","0.0004","17.0111","0.0006","90","","101.652","0.004","90","","1535.68","0.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Br2 O3 S -","- C16 H10 Br2 O3 S -","- C64 H40 Br8 O12 S4 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi","Construction of diaryl oxacyclic sulfones <i>via</i> Bi(OTf)<sub>3</sub>-catalyzed intramolecular cyclocondensation of 1,3-diaroylsulfones.","Organic & biomolecular chemistry","2025","23","7","1662","1672","10.1039/d4ob01916d","","x-ray","0.71073","MoKα","","0.0601","0.0432","","","0.094","0.0994","","","","","","1.079","","","","has coordinates","299114","2025-04-05","04:07:34",""
"7160313","10.4911","0.0001","17.9817","0.0002","17.813","0.0002","90","","102.399","0.001","90","","3282.01","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O3 S -","- C18 H20 O3 S -","- C144 H160 O24 S8 -","8","2","","Chang, Meng-Yang; Lin, Chun-Yi","Construction of diaryl oxacyclic sulfones <i>via</i> Bi(OTf)<sub>3</sub>-catalyzed intramolecular cyclocondensation of 1,3-diaroylsulfones.","Organic & biomolecular chemistry","2025","23","7","1662","1672","10.1039/d4ob01916d","","x-ray","1.54184","CuKα","","0.0548","0.0475","","","0.1201","0.1248","","","","","","1.049","","","","has coordinates","299114","2025-04-05","04:07:34",""
"7160314","5.1263","0.0001","10.4781","0.0003","12.0133","0.0003","90","","98.138","0.002","90","","638.78","0.03","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H20 N2 O2 -","- C11 H20 N2 O2 -","- C22 H40 N4 O4 -","2","1","","Shang, Minghao; He, Junming; Gardiner, Michael G.; Nitsche, Christoph","Biocompatible synthesis of macrocyclic thiazole peptides from chiral α-amino nitriles.","Organic & biomolecular chemistry","2025","23","43","9815","9818","10.1039/d4ob01989j","","x-ray","1.54184","CuKα","","0.0492","0.0464","","","0.1251","0.1284","","","","","","1.048","","","","has coordinates","303922","2025-11-29","22:05:37",""
"7160315","15.316","0.004","18.777","0.006","21.258","0.006","104.191","0.007","108.995","0.012","106.901","0.009","5126","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H78 Ca3 Cl6 N6 O36 S12 -","- C90 H78 Ca3 Cl6 N6 O36 S12 -","- C180 H156 Ca6 Cl12 N12 O72 S24 -","2","1","","Roy, Subhra Kanti; Moser, Sandra; Dürr-Mayer, Tobias; Hinkelmann, Rahel; Jessen, Henning J.","ESIPT fluorescence turn-on sensors for detection of short chain inorganic polyphosphate in water.","Organic & biomolecular chemistry","2025","23","6","1373","1379","10.1039/d4ob01926a","","x-ray","0.71073","MoKα","","0.1101","0.0548","","","0.1319","0.1605","","","","","","1.011","","","","has coordinates,has disorder","299099","2025-04-05","04:04:41",""
"7160316","19.36","0.006","8.134","0.002","18.684","0.005","90","","92.357","0.006","90","","2939.8","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 Na2 O13 S2 -","- C27 H24 N2 Na2 O13 S2 -","- C108 H96 N8 Na8 O52 S8 -","4","1","","Roy, Subhra Kanti; Moser, Sandra; Dürr-Mayer, Tobias; Hinkelmann, Rahel; Jessen, Henning J.","ESIPT fluorescence turn-on sensors for detection of short chain inorganic polyphosphate in water.","Organic & biomolecular chemistry","2025","23","6","1373","1379","10.1039/d4ob01926a","","x-ray","0.71073","MoKα","","0.043","0.034","","","0.0819","0.0873","","","","","","1.041","","","","has coordinates","299099","2025-04-05","04:04:41",""
"7160317","14.4662","0.0005","21.9361","0.0007","15.0299","0.0005","90","","90","","90","","4769.5","0.3","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","Aea2","","- C23 H31 Al N2 O4 -","- C23 H31 Al N2 O4 -","- C184 H248 Al8 N16 O32 -","8","1","","Yan, Wenliang; Ma, Xiaoli; Li, Qifeng; Pang, Ziyuan; Yang, Xiaobo; Chen, Yiwen; Yang, Zhi","Aluminum-catalyzed anti-Markovnikov hydroamination of aromatic alkenes with aromatic amines.","Organic & biomolecular chemistry","2025","23","6","1347","1353","10.1039/d4ob01820f","","","0.71073","MoKα","","0.0519","0.041","","","0.1017","0.1054","","","","","","1.067","","","","has coordinates","299102","2025-04-05","04:04:59",""
"7160318","6.1434","0.0001","10.1986","0.0002","11.1002","0.0002","90","","94.627","0.001","90","","693.21","0.02","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","PR-9","","- C15 H15 N O5 -","- C15 H15 N O5 -","- C30 H30 N2 O10 -","2","1","","Gao, Xin-Hua; Zhou, Bin; Zimbres, Flavia M.; Zhang, Zai-Yong; Cassera, Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Spirocyclic iridoid alkaloids from <i>Plumeria rubra</i>.","Organic & biomolecular chemistry","2025","23","4","960","966","10.1039/d4ob01870b","","","1.54178","CuKα","","0.0298","0.0294","","","0.074","0.0745","","","","","","1.053","","","","has coordinates","299087","2025-04-05","04:00:50",""
"7160319","6.9407","0.0004","23.6776","0.0012","8.0529","0.0005","90","","91.765","0.002","90","","1322.78","0.13","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C60 H52 N4 O20 -","4","2","","Gao, Xin-Hua; Zhou, Bin; Zimbres, Flavia M.; Zhang, Zai-Yong; Cassera, Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Spirocyclic iridoid alkaloids from <i>Plumeria rubra</i>.","Organic & biomolecular chemistry","2025","23","4","960","966","10.1039/d4ob01870b","","","1.34139","GaKα","","0.027","0.0268","","","0.0742","0.0744","","","","","","1.031","","","","has coordinates","299087","2025-04-05","04:00:50",""
"7160320","8.381","0.0004","16.4425","0.0007","20.4203","0.0008","90","","90","","90","","2814","0.2","240","","240","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N O5 -","- C15 H14 N O5 -","- C120 H112 N8 O40 -","8","2","","Gao, Xin-Hua; Zhou, Bin; Zimbres, Flavia M.; Zhang, Zai-Yong; Cassera, Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Spirocyclic iridoid alkaloids from <i>Plumeria rubra</i>.","Organic & biomolecular chemistry","2025","23","4","960","966","10.1039/d4ob01870b","","","1.54178","CuKα","","0.0523","0.0454","","","0.125","0.1335","","","","","","1.079","","","","has coordinates","299087","2025-04-05","04:00:50",""
"7160321","8.4661","0.0002","8.8867","0.0002","15.5541","0.0004","90","","90","","90","","1170.22","0.05","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Gao, Xin-Hua; Zhou, Bin; Zimbres, Flavia M.; Zhang, Zai-Yong; Cassera, Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Spirocyclic iridoid alkaloids from <i>Plumeria rubra</i>.","Organic & biomolecular chemistry","2025","23","4","960","966","10.1039/d4ob01870b","","","1.54178","CuKα","","0.0298","0.029","","","0.0781","0.079","","","","","","1.095","","","","has coordinates","299087","2025-04-05","04:00:50",""
"7160322","7.16669","0.00007","13.97128","0.00011","14.98548","0.00011","90","","90","","90","","1500.46","0.02","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Wang, Qiang; Pan, Ya-Lin; Liang, Ren-Xiao; Hu, Yuan-Yuan; Jia, Yi-Xia","Synthesis of 3-propargyl isoindolinones by Pd/Cu-catalyzed enantioselective Heck/Sonogashira reaction of enamides.","Organic & biomolecular chemistry","2025","23","5","1073","1077","10.1039/d4ob01881h","","x-ray","1.54184","CuKα","","0.0277","0.0273","","","0.0685","0.0688","","","","","","1.075","","","","has coordinates","299076","2025-04-05","03:58:48",""
"7160323","11.7842","0.0013","10.2201","0.0011","19.2","0.002","90","","93.221","0.004","90","","2308.7","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N O5 S -","- C26 H27 N O5 S -","- C104 H108 N4 O20 S4 -","4","1","","Le Roch, Myriam; Gouault, Nicolas; Renault, Jacques; Argouarch, Gilles; Roisnel, Thierry; Banik, Swarnayu; Subba Reddy, B. V.; Lalli, Claudia","Synthesis of 4-hydroxypiperidines containing a quaternary stereocenter by aza-Prins cyclization.","Organic & biomolecular chemistry","2025","23","7","1644","1652","10.1039/d4ob01807a","","x-ray","0.71073","MoKα","","0.0403","0.0363","","","0.095","0.098","","","","","","1.041","","","","has coordinates","299115","2025-04-05","04:07:41",""
"7160331","13.0522","0.0013","7.5876","0.0012","28.44","0.004","90","","90","","90","","2816.6","0.7","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N8 S -","- C11 H14 N8 S -","- C88 H112 N64 S8 -","8","1","","Bersneva, Eva V.; Savateev, Konstantin V.; Slepukhin, Pavel A.; Melekhin, Vsevolod V.; Tokhtueva, Maria D.; Rusinov, Vladimir L.","Pyrimido[5,4-<i>e</i>]azolo[1,5-<i>a</i>]pyrimidines and pyrimido[4,5-<i>e</i>][1,2,4]triazolo[5,1-<i>c</i>][1,2,4]triazines: <i>one-pot</i> multi-component synthesis and cytotoxic activity.","Organic & biomolecular chemistry","2025","23","8","1945","1960","10.1039/d4ob01853b","","x-ray","0.71073","MoKα","","0.1891","0.0828","","","0.2002","0.267","","","","","","0.999","","","","has coordinates","299072","2025-04-05","03:58:22",""
"7160332","12.1942","0.0006","18.9173","0.0008","13.9396","0.0007","90","","95.265","0.004","90","","3202","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 O11 -","- C36 H38 O11 -","- C144 H152 O44 -","4","1","","Fan, Shi-Ying; Hong, Li-Hong; Wang, Yu-Xia; Zhu, Jiang-Min; Feng, Zi-Tong; Vu, Van-Tuan; Kong, Ling-Yi; Luo, Jian-Guang","Lignan-phloroglucinol hybrids with an unprecedented beadlike core from the leaves of <i>Melicope chunii</i>.","Organic & biomolecular chemistry","2025","23","8","1858","1865","10.1039/d4ob02003k","","x-ray","1.54178","CuKα","","0.0983","0.0702","","","0.1696","0.1957","","","","","","1.072","","","","has coordinates,has disorder","299074","2025-04-05","03:58:36",""
"7160333","10.5584","0.0005","11.0468","0.0007","29.269","0.0017","90","","90","","90","","3413.8","0.3","233","","233","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 O12 -","- C36 H40 O12 -","- C144 H160 O48 -","4","1","","Fan, Shi-Ying; Hong, Li-Hong; Wang, Yu-Xia; Zhu, Jiang-Min; Feng, Zi-Tong; Vu, Van-Tuan; Kong, Ling-Yi; Luo, Jian-Guang","Lignan-phloroglucinol hybrids with an unprecedented beadlike core from the leaves of <i>Melicope chunii</i>.","Organic & biomolecular chemistry","2025","23","8","1858","1865","10.1039/d4ob02003k","","","1.54178","CuKα","","0.0929","0.0728","","","0.1954","0.2167","","","","","","1.008","","","","has coordinates","299074","2025-04-05","03:58:36",""
"7160334","26.44","0.002","7.9493","0.0007","15.9676","0.0013","90","","107.736","0.001","90","","3196.5","0.5","293.15","0.1","293.15","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Yuan, Lili; Wang, Jie; Tang, Qiang; Wang, Yiping; Ma, Beibei; Shang, Yongjia; He, Xinwei","DBU-catalyzed annulation strategy for modular assembly of 2,3-difunctionalized dihydrobenzofurans.","Organic & biomolecular chemistry","2025","23","8","1832","1836","10.1039/d4ob01406e","","x-ray","0.71073","MoKα","","0.0584","0.0471","","","0.135","0.1464","","","","","","1.052","","","","has coordinates","299075","2025-04-05","03:58:43",""
"7160335","5.8739","0.0002","12.2152","0.0006","25.4655","0.0013","90","","90","","90","","1827.17","0.14","297.5","0.4","297.5","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 N4 S -","- C22 H16 N4 S -","- C88 H64 N16 S4 -","4","1","","Gorachand, Badaraita; Lakshmi, Pandhiti R.; Ramachary, Dhevalapally B.","Direct organocatalytic chemoselective synthesis of pharmaceutically active benzothiazole/benzoxazole-triazoles.","Organic & biomolecular chemistry","2025","23","9","2142","2152","10.1039/d4ob01527d","","x-ray","0.71073","MoKα","","0.0947","0.0557","","","0.0896","0.1083","","","","","","0.907","","","","has coordinates","299117","2025-04-05","04:08:13",""
"7160336","6.334","0.0002","12.0464","0.0005","26.3054","0.001","90","","90","","90","","2007.15","0.13","295.3","0.5","295.3","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 F3 N4 S -","- C23 H15 F3 N4 S -","- C92 H60 F12 N16 S4 -","4","1","","Gorachand, Badaraita; Lakshmi, Pandhiti R.; Ramachary, Dhevalapally B.","Direct organocatalytic chemoselective synthesis of pharmaceutically active benzothiazole/benzoxazole-triazoles.","Organic & biomolecular chemistry","2025","23","9","2142","2152","10.1039/d4ob01527d","","x-ray","0.71073","MoKα","","0.0754","0.0642","","","0.1845","0.195","","","","","","1.099","","","","has coordinates","299117","2025-04-05","04:08:13",""
"7160337","15.1533","0.0019","9.0554","0.0011","15.2139","0.0019","90","","115.586","0.003","90","","1882.9","0.4","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","1","","Yilmaz, Elif Serel; Kaya, Kerem; Zora, Metin","Facile synthesis of unknown 6,7-dihydrofuro[3,4-<i>c</i>]pyridines and 3,4-diaryloylpyridines from <i>N</i>-homopropargylic β-enaminones.","Organic & biomolecular chemistry","2025","23","9","2133","2141","10.1039/d4ob01884b","","","0.71073","MoKα","","0.14","0.0588","","","0.104","0.1302","","","","","","1.094","","","","has coordinates","299123","2025-04-05","04:09:36",""
"7160338","5.1617","0.0001","9.9928","0.0003","19.9937","0.0005","86.035","0.002","83.345","0.002","80.582","0.002","1009.19","0.04","299","","299","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C40 H64 O8 -","2","1","","Ashok, Etikala; Lakshmi, Pandhiti R.; Sanwal, Shyam D.; Ramachary, Dhevalapally B.","High-yielding total synthesis of embelin, rapanone, and irisoquin A, D, F.","Organic & biomolecular chemistry","2025","23","9","2195","2205","10.1039/d4ob01706d","","x-ray","0.71073","MoKα","","0.1136","0.0657","","","0.2025","0.2476","","","","","","1.034","","","","has coordinates","299124","2025-04-05","04:09:54",""
"7160339","11.8728","0.0003","13.25","0.0003","14.9033","0.0004","91.03","0.002","102.388","0.002","112.335","0.002","2105.24","0.1","104","5","104","5","","","","","","","","5","P -1","-P 1","2","","","","- C51 H46 N6 O8 S -","- C51 H46 N6 O8 S -","- C102 H92 N12 O16 S2 -","2","1","","Wang, Zizhen; Wang, Huanhuan; Xu, Mei; Wang, Liping; Liu, Sheng","Unexpected amine-triggered skeletal modification of fascaplysin and its derivatives: rapid access to δ,γ-biscarbolines.","Organic & biomolecular chemistry","2025","23","9","2096","2100","10.1039/d4ob02014f","","x-ray","1.54184","CuKα","","0.0894","0.0544","","","0.1326","0.1417","","","","","","1.062","","","","has coordinates","299125","2025-04-05","04:10:13",""
"7160340","9.4804","0.0002","10.7171","0.0003","14.9246","0.0005","90","","90","","90","","1516.38","0.07","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H10 F6 N2 O -","- C16 H10 F6 N2 O -","- C64 H40 F24 N8 O4 -","4","1","","Kong, Yanyan; Gong, Ming; Xu, Xuemei; Wu, Yangjie; Jiang, Xingmao","An efficient direct electrolysis method for the synthesis of 1,1,1,3,3,3-hexafluoroisopropyxy substituted imidazo[1,2-<i>a</i>]pyridines.","Organic & biomolecular chemistry","2025","23","9","2190","2194","10.1039/d4ob02073a","","x-ray","1.54184","CuKα","","0.0491","0.0399","","","0.1016","0.1102","","","","","","1.053","","","","has coordinates","299120","2025-04-05","04:08:53",""
"7160341","13.9306","0.0003","15.1094","0.0003","15.4146","0.0003","64.644","0.002","82.453","0.002","80.303","0.002","2883.67","0.11","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H34 N10 O12 -","- C23 H34 N10 O12 -","- C92 H136 N40 O48 -","4","2","","Sultanova, Elza D.; Bogdanov, Ilshat M.; Gromova, Nadezhda I.; Astrakhantseva, Anna V.; Kapralov, Mikhail A.; Nizamutdinov, Alexey S.; Mukhametzyanov, Timur A.; Islamov, Daut R.; Usachev, Konstantin S.; Serov, Nikita Y.; Burilov, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.","Synthesis of zwitterionic asymmetric and symmetric carboxy-imidazolium derivatives and their use in molecular interactions with bovine serum albumin.","Organic & biomolecular chemistry","2025","23","8","1981","1994","10.1039/d4ob01685h","","x-ray","1.54184","CuKα","","0.0511","0.0441","","","0.125","0.1287","","","","","","1.069","","","","has coordinates","299073","2025-04-05","03:58:28",""
"7160342","10.36591","0.00011","16.76936","0.00019","21.6439","0.0002","90","","90","","90","","3762.35","0.07","200.03","0.1","200.03","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H29 Cl N2 O Se2 -","- C35 H29 Cl N2 O Se2 -","- C140 H116 Cl4 N8 O4 Se8 -","4","1","","Zhou, Jing; Sheng, Xue; Jiang, Man; Cui, Hai-Lei","FeCl<sub>3</sub>-catalyzed oxidative diselenylation of pyrrole-tethered indoles.","Organic & biomolecular chemistry","2025","23","9","2254","2262","10.1039/d4ob01929f","","x-ray","1.54184","CuKα","","0.0319","0.0286","","","0.0675","0.0691","","","","","","0.958","","","","has coordinates","299119","2025-04-05","04:08:46",""
"7160343","9.712","0.0003","9.712","0.0003","50.789","0.003","90","","90","","90","","4790.6","0.4","153.15","","153.15","","","","","","","","","5","P 41","P 4w","76","","","","- C29 H26 N2 O2 Se -","- C29 H26 N2 O2 Se -","- C232 H208 N16 O16 Se8 -","8","2","","Zhou, Jing; Sheng, Xue; Jiang, Man; Cui, Hai-Lei","FeCl<sub>3</sub>-catalyzed oxidative diselenylation of pyrrole-tethered indoles.","Organic & biomolecular chemistry","2025","23","9","2254","2262","10.1039/d4ob01929f","","","1.54178","CuKα","","0.1032","0.0947","","","0.2311","0.2391","","","","","","1.114","","","","has coordinates","299119","2025-04-05","04:08:47",""
"7160344","26.52","0.05","17.03","0.03","15.65","0.04","90","","124.81","0.05","90","","5803","2","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 F3 N3 -","- C16 H14 F3 N3 -","- C256 H224 F48 N48 -","16","2","","Guo, Xiaoshuang; Zhao, Peng; Jiang, Chengjun; Ma, Yongmin; Miao, Maozhong","Atmospheric oxygen mediated oxidation coupling of primary and secondary alcohols: synthesis of pyrazolo[1,5-<i>a</i>]pyrimidines.","Organic & biomolecular chemistry","2025","23","9","2092","2095","10.1039/d4ob02045f","","","0.71073","MoKα","","0.1021","0.0513","","","0.123","0.1485","","","","","","1.016","","","","has coordinates,has disorder","299121","2025-04-05","04:09:05",""
"7160345","8.8296","0.0004","23.8348","0.0013","12.1335","0.0007","90","","109.541","0.002","90","","2406.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Cl N2 O6 -","- C24 H19 Cl N2 O6 -","- C96 H76 Cl4 N8 O24 -","4","1","","Lotfi Nosood, Yazdanbakhsh; Fattahi Ghahnavieh, Negin; Takallou, Ahmad; Rostami, Ali; Ebrahimi, Amirhossein; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Microwave-assisted [3 + 2] cycloaddition reactions of dicyanoepoxides with benzylidene Meldrum's acids.","Organic & biomolecular chemistry","2025","23","17","4084","4089","10.1039/d4ob01702a","","x-ray","0.71073","MoKα","","0.1126","0.0676","","","0.1461","0.1804","","","","","","1.065","","","","has coordinates,has disorder","301117","2025-07-06","17:49:24",""
"7160346","10.7433","0.0004","11.4423","0.0005","11.6498","0.0005","115.418","0.001","104.594","0.002","105.643","0.002","1128.77","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O5 -","- C25 H20 N2 O5 -","- C50 H40 N4 O10 -","2","1","","Lotfi Nosood, Yazdanbakhsh; Fattahi Ghahnavieh, Negin; Takallou, Ahmad; Rostami, Ali; Ebrahimi, Amirhossein; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Microwave-assisted [3 + 2] cycloaddition reactions of dicyanoepoxides with benzylidene Meldrum's acids.","Organic & biomolecular chemistry","2025","23","17","4084","4089","10.1039/d4ob01702a","","x-ray","0.71073","MoKα","","0.1046","0.0605","","","0.1611","0.2278","","","","","","1.13","","","","has coordinates","301117","2025-07-06","17:49:24",""
"7160347","7.4892","0.0003","12.0747","0.0005","18.9252","0.001","90","","98.818","0.005","90","","1691.17","0.13","100","0.3","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O5 S -","- C16 H23 N O5 S -","- C64 H92 N4 O20 S4 -","4","1","","DaSilva, Clement; Mauk, Grace; Forshee, Lucas; Pope, Oliver; Doherty, Mathilde; Ongbongan, Max; Lutz, Nicholas; Kamanya, Zemirah; Bhatt, Kara Chris; Braham, Andrew; Kubek, Miranda; Hawthorne, Summer; Campillo-Alvarado, Gonzalo; Bhattacharjee, Avik; Bowring, Miriam A.; O'Brien, Robert V","Chemodivergent synthesis of <i>cis</i>-4-hydroxyprolines from diastereomerically enriched epoxides.","Organic & biomolecular chemistry","2025","23","19","4616","4621","10.1039/d4ob01815j","","","0.71073","MoKα","","0.0779","0.0597","","","0.1715","0.1807","","","","","","1.102","","","","has coordinates","301124","2025-07-06","17:51:33",""
"7160348","11.497","0.0017","20.881","0.003","6.4271","0.0012","90","","90","","90","","1542.9","0.4","99.97","0.16","99.97","0.16","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H19 N O5 S -","- C14 H19 N O5 S -","- C56 H76 N4 O20 S4 -","4","1","","DaSilva, Clement; Mauk, Grace; Forshee, Lucas; Pope, Oliver; Doherty, Mathilde; Ongbongan, Max; Lutz, Nicholas; Kamanya, Zemirah; Bhatt, Kara Chris; Braham, Andrew; Kubek, Miranda; Hawthorne, Summer; Campillo-Alvarado, Gonzalo; Bhattacharjee, Avik; Bowring, Miriam A.; O'Brien, Robert V","Chemodivergent synthesis of <i>cis</i>-4-hydroxyprolines from diastereomerically enriched epoxides.","Organic & biomolecular chemistry","2025","23","19","4616","4621","10.1039/d4ob01815j","","x-ray","0.71073","MoKα","","0.1056","0.0577","","","0.103","0.1127","","","","","","0.983","","","","has coordinates","301124","2025-07-06","17:51:34",""
"7160349","20.066","0.002","5.1482","0.0005","18.0857","0.0018","90","","110.174","0.012","90","","1753.7","0.3","99.8","0.9","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O5 S -","- C16 H23 N O5 S -","- C64 H92 N4 O20 S4 -","4","1","","DaSilva, Clement; Mauk, Grace; Forshee, Lucas; Pope, Oliver; Doherty, Mathilde; Ongbongan, Max; Lutz, Nicholas; Kamanya, Zemirah; Bhatt, Kara Chris; Braham, Andrew; Kubek, Miranda; Hawthorne, Summer; Campillo-Alvarado, Gonzalo; Bhattacharjee, Avik; Bowring, Miriam A.; O'Brien, Robert V","Chemodivergent synthesis of <i>cis</i>-4-hydroxyprolines from diastereomerically enriched epoxides.","Organic & biomolecular chemistry","2025","23","19","4616","4621","10.1039/d4ob01815j","","","0.71073","MoKα","","0.1125","0.0654","","","0.1521","0.1691","","","","","","0.965","","","","has coordinates","301124","2025-07-06","17:51:34",""
"7160350","11.5944","0.0008","11.4209","0.0007","11.4442","0.0006","90","","102.045","0.005","90","","1482.06","0.16","99.97","0.17","99.97","0.17","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O5 S -","- C14 H19 N O5 S -","- C56 H76 N4 O20 S4 -","4","1","","DaSilva, Clement; Mauk, Grace; Forshee, Lucas; Pope, Oliver; Doherty, Mathilde; Ongbongan, Max; Lutz, Nicholas; Kamanya, Zemirah; Bhatt, Kara Chris; Braham, Andrew; Kubek, Miranda; Hawthorne, Summer; Campillo-Alvarado, Gonzalo; Bhattacharjee, Avik; Bowring, Miriam A.; O'Brien, Robert V","Chemodivergent synthesis of <i>cis</i>-4-hydroxyprolines from diastereomerically enriched epoxides.","Organic & biomolecular chemistry","2025","23","19","4616","4621","10.1039/d4ob01815j","","x-ray","0.71073","MoKα","","0.0919","0.0481","","","0.1018","0.1114","","","","","","0.985","","","","has coordinates","301124","2025-07-06","17:51:34",""
"7160351","9.1663","0.0002","10.7506","0.0002","7.6582","0.0002","90","","107.38","0.002","90","","720.21","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 N4 O3 -","- C6 H3 N4 O3 -","- C24 H12 N16 O12 -","4","1","","Tu, Shunqi; Chen, Tiantian; Yuan, Zijian; Wang, Jianchun","A new tetrazine catalytic system for the synthesis of <i>N</i>-aryl-α-arylated glycine ester derivatives.","Organic & biomolecular chemistry","2025","23","10","2450","2455","10.1039/d4ob01993h","","","1.54184","CuKα","","0.0803","0.0746","","","0.2048","0.2122","","","","","","1.163","","","","has coordinates","299060","2025-04-05","03:55:57",""
"7160352","13.1843","0.0014","12.8448","0.0014","6.8879","0.0007","90","","94.584","0.004","90","","1162.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-5-oxo-6-(2-oxo-2-phenylethylidene)-1,4,5,6-tetrahydropyrazine-2,3-dicarbonitrile","","- C14 H8 N4 O2 -","- C14 H8 N4 O2 -","- C56 H32 N16 O8 -","4","1","","Mamedov, Vakhid A.; Galimullina, Venera R.; Qu, Zheng-Wang; Zhu, Hui; Syakaev, Victor V.; Nikolaeva, Dariya V.; Rizvanov, Il'dar Kh; Gubaidullin, Aidar T.; Sinyashin, Oleg G.; Grimme, Stefan","ANRORC type rearrangement/intermolecular cyclocondensation cascade of 5,6-dicyano-3-(2-oxo-2-ethyl)pyrazin-2(1<i>H</i>)-ones with hydrazine hydrate for the synthesis of 2-(pyrazol-3-yl)imidazo[4,5-<i>d</i>]pyridazines.","Organic & biomolecular chemistry","2025","23","9","2180","2189","10.1039/d4ob01911c","","","0.71073","MoKα","","0.1033","0.0986","","","0.2134","0.2157","","","","","","1.17","","","","has coordinates","299122","2025-04-05","04:09:19",""
"7160353","13.4925","0.0009","8.4402","0.0005","20.7218","0.0014","90","","103.011","0.003","90","","2299.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,8-Diamino-5?-phenyl-1,4?-dihydrospiro[pyrazino[2,3-d]pyridazine-2,3?-pyrazol]-3(4H)-one","","- C20 H28 N10 O3 -","- C20 H28 N10 O3 -","- C80 H112 N40 O12 -","4","1","","Mamedov, Vakhid A.; Galimullina, Venera R.; Qu, Zheng-Wang; Zhu, Hui; Syakaev, Victor V.; Nikolaeva, Dariya V.; Rizvanov, Il'dar Kh; Gubaidullin, Aidar T.; Sinyashin, Oleg G.; Grimme, Stefan","ANRORC type rearrangement/intermolecular cyclocondensation cascade of 5,6-dicyano-3-(2-oxo-2-ethyl)pyrazin-2(1<i>H</i>)-ones with hydrazine hydrate for the synthesis of 2-(pyrazol-3-yl)imidazo[4,5-<i>d</i>]pyridazines.","Organic & biomolecular chemistry","2025","23","9","2180","2189","10.1039/d4ob01911c","","","0.71073","MoKα","","0.1777","0.1221","","","0.2046","0.2222","","","","","","1.173","","","","has coordinates","299122","2025-04-05","04:09:20",""
"7160354","24.826","0.003","10.5319","0.0013","16.192","0.002","90","","117.179","0.004","90","","3766.2","0.8","162","2","162","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(5-Phenyl-1H-pyrazol-3-yl)-5H-imidazo[4,5-d]pyridazine-4,7-diamine hydrate","","- C17 H20 N9 O1.5 -","- C17 H20 N9 O1.5 -","- C136 H160 N72 O12 -","8","1","","Mamedov, Vakhid A.; Galimullina, Venera R.; Qu, Zheng-Wang; Zhu, Hui; Syakaev, Victor V.; Nikolaeva, Dariya V.; Rizvanov, Il'dar Kh; Gubaidullin, Aidar T.; Sinyashin, Oleg G.; Grimme, Stefan","ANRORC type rearrangement/intermolecular cyclocondensation cascade of 5,6-dicyano-3-(2-oxo-2-ethyl)pyrazin-2(1<i>H</i>)-ones with hydrazine hydrate for the synthesis of 2-(pyrazol-3-yl)imidazo[4,5-<i>d</i>]pyridazines.","Organic & biomolecular chemistry","2025","23","9","2180","2189","10.1039/d4ob01911c","","","0.71073","MoKα","","0.0613","0.0484","","","0.1318","0.1438","","","","","","1.042","","","","has coordinates","299122","2025-04-05","04:09:29",""
"7160355","8.7193","0.0001","10.1829","0.0001","18.9834","0.0002","90","","90.138","0.001","90","","1685.49","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F3 N2 S -","- C20 H13 F3 N2 S -","- C80 H52 F12 N8 S4 -","4","1","","Kishor, Kaushal; Prabhakar, Neha Sharma; Singh, Krishna Nand","Iodine-mediated regioselective C-3 sulfenylation using elemental sulfur and arylhydrazine hydrochloride to access 3-sulfenylated imidazo[1,2-<i>a</i>]pyridines.","Organic & biomolecular chemistry","2025","23","10","2418","2423","10.1039/d4ob02095b","","x-ray","1.54184","CuKα","","0.0391","0.0355","","","0.0941","0.097","","","","","","1.048","","","","has coordinates,has disorder","299055","2025-04-05","03:55:04",""
"7160356","10.8235","0.0003","15.9748","0.0005","17.4694","0.0005","63.307","0.003","80.7","0.002","87.091","0.002","2662.32","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H38 F6 O8 S4 -","- C56 H36 F6.003 O8 S4 -","- C112 H72 F12.006 O16 S8 -","2","1","","Deng, Junmiao; Lu, Hanwei; Ye, Hebo; Hai, Yu; Liu, Zimu; You, Lei","Precise assembly/disassembly of homo-type and hetero-type macrocycles with photoresponsive and non-photoresponsive dynamic covalent bonds.","Organic & biomolecular chemistry","2025","23","10","2498","2509","10.1039/d5ob00094g","","","0.71073","MoKα","","0.0876","0.0656","","","0.1833","0.1947","","","","","","0.992","","","","has coordinates,has disorder","299061","2025-04-05","03:56:12",""
"7160357","12.5837","0.0003","6.1999","0.0002","13.8988","0.0003","90","","96.444","0.001","90","","1077.5","0.05","306","2","306","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H21 Cl N2 O4 -","- C24 H21 Cl N2 O4 -","- C48 H42 Cl2 N4 O8 -","2","1","","Zhao, Yi-Wen; Wang, Jun-Fei; Xu, Jianrong; Chen, Hongzhuan; Tan, Yun-Xuan; Tian, Ping","Concise asymmetric synthesis of (-)-Bao Gong Teng A <i>via</i> Evans chiral auxiliary-based 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2025","23","10","2370","2374","10.1039/d5ob00014a","","","1.54178","CuKα","","0.0458","0.0372","","","0.0845","0.0902","","","","","","1.056","","","","has coordinates","299056","2025-04-05","03:55:11",""
"7160358","12.6891","0.0004","8.3323","0.0003","13.3055","0.0005","90","","111.156","0.002","90","","1311.97","0.08","301","2","301","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H25 Cl N2 O4 -","- C30 H25 Cl N2 O4 -","- C60 H50 Cl2 N4 O8 -","2","1","","Zhao, Yi-Wen; Wang, Jun-Fei; Xu, Jianrong; Chen, Hongzhuan; Tan, Yun-Xuan; Tian, Ping","Concise asymmetric synthesis of (-)-Bao Gong Teng A <i>via</i> Evans chiral auxiliary-based 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2025","23","10","2370","2374","10.1039/d5ob00014a","","","1.54178","CuKα","","0.0828","0.0528","","","0.14","0.156","","","","","","1.026","","","","has coordinates","299056","2025-04-05","03:55:12",""
"7160359","12.5846","0.0003","6.2016","0.0002","13.8899","0.0004","90","","96.423","0.002","90","","1077.23","0.05","303","2","303","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H21 Cl N2 O4 -","- C24 H21 Cl N2 O4 -","- C48 H42 Cl2 N4 O8 -","2","1","","Zhao, Yi-Wen; Wang, Jun-Fei; Xu, Jianrong; Chen, Hongzhuan; Tan, Yun-Xuan; Tian, Ping","Concise asymmetric synthesis of (-)-Bao Gong Teng A <i>via</i> Evans chiral auxiliary-based 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2025","23","10","2370","2374","10.1039/d5ob00014a","","","1.54178","CuKα","","0.0624","0.0474","","","0.1101","0.121","","","","","","1.041","","","","has coordinates","299056","2025-04-05","03:55:12",""
"7160360","9.52305","0.00017","13.127","0.0002","18.3358","0.0003","84.4953","0.0015","88.2625","0.0015","89.6565","0.0015","2280.51","0.07","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 F4 N6 -","- C23 H26 F4 N6 -","- C92 H104 F16 N24 -","4","2","","Zhou, Yuxiu; Li, Xiaoyong; Liu, Xiaokang; Huang, Danfeng; Wang, Ke-Hu; Wang, Junjiao; Hu, Yulai","Synthesis of di/trifluoromethyl bis(1,2,4-triazoline)spiranes and 1,2,4-triazoles <i>via</i> 1,3-dipolar cycloaddition of nitrilimines and carbodiimides.","Organic & biomolecular chemistry","2025","23","11","2662","2671","10.1039/d4ob01821d","","x-ray","1.54184","CuKα","","0.0466","0.0406","","","0.1054","0.1091","","","","","","1.047","","","","has coordinates","299135","2025-04-05","04:11:50",""
"7160361","6.1731","0.0003","9.5526","0.0005","11.6141","0.0005","90","","96.315","0.004","90","","680.72","0.06","301.22","0.1","301.22","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 F2 N4 -","- C13 H16 F2 N4 -","- C26 H32 F4 N8 -","2","1","","Zhou, Yuxiu; Li, Xiaoyong; Liu, Xiaokang; Huang, Danfeng; Wang, Ke-Hu; Wang, Junjiao; Hu, Yulai","Synthesis of di/trifluoromethyl bis(1,2,4-triazoline)spiranes and 1,2,4-triazoles <i>via</i> 1,3-dipolar cycloaddition of nitrilimines and carbodiimides.","Organic & biomolecular chemistry","2025","23","11","2662","2671","10.1039/d4ob01821d","","x-ray","1.54184","CuKα","","0.0723","0.0686","","","0.1831","0.1899","","","","","","1.044","","","","has coordinates","299135","2025-04-05","04:11:50",""
"7160362","10.675","0.0004","16.8487","0.0005","21.2526","0.0007","90","","95.754","0.003","90","","3803.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H48 N2 O8 Rh2 -","- C35 H48 N2 O8 Rh2 -","- C140 H192 N8 O32 Rh8 -","4","1","","Youssef-Saliba, Sparta; Mayet, Clémentine; Elslande, Elsa Van; Le Goff, Géraldine; Betzer, Jean-François","Efficient Piancatelli rearrangement of HMF derivatives under microwave activation or subcritical water conditions to produce functionalized hydroxylated cyclopentenones.","Organic & biomolecular chemistry","2025","23","11","2683","2690","10.1039/d4ob01899k","","x-ray","0.71073","MoKα","","0.0314","0.0252","","","0.0588","0.0624","","","","","","1.072","","","","has coordinates","299130","2025-04-05","04:11:01",""
"7160363","22.0552","0.0003","5.67162","0.00007","22.7509","0.0003","90","","98.7926","0.0012","90","","2812.44","0.06","293","2","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1","","- C14 H20 O3 S -","- C14 H20 O3 S -","- C112 H160 O24 S8 -","8","1","","Wu, Mingzhong; Wang, Yaru; Lv, Xin; Ma, Zhengxian; Sheng, Xiaojing; Wang, Mengjie; Zhang, Yalin; An, Zhenyu; Wang, Xuekun","Direct α-C-H alkylation of alcohols <i>via</i> photoinduced hydrogen atom transfer.","Organic & biomolecular chemistry","2025","23","10","2365","2369","10.1039/d4ob01874e","","x-ray","1.54184","CuKα","","0.0478","0.0453","","","0.1197","0.1221","","","","","","1.142","","","","has coordinates","299062","2025-04-05","03:56:22",""
"7160364","10.1352","0.0001","11.2399","0.0001","18.295","0.0002","90","","90","","90","","2084.14","0.04","99.98","0.15","99.98","0.15","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cl N4 O -","- C23 H27 Cl N4 O -","- C92 H108 Cl4 N16 O4 -","4","1","","Toman, Daniel; Nemec, Ivan; Kurka, Ondřej; Přibylka, Adam; Cankař, Petr","Axially chiral dimethylaminobenzimidazoles and their preliminary evaluation as acyl-transfer reagents.","Organic & biomolecular chemistry","2025","23","11","2672","2682","10.1039/d4ob02052a","","x-ray","1.54184","CuKα","","0.0268","0.026","","","0.0681","0.0688","","","","","","1.039","","","","has coordinates","299129","2025-04-05","04:10:45",""
"7160365","7.4617","0.0001","13.9068","0.0001","10.4601","0.0001","90","","93.523","0.001","90","","1083.38","0.019","89.9","0.4","89.9","0.4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N4 O -","- C25 H30 N4 O -","- C50 H60 N8 O2 -","2","1","","Toman, Daniel; Nemec, Ivan; Kurka, Ondřej; Přibylka, Adam; Cankař, Petr","Axially chiral dimethylaminobenzimidazoles and their preliminary evaluation as acyl-transfer reagents.","Organic & biomolecular chemistry","2025","23","11","2672","2682","10.1039/d4ob02052a","","x-ray","1.54184","CuKα","","0.0297","0.0286","","","0.0711","0.0717","","","","","","1.065","","","","has coordinates","299129","2025-04-05","04:10:45",""
"7160366","7.455","0.0002","13.9094","0.0002","10.4634","0.0002","90","","93.455","0.002","90","","1083.03","0.04","89.9","0.4","89.9","0.4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N4 O -","- C25 H30 N4 O -","- C50 H60 N8 O2 -","2","1","","Toman, Daniel; Nemec, Ivan; Kurka, Ondřej; Přibylka, Adam; Cankař, Petr","Axially chiral dimethylaminobenzimidazoles and their preliminary evaluation as acyl-transfer reagents.","Organic & biomolecular chemistry","2025","23","11","2672","2682","10.1039/d4ob02052a","","x-ray","1.54184","CuKα","","0.0382","0.0366","","","0.0942","0.0952","","","","","","1.048","","","","has coordinates","299129","2025-04-05","04:10:45",""
"7160367","10.1379","0.00005","11.24899","0.00006","18.30377","0.00009","90","","90","","90","","2087.38","0.018","99.99","0.13","99.99","0.13","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cl N4 O -","- C23 H27 Cl N4 O -","- C92 H108 Cl4 N16 O4 -","4","1","","Toman, Daniel; Nemec, Ivan; Kurka, Ondřej; Přibylka, Adam; Cankař, Petr","Axially chiral dimethylaminobenzimidazoles and their preliminary evaluation as acyl-transfer reagents.","Organic & biomolecular chemistry","2025","23","11","2672","2682","10.1039/d4ob02052a","","x-ray","1.54184","CuKα","","0.0256","0.0252","","","0.065","0.0653","","","","","","1.067","","","","has coordinates","299129","2025-04-05","04:10:45",""
"7160368","5.7116","0.0003","9.0628","0.0005","34.5624","0.0019","90","","92.604","0.003","90","","1787.21","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 S -","- C20 H20 N2 S -","- C80 H80 N8 S4 -","4","1","","Awchar, Vilas M.; Baskaran, Sundarababu","Cascade reaction of α-aryl vinyl and propargyl sulfonium salts with carbon nucleophiles: synthesis of functionalized benzyl and homoallyl thioethers.","Organic & biomolecular chemistry","2025","23","11","2610","2614","10.1039/d5ob00087d","","","0.71073","MoKα","","0.0765","0.0449","","","0.0931","0.1078","","","","","","1.027","","","","has coordinates","299132","2025-04-05","04:11:24",""
"7160369","15.9042","0.0017","10.4909","0.0011","10.2599","0.0011","90","","101.555","0.003","90","","1677.2","0.3","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","1","","Budakoti, Asha; Jha, Priyankar; Verma, Meenakshi; Vasudev, Prema G.; Gupta, Atul","Imidazole-catalyzed construction of bridged bicyclo [3.3.1] ketals <i>via</i> formal [3 + 3]-cycloaddition of naphthols and 2-hydroxyl chromene derivatives.","Organic & biomolecular chemistry","2025","23","12","2793","2796","10.1039/d4ob02068e","","","1.54178","CuKα","","0.0586","0.0578","","","0.1672","0.1678","","","","","","1.076","","","","has coordinates","299137","2025-04-05","04:12:06",""
"7160370","9.6299","0.0003","18.4579","0.0005","9.9846","0.0003","90","","110.009","0.001","90","","1667.61","0.09","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","1","","Budakoti, Asha; Jha, Priyankar; Verma, Meenakshi; Vasudev, Prema G.; Gupta, Atul","Imidazole-catalyzed construction of bridged bicyclo [3.3.1] ketals <i>via</i> formal [3 + 3]-cycloaddition of naphthols and 2-hydroxyl chromene derivatives.","Organic & biomolecular chemistry","2025","23","12","2793","2796","10.1039/d4ob02068e","","","1.54178","CuKα","","0.055","0.0502","","","0.1456","0.1539","","","","","","1.034","","","","has coordinates","299137","2025-04-05","04:12:06",""
"7160371","7.3356","0.0004","12.1862","0.0006","16.2134","0.0008","90","","94.601","0.002","90","","1444.7","0.13","298","2","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","1","","Patel, Dharmik M.; Patel, Raj N.; Rathod, Nileshkumar B.; Patel, Sachinkumar D.; Thakur, Dinesh G.; Sonawane, Mahesh A.; Ghosh, Subhash Chandra","Palladium(II)/Lewis acid catalyzed oxidative olefination of 2-benzamidopyridine 1-oxide with acrylates: synthesis of isoindolinones.","Organic & biomolecular chemistry","2025","23","11","2697","2703","10.1039/d5ob00021a","","","0.71073","MoKα","","0.062","0.0529","","","0.1353","0.1438","","","","","","1.096","","","","has coordinates","299133","2025-04-05","04:11:31",""
"7160372","8.94","0.0005","9.2953","0.0005","11.9582","0.0007","84.896","0.002","72.675","0.002","61.415","0.002","831.31","0.08","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Br F N2 O4 -","- C17 H14 Br F N2 O4 -","- C34 H28 Br2 F2 N4 O8 -","2","1","","Patel, Dharmik M.; Patel, Raj N.; Rathod, Nileshkumar B.; Patel, Sachinkumar D.; Thakur, Dinesh G.; Sonawane, Mahesh A.; Ghosh, Subhash Chandra","Palladium(II)/Lewis acid catalyzed oxidative olefination of 2-benzamidopyridine 1-oxide with acrylates: synthesis of isoindolinones.","Organic & biomolecular chemistry","2025","23","11","2697","2703","10.1039/d5ob00021a","","","0.71073","MoKα","","0.0657","0.0414","","","0.1016","0.1184","","","","","","1.04","","","","has coordinates","299133","2025-04-05","04:11:31",""
"7160373","11.23","0.002","14.496","0.003","17.861","0.004","90","","101.09","0.03","90","","2853.3","1","290","","290","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 N7 O3 -","- C32 H23 N7 O3 -","- C128 H92 N28 O12 -","4","1","","Yavari, Issa; Ahmadi, Mahmoud; Ravaghi, Parisa; Mohsenzadeh, Ramin","Diastereoselective assembly of dispiro-cyclopentene-linked bisoxindoles <i>via</i> annulation involving isatylidene malononitriles and benzylamines.","Organic & biomolecular chemistry","2025","23","11","2712","2720","10.1039/d4ob01811g","","x-ray","0.71073","MoKα","","0.1022","0.0807","","","0.1908","0.2038","","","","","","1.144","","","","has coordinates","299127","2025-04-05","04:10:28",""
"7160374","5.8622","0.0006","9.9029","0.0008","18.9327","0.0016","90","","96.29","0.006","90","","1092.48","0.17","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 Cl N2 O9 -","- C21 H21 Cl N2 O9 -","- C42 H42 Cl2 N4 O18 -","2","1","","Howell, Lucas W.; Hackbarth, Jacob N.; Abraham, Jeffrey S.; Friestad, Gregory K.","Stereospecific access to α-haloalkyl esters <i>via</i> enol ester epoxides and synthesis of a C3-C21 fragment of bastimolide A.","Organic & biomolecular chemistry","2025","23","12","2802","2806","10.1039/d5ob00070j","","","1.54178","CuKα","","0.0236","0.0235","","","0.0619","0.062","","","","","","1.056","","","","has coordinates","299138","2025-04-05","04:12:12",""
"7160375","6.7401","0.0005","15.6633","0.001","16.0978","0.0012","90","","90","","90","","1699.5","0.2","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 F2 N2 O6 -","- C17 H16 F2 N2 O6 -","- C68 H64 F8 N8 O24 -","4","1","","Schulz, Göran; Maletz, Julia; Janisch, Pascal; Moczarski, Stefan; Ostrovskyi, Dmytro","Synthesis of selected plant metabolites of icafolin-methyl <i>via</i> the formation of a spirocyclic nitronate.","Organic & biomolecular chemistry","2025","23","11","2726","2730","10.1039/d5ob00132c","","","1.54178","CuKα","","0.033","0.029","","","0.0681","0.0696","","","","","","1.078","","","","has coordinates","299134","2025-04-05","04:11:38",""
"7160376","5.8796","0.0008","6.5729","0.0009","8.5183","0.0011","84.671","0.005","79.616","0.007","73.035","0.005","309.43","0.07","110","","110","","","","","","","","","5","P 1","P 1","1","","","","- C13 H11 F2 N O4 -","- C13 H11 F2 N O4 -","- C13 H11 F2 N O4 -","1","1","","Schulz, Göran; Maletz, Julia; Janisch, Pascal; Moczarski, Stefan; Ostrovskyi, Dmytro","Synthesis of selected plant metabolites of icafolin-methyl <i>via</i> the formation of a spirocyclic nitronate.","Organic & biomolecular chemistry","2025","23","11","2726","2730","10.1039/d5ob00132c","","","1.54178","CuKα","","0.0274","0.0267","","","0.068","0.0687","","","","","","1.05","","","","has coordinates","299134","2025-04-05","04:11:38",""
"7160377","13.7949","0.0008","6.9944","0.0003","14.1314","0.0008","90","","117.585","0.007","90","","1208.5","0.14","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 O5 -","- C13 H14 O5 -","- C52 H56 O20 -","4","1","","Xu, Zhenhua; Geng, Tao; Du, Jun; Zuo, Youpeng; Hu, Xiaoxiao; Liu, Lin; Shi, Zhiqiang; Huang, Huawen","Visible-light-mediated radical difunctionalization of alkenes with aromatic aldehydes.","Organic & biomolecular chemistry","2025","23","11","2625","2629","10.1039/d4ob02090a","","x-ray","1.54184","CuKα","","0.0893","0.0801","","","0.2056","0.2216","","","","","","1.089","","","","has coordinates","299131","2025-04-05","04:11:17",""
"7160378","28.092","0.002","10.0764","0.0008","11.5164","0.0009","90","","90","","90","","3259.9","0.4","300","","300","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H26 Cl4 N3 O11 -","- C25 H28 Cl N3 O11 -","- C100 H112 Cl4 N12 O44 -","4","1","","Yadav, Yogesh; Singh, Kavita; Tyagi, Rajdeep; Sagar, Ram","Organobase-catalyzed efficient synthesis of 4-acyl-5-aryl tri-substituted triazole linked <i>N</i>-glycosides as glycohybrids.","Organic & biomolecular chemistry","2025","23","12","2904","2917","10.1039/d4ob01971g","","","0.71073","MoKα","","0.0863","0.0492","","","0.1233","0.1412","","","","","","1.026","","","","has coordinates","299141","2025-04-05","04:13:01",""
"7160379","5.6243","0.0002","8.6813","0.0004","20.6205","0.0009","90","","91.817","0.002","90","","1006.32","0.07","298.15","","298.15","","","","","","","","","4","P 1 21 1","P 2yb","4","OXAZOLE","5-(3,4-dimethoxyphenyl)oxazole","","- C24 H24 N O5 -","- C22 H22 N2 O6 -","- C44 H44 N4 O12 -","2","1","","Devaraju, Mohankumar; Prasad Dasappa, Jagadeesh","PIDA mediated oxidative annulation of aryl methyl ketones: a facile approach for the chemoselective synthesis of 5-substituted oxazoles.","Organic & biomolecular chemistry","2025","23","12","2891","2895","10.1039/d4ob01427h","","","0.71073","MoKα","","0.0485","0.0414","","","0.1193","0.1343","","","","","","1.151","","","","has coordinates","299140","2025-04-05","04:12:44",""
"7160380","22.6755","0.0009","7.06","0.0003","16.2241","0.0007","90","","129.155","0.001","90","","2014.05","0.15","298.15","","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5-(4-(methylsulfonyl)phenyl)thiazole","","- C11 H10 Cl N O2 S0 -","- C10 H9 N O3 S -","- C80 H72 N8 O24 S8 -","8","1","","Devaraju, Mohankumar; Prasad Dasappa, Jagadeesh","PIDA mediated oxidative annulation of aryl methyl ketones: a facile approach for the chemoselective synthesis of 5-substituted oxazoles.","Organic & biomolecular chemistry","2025","23","12","2891","2895","10.1039/d4ob01427h","","","0.71073","MoKα","","0.0659","0.055","","","0.1476","0.1648","","","","","","1.209","","","","has coordinates","299140","2025-04-05","04:12:44",""
"7160381","11.197","0.0007","11.5741","0.0007","13.872","0.0008","71.41","0.006","81.66","0.005","72.117","0.006","1619.4","0.19","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H31 N5 O7 -","- C37 H31 N5 O7 -","- C74 H62 N10 O14 -","2","1","","Wang, Yongchao; Zheng, Lihua; Zi, Rongmei; Niu, Yanqin; Yang, Shuyuan; Hu, Donghua; Dong, Jianwei","Diastereoselective three-component 1,3-dipolar cycloaddition: concise synthesis of functionalized tetrahydrocarboline-fused spirooxindoles.","Organic & biomolecular chemistry","2025","23","12","2941","2953","10.1039/d4ob02099e","","x-ray","1.54184","CuKα","","0.0676","0.0591","","","0.1752","0.1839","","","","","","1.0427","","","","has coordinates","299142","2025-04-05","04:13:20",""
"7160382","12.3838","0.0005","11.5142","0.0004","15.4241","0.0006","90","","106.626","0.001","90","","2107.37","0.14","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 N4 O2 P2 Se2 Zn2 -","- C40 H54 N4 O2 P2 Se2 Zn2 -","- C80 H108 N8 O4 P4 Se4 Zn4 -","2","0.5","","Bano, Kulsum; Ravi Kumar, ?; Jain, Archana; Panda, Tarun K.","Efficient hydrosilylation of carbonyls by zinc alkyl complexes supported by flexible amidophosphinochalcogenide ligands.","Organic & biomolecular chemistry","2025","23","12","2925","2934","10.1039/d5ob00004a","","","0.71073","MoKα","","0.0615","0.0327","","","0.0607","0.0688","","","","","","1.023","","","","has coordinates","299139","2025-04-05","04:12:19",""
"7160383","12.2096","0.0007","11.4911","0.0008","15.4394","0.001","90","","107.07","0.002","90","","2070.7","0.2","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 N4 O2 P2 S2 Zn2 -","- C40 H54 N4 O2 P2 S2 Zn2 -","- C80 H108 N8 O4 P4 S4 Zn4 -","2","0.5","","Bano, Kulsum; Ravi Kumar, ?; Jain, Archana; Panda, Tarun K.","Efficient hydrosilylation of carbonyls by zinc alkyl complexes supported by flexible amidophosphinochalcogenide ligands.","Organic & biomolecular chemistry","2025","23","12","2925","2934","10.1039/d5ob00004a","","","0.71073","MoKα","","0.0502","0.0372","","","0.0948","0.1005","","","","","","1.093","","","","has coordinates","299139","2025-04-05","04:12:20",""
"7160384","8.2209","0.0003","11.6407","0.0004","13.6236","0.0005","83.587","0.001","81.241","0.001","73.437","0.001","1231.86","0.08","120","2","120","2","","","","","","","synthesized by the authors","4","P -1","-P 1","2","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","2","","Holovko-Kamoshenkova, Oksana; Tošner, Zdeněk; Císařová, Ivana; Hrdina, Radim","C-H amination of enolizable and nonenolizable ketones.","Organic & biomolecular chemistry","2025","23","12","2818","2822","10.1039/d5ob00009b","","","1.54178","CuKα","","0.037","0.0351","","","0.0972","0.0988","","","","","","1.032","","","","has coordinates","299136","2025-04-05","04:11:58",""
"7160385","11.5155","0.0008","5.6145","0.0003","12.6912","0.0009","90","","100.496","0.002","90","","806.8","0.09","120","2","120","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Holovko-Kamoshenkova, Oksana; Tošner, Zdeněk; Císařová, Ivana; Hrdina, Radim","C-H amination of enolizable and nonenolizable ketones.","Organic & biomolecular chemistry","2025","23","12","2818","2822","10.1039/d5ob00009b","","","0.71073","MoKα","","0.0426","0.0353","","","0.0895","0.0942","","","","","","1.062","","","","has coordinates","299136","2025-04-05","04:11:58",""
"7160386","8.9496","0.0003","6.568","0.0002","20.8721","0.0007","90","","96.166","0.001","90","","1219.78","0.07","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 N2 O2 -","- C11 H18 N2 O2 -","- C44 H72 N8 O8 -","4","1","","Holovko-Kamoshenkova, Oksana; Tošner, Zdeněk; Císařová, Ivana; Hrdina, Radim","C-H amination of enolizable and nonenolizable ketones.","Organic & biomolecular chemistry","2025","23","12","2818","2822","10.1039/d5ob00009b","","","1.54178","CuKα","","0.0403","0.0384","","","0.1077","0.1099","","","","","","1.064","","","","has coordinates,has disorder","299136","2025-04-05","04:11:58",""
"7160387","10.4398","0.0003","10.4398","0.0003","28.3533","0.0009","90","","90","","90","","3090.21","0.16","273.15","","273.15","","","","","","","","","6","P 41","P 4w","76","","shweta","","- C16 H12 Br F3 N2 O3 -","- C16 H12 Br F3 N2 O3 -","- C128 H96 Br8 F24 N16 O24 -","8","2","","Rohilla, Shweta; Khan, Zahid Ahmad; Singh, Vinod K.","Copper-catalyzed enantioselective propargylic [3 + 2] cycloaddition: access to oxygen heterocycles featuring a CF<sub>3</sub>-substituted quaternary stereocenter.","Organic & biomolecular chemistry","2025","23","11","2731","2736","10.1039/d4ob02043j","","","0.71073","MoKα","","0.0336","0.0313","","","0.0814","0.0829","","","","","","1.051","","","","has coordinates","299128","2025-04-05","04:10:35",""
"7160388","7.9229","0.0004","7.0647","0.0003","13.8678","0.0006","90","","92.798","0.002","90","","775.3","0.06","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 F3 N2 O3 -","- C16 H17 F3 N2 O3 -","- C32 H34 F6 N4 O6 -","2","1","","Rohilla, Shweta; Khan, Zahid Ahmad; Singh, Vinod K.","Copper-catalyzed enantioselective propargylic [3 + 2] cycloaddition: access to oxygen heterocycles featuring a CF<sub>3</sub>-substituted quaternary stereocenter.","Organic & biomolecular chemistry","2025","23","11","2731","2736","10.1039/d4ob02043j","","","0.71073","MoKα","","0.039","0.0364","","","0.092","0.0937","","","","","","1.025","","","","has coordinates","299128","2025-04-05","04:10:36",""
"7160389","8.0437","0.0002","13.008","0.0003","18.6634","0.0004","87.033","0.002","87.389","0.002","84.729","0.002","1940.3","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H38 N6 O2 -","- C52 H38 N6 O2 -","- C104 H76 N12 O4 -","2","1","","Moriyama, Tetsuya; Kobayashi, Ryota; Chiba, Takayuki; Okada, Shuji; Yamakado, Ryohei","3-Keto-indazole derivatives exhibiting multi-coloured phosphorescence.","Organic & biomolecular chemistry","2025","23","20","4902","4908","10.1039/d5ob00108k","","","0.71073","MoKα","","0.0579","0.0455","","","0.1137","0.1208","","","","","","1.065","","","","has coordinates","301143","2025-07-06","17:54:38",""
"7160390","11.0125","0.0002","8.5411","0.0001","21.002","0.0003","90","","104.994","0.002","90","","1908.17","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H40 N4 O12 S2 -","- C38 H40 N4 O12 S2 -","- C76 H80 N8 O24 S4 -","2","1","","Jena, Chinmay K.; Patnaik, Aurobindo; Nayak, Sushree S.; Kumari, Supriya; Panda, Ankita; Dixit, Manjusha; Sharma, Nagendra K.","PIDA-mediated synthesis of kynurenine derivatives by oxidative fragmentation of the tryptophan scaffold.","Organic & biomolecular chemistry","2025","23","13","3208","3223","10.1039/d5ob00057b","","x-ray","1.54184","CuKα","","0.0369","0.0331","","","0.0905","0.0913","","","","","","1.068","","","","has coordinates","299108","2025-04-05","04:06:15",""
"7160391","5.03333","0.00016","8.541","0.0003","13.3951","0.0004","82.934","0.003","85.65","0.003","73.874","0.003","548.47","0.03","100","0.11","100.15","","","","","","","","","4","P 1","P 1","1","","","","- C20 H27 N3 O7 -","- C20 H27 N3 O7 -","- C20 H27 N3 O7 -","1","1","","Jena, Chinmay K.; Patnaik, Aurobindo; Nayak, Sushree S.; Kumari, Supriya; Panda, Ankita; Dixit, Manjusha; Sharma, Nagendra K.","PIDA-mediated synthesis of kynurenine derivatives by oxidative fragmentation of the tryptophan scaffold.","Organic & biomolecular chemistry","2025","23","13","3208","3223","10.1039/d5ob00057b","","","1.54184","CuKα","","0.0459","0.0427","","","0.1122","0.1162","","","","","","1.06","","","","has coordinates","299108","2025-04-05","04:06:16",""
"7160392","5.6238","0.0003","14.8768","0.0008","19.4102","0.001","90","","90","","90","","1623.94","0.15","100.01","0.1","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C64 H72 N8 O20 -","4","1","","Jena, Chinmay K.; Patnaik, Aurobindo; Nayak, Sushree S.; Kumari, Supriya; Panda, Ankita; Dixit, Manjusha; Sharma, Nagendra K.","PIDA-mediated synthesis of kynurenine derivatives by oxidative fragmentation of the tryptophan scaffold.","Organic & biomolecular chemistry","2025","23","13","3208","3223","10.1039/d5ob00057b","","","1.54184","CuKα","","0.0424","0.041","","","0.1118","0.1133","","","","","","1.053","","","","has coordinates","299108","2025-04-05","04:06:16",""
"7160393","15.6051","0.001","9.8026","0.0006","21.1562","0.0013","90","","98.295","0.006","90","","3202.4","0.3","243","60","243","60","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 N2 O4 -","- C19 H16 N2 O4 -","- C152 H128 N16 O32 -","8","1","","Jena, Chinmay K.; Patnaik, Aurobindo; Nayak, Sushree S.; Kumari, Supriya; Panda, Ankita; Dixit, Manjusha; Sharma, Nagendra K.","PIDA-mediated synthesis of kynurenine derivatives by oxidative fragmentation of the tryptophan scaffold.","Organic & biomolecular chemistry","2025","23","13","3208","3223","10.1039/d5ob00057b","","x-ray","0.71073","MoKα","","0.0822","0.0647","","","0.1742","0.1841","","","","","","1.058","","","","has coordinates","299108","2025-04-05","04:06:16",""
"7160394","9.6582","0.0004","10.8402","0.0003","12.8768","0.0003","65.827","0.002","69.312","0.003","63.964","0.003","1080.08","0.07","100.01","0.11","100.01","0.11","","","","","","","","4","P 1","P 1","1","","","","- C40 H54 N6 O14 -","- C40 H54 N6 O14 -","- C40 H54 N6 O14 -","1","1","","Jena, Chinmay K.; Patnaik, Aurobindo; Nayak, Sushree S.; Kumari, Supriya; Panda, Ankita; Dixit, Manjusha; Sharma, Nagendra K.","PIDA-mediated synthesis of kynurenine derivatives by oxidative fragmentation of the tryptophan scaffold.","Organic & biomolecular chemistry","2025","23","13","3208","3223","10.1039/d5ob00057b","","x-ray","1.54184","CuKα","","0.0696","0.0675","","","0.1806","0.1848","","","","","","0.979","","","","has coordinates","299108","2025-04-05","04:06:16",""
"7160395","6.1426","0.0001","9.4202","0.0003","13.5004","0.0004","110.304","0.003","90.564","0.002","98.95","0.002","722.01","0.04","173.01","0.1","173.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C16 H26 O2 -","- C16 H26 O2 -","- C32 H52 O4 -","2","1","","Yoshimura, Fumihiko; Uchida, Masaya; Aratame, Kaori; Ouchi, Hitoshi; Inai, Makoto; Kondo, Mitsuru; Takita, Ryo; Kan, Toshiyuki","Total synthesis of (±)-halichonine B.","Organic & biomolecular chemistry","2025","23","13","3076","3080","10.1039/d5ob00145e","","x-ray","1.54184","CuKα","","0.0529","0.0505","","","0.1466","0.1496","","","","","","1.065","","","","has coordinates","299110","2025-04-05","04:06:32",""
"7160396","9.3555","0.0005","11.2209","0.0008","14.2183","0.0008","68.506","0.002","85.739","0.004","70.953","0.002","1311.02","0.14","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 F O2 P -","- C34 H24 F O2 P -","- C68 H48 F2 O4 P2 -","2","1","","Chang, Xin; Han, Xiao-Wen; Zhu, Hai-Tao; Zhou, Ni-Ni; Yang, Nan; Shen, Cheng-Ping; Qi, Chunxuan; Zhou, An-Xi; Feng, Hai-Tao; Tang, Ben Zhong","Phosphinylation/cyclization of propynolaldehydes to isobenzo-furanylic phosphine oxides displaying AIE properties.","Organic & biomolecular chemistry","2025","23","13","3154","3162","10.1039/d5ob00061k","","","0.71073","MoKα","","0.0574","0.0429","","","0.1064","0.1152","","","","","","1.057","","","","has coordinates,has disorder","299109","2025-04-05","04:06:25",""
"7160397","10.3029","0.0002","26.9879","0.0004","18.4734","0.0003","90","","96.403","0.001","90","","5104.55","0.15","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 O2 P -","- C34 H25 O2 P -","- C272 H200 O16 P8 -","8","2","","Chang, Xin; Han, Xiao-Wen; Zhu, Hai-Tao; Zhou, Ni-Ni; Yang, Nan; Shen, Cheng-Ping; Qi, Chunxuan; Zhou, An-Xi; Feng, Hai-Tao; Tang, Ben Zhong","Phosphinylation/cyclization of propynolaldehydes to isobenzo-furanylic phosphine oxides displaying AIE properties.","Organic & biomolecular chemistry","2025","23","13","3154","3162","10.1039/d5ob00061k","","","1.54178","CuKα","","0.0887","0.0797","","","0.1848","0.1984","","","","","","1.051","","","","has coordinates","299109","2025-04-05","04:06:26",""
"7160398","8.0439","0.0015","6.928","0.0013","11.632","0.003","90","","100.98","0.02","90","","636.4","0.2","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C11 H13 F2 I O2 -","- C11 H13 F2 I O2 -","- C22 H26 F4 I2 O4 -","2","1","","Goto, Toshihito; Shirai, Sakuya; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Yamazaki, Takashi","I<sub>2</sub>-mediated convenient ring-opening of simple <i>gem</i>-difluorocyclopropanes.","Organic & biomolecular chemistry","2025","23","13","3163","3170","10.1039/d5ob00128e","","","0.71073","MoKα","","0.0568","0.051","","","0.1472","0.1579","","","","","","1.084","","","","has coordinates","299111","2025-04-05","04:06:39",""
"7160399","8.6168","0.0006","15.768","0.0012","9.6852","0.0007","90","","103.245","0.003","90","","1280.92","0.16","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H26 N2 O4 -","- C32 H26 N2 O4 -","- C64 H52 N4 O8 -","2","1","","Zhao, Zhen-Ni; Li, Shuo; Zhu, Shi-Xuan; Liu, Guo-Hua; Li, Sheng-Yu; Li, Yi-Chao; Wang, Yi-Long; Huang, Yi-Yong","Iron-catalyzed 1,3-dipolar cycloaddition of alkynes and aryl nitrones for the synthesis of chiral Δ<sup>4</sup>-isoxazolines.","Organic & biomolecular chemistry","2025","23","14","3372","3379","10.1039/d5ob00143a","","","1.34139","GaKα","","0.0467","0.0386","","","0.0962","0.1008","","","","","","1.033","","","","has coordinates","299053","2025-04-05","03:54:42",""
"7160400","11.1055","0.0004","12.5847","0.0006","16.5079","0.0007","108.227","0.004","91.024","0.003","113.106","0.004","1989.3","0.17","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 F N3 O -","- C22 H26 F N3 O -","- C88 H104 F4 N12 O4 -","4","2","","Zhang, Pengyan; Liu, Chenrui; Dai, Maoyi; Wang, Guangyue; Huang, Yurong; Zhang, Lina; Liu, Cheng; He, Chengjie; Zhang, Xiaoxiang; Zhang, Zhuan; Liang, Taoyuan","A one-pot multicomponent tandem reaction for the rapid synthesis of 2-amino-3-benzylindoles.","Organic & biomolecular chemistry","2025","23","14","3393","3399","10.1039/d5ob00187k","","x-ray","1.54184","CuKα","","0.0668","0.0543","","","0.1458","0.1573","","","","","","1.036","","","","has coordinates","299054","2025-04-05","03:54:49",""
"7160401","20.35","0.0007","22.3725","0.0007","23.1066","0.0007","67.45","0.002","64.256","0.002","83.47","0.002","8733.7","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","C74H111N11O14(MeCN)3.7(CH2Cl2)0.6","1C7","","- C82 H123.3 Cl1.2 N14.7 O14 -","- C82 H123.3 Cl1.2 N14.7 O14 -","- C328 H493.2 Cl4.8 N58.8 O56 -","4","2","","Ousaka, Naoki; MacLachlan, Mark J.; Akine, Shigehisa; Fujikawa, Shigenori","Stabilization of optically inactive α-helices of peptidic foldamers through sequence control and <i>i</i>, <i>i</i> + 4 stapling.","Organic & biomolecular chemistry","2025","23","14","3366","3371","10.1039/d5ob00244c","","","1.54178","CuKα","","0.138","0.0863","","","0.2323","0.279","","","","","","1.011","","","","has coordinates,has disorder","299113","2025-04-05","04:07:05",""
"7160402","11.7404","0.0011","8.3449","0.0008","13.0752","0.0012","90","","94.168","0.003","90","","1277.6","0.2","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H23 Br F3 N O8 -","- C24 H23 Br F3 N O8 -","- C48 H46 Br2 F6 N2 O16 -","2","1","","Wang, Bangzhong; Sun, Luyang; Zhang, Pengyue; Zhang, Shuaibo; Zhao, Jinfeng; Qu, Jingping; Zhou, Yuhan","Pd-catalyzed asymmetric etherification of 2<i>H</i>-chromenes: enantioselective construction of chiral 4-alkoxy-4<i>H</i>-chromenes.","Organic & biomolecular chemistry","2025","23","14","3431","3436","10.1039/d5ob00005j","","","0.71073","MoKα","","0.0788","0.0536","","","0.1208","0.1336","","","","","","1.09","","","","has coordinates,has disorder","299052","2025-04-05","03:54:22",""
"7160403","10.798","0.003","11.682","0.004","16.946","0.005","90","","90","","90","","2137.6","1.1","298","2","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H14 F3 N5 O2 -","- C22 H14 F3 N5 O2 -","- C88 H56 F12 N20 O8 -","4","1","","Thrinadh Kumar, Rapeti; Mulani, Sohel C.; Anwar, Shaik; Kottalanka, Ravi K.","Design, synthesis, and apoptotic evaluation of spiro[indoline-3,3'-pyrazolo[1,2-<i>a</i>]indazole] derivatives <i>via</i> [3 + 2] <i>N</i>,<i>N</i>-cycloaddition.","Organic & biomolecular chemistry","2025","23","15","3583","3589","10.1039/d5ob00049a","","","0.71073","MoKα","","0.101","0.0882","","","0.2741","0.2903","","","","","","1.234","","","","has coordinates","301157","2025-07-06","17:57:33",""
"7160404","9.8411","0.0019","10.4582","0.0019","10.93","0.002","93.183","0.006","93.558","0.007","90.622","0.007","1120.9","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 Cl N2 O -","- C29 H21 Cl N2 O -","- C58 H42 Cl2 N4 O2 -","2","1","","Ajay, Chidrawar; Sridhar, B.; Subba Reddy, B. V.","Ru(II)-catalyzed oxidative C-H spiroannulation of 4-arylquinazolin-2-ones with alkynes.","Organic & biomolecular chemistry","2025","23","17","4206","4211","10.1039/d5ob00170f","","","0.71073","MoKα","","0.1003","0.0491","","","0.1243","0.148","","","","","","1.028","","","","has coordinates","301106","2025-07-06","17:47:56",""
"7160405","12.3191","0.0006","11.9918","0.0007","12.3216","0.0006","90","","90.368","0.002","90","","1820.21","0.16","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","2","","Kou, Cai-Lan; Yang, Long; Sun, Ling-Zhi; Li, Meng; Luo, Xi; Guo, Hong-Bo; Xie, Jian-Bo","Highly enantio-selective synthesis of aza-spirocyclic indanones <i>via</i> rhodium catalysis.","Organic & biomolecular chemistry","2025","23","15","3542","3546","10.1039/d5ob00291e","","","1.34139","GaKα","","0.0451","0.0411","","","0.1052","0.1081","","","","","","1.031","","","","has coordinates","301159","2025-07-06","17:57:50",""
"7160406","12.5483","0.0006","13.9712","0.0007","12.1835","0.0006","90","","95.77","0.002","90","","2125.13","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O -","- C28 H24 O -","- C112 H96 O4 -","4","1","","Shen, Cheng-Ping; Zhu, Hai-Tao; Li, Guo-Hua; Chang, Xin; Xi, Jia-Jun; Zhou, Ni-Ni; Zhou, An-Xi","Meyer-Schuster rearrangement/allylic alkenylation of propynolaldehydes with olefins to synthesize skipped 1,4-dienes.","Organic & biomolecular chemistry","2025","23","16","3870","3874","10.1039/d5ob00173k","","","0.71073","MoKα","","0.1152","0.0736","","","0.1834","0.21","","","","","","1.014","","","","has coordinates","301131","2025-07-06","17:52:46",""
"7160407","14.6422","0.0008","12.5662","0.0006","26.0642","0.0011","90","","90","","90","","4795.7","0.4","292","4","292","4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H23 Cl O -","- C31 H23 Cl O -","- C248 H184 Cl8 O8 -","8","1","","Shen, Cheng-Ping; Zhu, Hai-Tao; Li, Guo-Hua; Chang, Xin; Xi, Jia-Jun; Zhou, Ni-Ni; Zhou, An-Xi","Meyer-Schuster rearrangement/allylic alkenylation of propynolaldehydes with olefins to synthesize skipped 1,4-dienes.","Organic & biomolecular chemistry","2025","23","16","3870","3874","10.1039/d5ob00173k","","x-ray","0.71073","MoKα","","0.0866","0.0458","","","0.1126","0.1327","","","","","","1.016","","","","has coordinates","301131","2025-07-06","17:52:47",""
"7160408","7.8705","0.0004","11.0596","0.0004","16.4847","0.0004","80.679","0.002","76.457","0.003","81.105","0.003","1366.36","0.09","302.32","0.1","302.32","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C37 H30 O -","- C37 H30 O -","- C74 H60 O2 -","2","1","","Shen, Cheng-Ping; Zhu, Hai-Tao; Li, Guo-Hua; Chang, Xin; Xi, Jia-Jun; Zhou, Ni-Ni; Zhou, An-Xi","Meyer-Schuster rearrangement/allylic alkenylation of propynolaldehydes with olefins to synthesize skipped 1,4-dienes.","Organic & biomolecular chemistry","2025","23","16","3870","3874","10.1039/d5ob00173k","","x-ray","1.54184","CuKα","","0.0528","0.048","","","0.1323","0.1351","","","","","","1.081","","","","has coordinates","301131","2025-07-06","17:52:47",""
"7160409","16.0351","0.0002","19.3964","0.0002","17.3183","0.0002","90","","106.538","0.001","90","","5163.56","0.11","291","2","291","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 O2 -","- C36 H24 O2 -","- C288 H192 O16 -","8","1","","Shen, Cheng-Ping; Zhu, Hai-Tao; Li, Guo-Hua; Chang, Xin; Xi, Jia-Jun; Zhou, Ni-Ni; Zhou, An-Xi","Meyer-Schuster rearrangement/allylic alkenylation of propynolaldehydes with olefins to synthesize skipped 1,4-dienes.","Organic & biomolecular chemistry","2025","23","16","3870","3874","10.1039/d5ob00173k","","x-ray","1.54184","CuKα","","0.058","0.0514","","","0.1397","0.1456","","","","","","1.036","","","","has coordinates","301131","2025-07-06","17:52:47",""
"7160410","9.2849","0.0007","21.4705","0.0017","12.8615","0.0009","90","","92.362","0.003","90","","2561.8","0.3","150","2","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 O -","- C36 H26 O -","- C144 H104 O4 -","4","1","","Shen, Cheng-Ping; Zhu, Hai-Tao; Li, Guo-Hua; Chang, Xin; Xi, Jia-Jun; Zhou, Ni-Ni; Zhou, An-Xi","Meyer-Schuster rearrangement/allylic alkenylation of propynolaldehydes with olefins to synthesize skipped 1,4-dienes.","Organic & biomolecular chemistry","2025","23","16","3870","3874","10.1039/d5ob00173k","","","0.71073","MoKα","","0.0761","0.0612","","","0.1531","0.1638","","","","","","1.076","","","","has coordinates","301131","2025-07-06","17:52:47",""
"7160411","9.5905","0.0013","9.8247","0.0013","17.961","0.002","90","","105.033","0.005","90","","1634.4","0.4","297.15","","297.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C88 H60 N4 O8 -","4","1","","Devaraju, Mohankumar; Prasad Dasappa, Jagadeesh","Oxidative annulation of L-phenylalanine using I<sub>2</sub>/DMSO: an easy approach for chemoselective synthesis of 2,3,5-trisubstituted pyridines and 2,5-disubstituted oxazoles.","Organic & biomolecular chemistry","2025","23","14","3437","3442","10.1039/d5ob00039d","","","1.54178","CuKα","","0.0898","0.0598","","","0.1772","0.1913","","","","","","1.055","","","","has coordinates","299112","2025-04-05","04:06:54",""
"7160412","10.5417","0.0011","11.2513","0.0012","11.7206","0.0013","63.057","0.003","66.65","0.003","78.851","0.003","1137.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","PYRIDINE","(3,5-diphenylpyridin-2-yl)(9H-fluoren-2-yl)methanone","","- C31 H21 N O -","- C31 H21 N O -","- C62 H42 N2 O2 -","2","1","","Devaraju, Mohankumar; Prasad Dasappa, Jagadeesh","Oxidative annulation of L-phenylalanine using I<sub>2</sub>/DMSO: an easy approach for chemoselective synthesis of 2,3,5-trisubstituted pyridines and 2,5-disubstituted oxazoles.","Organic & biomolecular chemistry","2025","23","14","3437","3442","10.1039/d5ob00039d","","","0.71073","MoKα","","0.0523","0.0448","","","0.1387","0.1552","","","","","","1.02","","","","has coordinates","299112","2025-04-05","04:06:55",""
"7160413","8.048","0.002","8.244","0.002","23.019","0.007","90","","96.925","0.007","90","","1516.1","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","OXAZOLE","(5-(3,4-dimethoxyphenyl)oxazol-2-yl)(phenyl)methanone","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Devaraju, Mohankumar; Prasad Dasappa, Jagadeesh","Oxidative annulation of L-phenylalanine using I<sub>2</sub>/DMSO: an easy approach for chemoselective synthesis of 2,3,5-trisubstituted pyridines and 2,5-disubstituted oxazoles.","Organic & biomolecular chemistry","2025","23","14","3437","3442","10.1039/d5ob00039d","","","0.71073","MoKα","","0.1037","0.0996","","","0.2551","0.2573","","","","","","1.132","","","","has coordinates","299112","2025-04-05","04:06:55",""
"7160414","26.6824","0.0009","7.1838","0.0003","13.9128","0.0004","90","","90","","90","","2666.82","0.16","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H12 Cl N O2 S -","- C14 H12 Cl N O2 S -","- C112 H96 Cl8 N8 O16 S8 -","8","2","","Kositova, Olga A.; Bugaenko, Dmitry I.; Goncharenko, Victoria E.; Nechaev, Mikhail S.; Karchava, Alexander V.","Base-controlled regioselectivity <i>via</i> distinct mechanisms during C-H thionation of azinium salts with elemental sulfur.","Organic & biomolecular chemistry","2025","23","15","3547","3552","10.1039/d5ob00209e","","x-ray","0.71073","MoKα","","0.0603","0.0485","","","0.1017","0.1095","","","","","","1.029","","","","has coordinates","301153","2025-07-06","17:56:18",""
"7160415","10.7446","0.0007","14.6012","0.0009","7.0569","0.0006","90","","108.194","0.003","90","","1051.76","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C52 H40 N8 S4 -","4","1","","Kositova, Olga A.; Bugaenko, Dmitry I.; Goncharenko, Victoria E.; Nechaev, Mikhail S.; Karchava, Alexander V.","Base-controlled regioselectivity <i>via</i> distinct mechanisms during C-H thionation of azinium salts with elemental sulfur.","Organic & biomolecular chemistry","2025","23","15","3547","3552","10.1039/d5ob00209e","","","0.71073","MoKα","","0.0597","0.0478","","","0.1257","0.1341","","","","","","1.038","","","","has coordinates","301153","2025-07-06","17:56:19",""
"7160416","15.077","0.003","7.584","0.002","28.746","0.007","90","","90","","90","","3286.9","1.3","110","","110","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H9 N S -","- C10 H9 N S -","- C160 H144 N16 S16 -","16","4","","Kositova, Olga A.; Bugaenko, Dmitry I.; Goncharenko, Victoria E.; Nechaev, Mikhail S.; Karchava, Alexander V.","Base-controlled regioselectivity <i>via</i> distinct mechanisms during C-H thionation of azinium salts with elemental sulfur.","Organic & biomolecular chemistry","2025","23","15","3547","3552","10.1039/d5ob00209e","","","0.71073","MoKα","","0.1513","0.0867","","","0.2013","0.2392","","","","","","1.008","","","","has coordinates","301153","2025-07-06","17:56:19",""
"7160417","8.8568","0.0003","10.5889","0.0004","8.5261","0.0003","77.19","0.001","78.459","0.001","82.103","0.002","760.31","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N O S -","- C19 H15 N O S -","- C38 H30 N2 O2 S2 -","2","1","","Kositova, Olga A.; Bugaenko, Dmitry I.; Goncharenko, Victoria E.; Nechaev, Mikhail S.; Karchava, Alexander V.","Base-controlled regioselectivity <i>via</i> distinct mechanisms during C-H thionation of azinium salts with elemental sulfur.","Organic & biomolecular chemistry","2025","23","15","3547","3552","10.1039/d5ob00209e","","","0.71073","MoKα","","0.0543","0.0472","","","0.109","0.1143","","","","","","1.039","","","","has coordinates","301153","2025-07-06","17:56:19",""
"7160418","17.8909","0.0005","3.9857","0.0001","29.2748","0.0008","90","","102.306","0.001","90","","2039.56","0.1","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cl2 N2 O2 S2 -","- C22 H20 Cl2 N2 O2 S2 -","- C88 H80 Cl8 N8 O8 S8 -","4","1","","Kositova, Olga A.; Bugaenko, Dmitry I.; Goncharenko, Victoria E.; Nechaev, Mikhail S.; Karchava, Alexander V.","Base-controlled regioselectivity <i>via</i> distinct mechanisms during C-H thionation of azinium salts with elemental sulfur.","Organic & biomolecular chemistry","2025","23","15","3547","3552","10.1039/d5ob00209e","","","0.71073","MoKα","","0.0547","0.0435","","","0.1001","0.107","","","","","","1.02","","","","has coordinates","301153","2025-07-06","17:56:19",""
"7160419","9.78749","0.00019","15.2412","0.0002","10.1184","0.0002","90","","108.564","0.002","90","","1430.86","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Liu, Yan; Zhang, Xiang-Xin; Li, Xue-Ting; Xu, Su-Yang; Ji, Ding-Wei; Chen, Qing-An","Construction of multi-functionalized carbon chains by Ni-catalyzed carbosulfonylation of butadiene.","Organic & biomolecular chemistry","2025","23","15","3619","3628","10.1039/d5ob00402k","","x-ray","1.54184","CuKα","","0.0626","0.0565","","","0.1562","0.1644","","","","","","1.068","","","","has coordinates","301158","2025-07-06","17:57:43",""
"7160420","13.7943","0.0003","14.7109","0.0003","17.1758","0.0004","90","","90","","90","","3485.43","0.13","99.98","0.1","99.98","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N3 O4 -","- C19 H19 N3 O4 -","- C152 H152 N24 O32 -","8","2","","Liu, Yan; Zhang, Xiang-Xin; Li, Xue-Ting; Xu, Su-Yang; Ji, Ding-Wei; Chen, Qing-An","Construction of multi-functionalized carbon chains by Ni-catalyzed carbosulfonylation of butadiene.","Organic & biomolecular chemistry","2025","23","15","3619","3628","10.1039/d5ob00402k","","x-ray","1.54184","CuKα","","0.0551","0.0468","","","0.1216","0.1294","","","","","","1.069","","","","has coordinates,has disorder","301158","2025-07-06","17:57:43",""
"7160421","10.7954","0.0014","11.574","0.0015","47.361","0.006","90","","90","","90","","5917.6","1.3","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 Co N4 O -","- C31 H39 Co N4 O -","- C248 H312 Co8 N32 O8 -","8","2","","Liu, Yan; Zhang, Xiang-Xin; Li, Xue-Ting; Xu, Su-Yang; Ji, Ding-Wei; Chen, Qing-An","Construction of multi-functionalized carbon chains by Ni-catalyzed carbosulfonylation of butadiene.","Organic & biomolecular chemistry","2025","23","15","3619","3628","10.1039/d5ob00402k","","","1.34139","GaKα","","0.057","0.0427","","","0.1018","0.1078","","","","","","1.004","","","","has coordinates","301158","2025-07-06","17:57:43",""
"7160422","12.3771","0.0002","7.62053","0.00017","33.9209","0.0007","90","","90","","90","","3199.42","0.11","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C144 H112 N16 O32 -","8","1","","Shen, Li-Wen; Lei, Shuang-Ling; Wang, Hong-Yan; Wang, Xin; Lu, Lin-Mu; Wang, Guang-Wei; Jia, Yun-Qing; Xiang, Min","Metal-free amination of alkenes based on maleimides.","Organic & biomolecular chemistry","2025","23","16","3865","3869","10.1039/d5ob00201j","","x-ray","1.54184","CuKα","","0.0621","0.0487","","","0.132","0.1465","","","","","","1.047","","","","has coordinates,has disorder","301132","2025-07-06","17:52:54",""
"7160423","12.1973","0.0015","8.1592","0.001","22.874","0.003","90","","92.147","0.002","90","","2274.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 F N3 S -","- C28 H20 F N3 S -","- C112 H80 F4 N12 S4 -","4","1","","Li, Qiuyun; Du, Tianyu; Feng, Xue; Zhang, Fan; Wang, Wei; Han, Zhongfei; Zhu, Yannan; Yan, Kelu; Hao, Wen-Juan; Jiang, Bo","Base-mediated synthesis of ring-fluorinated imidazo[1,2-<i>a</i>]pyridines <i>via</i> sequential C-F substitutions.","Organic & biomolecular chemistry","2025","23","15","3553","3557","10.1039/d5ob00035a","","","0.71073","MoKα","","0.0733","0.0528","","","0.1395","0.157","","","","","","1.047","","","","has coordinates","301152","2025-07-06","17:55:58",""
"7160424","12.3695","0.0002","7.3785","0.0001","18.8523","0.0004","90","","92.702","0.001","90","","1718.71","0.05","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N3 O2 -","- C23 H15 N3 O2 -","- C92 H60 N12 O8 -","4","1","","Ong, Khanh Thi Ngoc; Nguyen, Ha Thi Thu; Nguyen, Anh Thai; Luu, Vu Huynh; Tran, Dat Huy; Ca, Thuy Thi; Doan, Tan Le Hoang; Nguyen, Hung Huy; Nguyen, Tung Thanh","Silver-free, palladium-catalyzed arylation of pyrrolo[1,2-<i>a</i>]quinoxaline C-H bonds with aryl bromides.","Organic & biomolecular chemistry","2025","23","15","3562","3566","10.1039/d5ob00023h","","","1.54178","CuKα","","0.094","0.0598","","","0.1201","0.1506","","","","","","1.122","","","","has coordinates","301154","2025-07-06","17:56:25",""
"7160425","9.5806","0.0002","9.2512","0.0002","25.933","0.0005","90","","91.395","0.002","90","","2297.81","0.08","295","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O5 -","- C26 H26 N2 O5 -","- C104 H104 N8 O20 -","4","1","","Vikram, Vikrant Nawal; Chourasiya, Mohit; Kant, Ruchir; Tadigoppula, Narender","Ruthenium(II)-catalyzed synthesis of poly-substituted furans <i>via</i> intermolecular oxidative annulation of 3-(phenylethynyl) oxazolidin-2-ones.","Organic & biomolecular chemistry","2025","23","15","3567","3571","10.1039/d4ob02098g","","x-ray","1.54184","CuKα","","0.0766","0.0641","","","0.1855","0.1989","","","","","","1.09","","","","has coordinates","301155","2025-07-06","17:56:39",""
"7160426","31.0324","0.0014","31.0324","0.0014","7.7109","0.0004","90","","90","","90","","7425.7","0.6","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C9 H8 Cl2 O -","- C9 H8 Cl2 O -","- C288 H256 Cl64 O32 -","32","2","","Yang, Zhong-Lie; Wang, Zhen-Hua; Zhang, Yan-Ping; You, Yong; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Yuan, Wei-Cheng","Palladium-catalyzed decarboxylation of vinyloxazolidine-2,4-diones used in the divergent reaction with 2-alkynylphenols and 2-alkynylanilines.","Organic & biomolecular chemistry","2025","23","16","3942","3950","10.1039/d5ob00051c","","","0.71073","MoKα","","0.1393","0.093","","","0.1445","0.1588","","","","","","1.188","","","","has coordinates,has disorder","301128","2025-07-06","17:52:11",""
"7160427","32.4772","0.0004","32.4772","0.0004","5.0038","0.0001","90","","90","","90","","5277.85","0.14","169.98","0.1","169.98","0.1","","","","","","","","4","I -4","I -4","82","","","","- C32 H27 N O3 -","- C32 H27 N O3 -","- C256 H216 N8 O24 -","8","1","","Yang, Zhong-Lie; Wang, Zhen-Hua; Zhang, Yan-Ping; You, Yong; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Yuan, Wei-Cheng","Palladium-catalyzed decarboxylation of vinyloxazolidine-2,4-diones used in the divergent reaction with 2-alkynylphenols and 2-alkynylanilines.","Organic & biomolecular chemistry","2025","23","16","3942","3950","10.1039/d5ob00051c","","x-ray","1.54184","CuKα","","0.0334","0.0323","","","0.0827","0.0836","","","","","","1.062","","","","has coordinates","301128","2025-07-06","17:52:11",""
"7160428","8.563","0.002","17.298","0.003","11.84","0.002","90","0.03","92.17","0.03","90","0.03","1752.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H80 Cl4 F12 N4 O4 -","- C68 H80 Cl4 F12 N4 O4 -","- C68 H80 Cl4 F12 N4 O4 -","1","0.25","","Zhang, Xiaole; Wang, Wengui; Wang, Shoufeng","Three-component Minisci reaction involving trifluoromethyl radicals promoted by TBHP.","Organic & biomolecular chemistry","2025","23","16","3830","3835","10.1039/d5ob00240k","","","0.71073","MoKα","","0.104","0.0614","","","0.1859","0.2085","","","","","","1.128","","","","has coordinates","301133","2025-07-06","17:52:59",""
"7160429","18.3294","0.0019","14.7101","0.0015","5.7414","0.0005","90","","93.577","0.006","90","","1545","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl N2 O -","- C18 H15 Cl N2 O -","- C72 H60 Cl4 N8 O4 -","4","1","","Zaytsev, Vladimir P.; Simakova, Daria N.; Maslova, Viktoria S.; Ilyushenkova, Valentina V.; Novikov, Roman A.; Grigoriev, Mikhail S.; Danilov, Roman D.; Litvinov, Roman; Kolesnik, Irina A.; Potkin, Vladimir I.; Zubkov, Fedor I.","The IMDAV reaction between 3-(isoxazol-3-yl)allylamines and maleic anhydrides: an unusual approach to pyrrolo[3,4-<i>c</i>]pyridine derivatives, possessing anti-inflammatory activity.","Organic & biomolecular chemistry","2025","23","16","3925","3936","10.1039/d5ob00040h","","","0.71073","MoKα","","0.1804","0.0581","","","0.1228","0.1679","","","","","","0.923","","","","has coordinates","301126","2025-07-06","17:51:56",""
"7160430","40.8182","0.0017","6.3454","0.0003","14.8844","0.0006","90","","108.25","0.002","90","","3661.3","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Cl N2 O2 -","- C22 H19 Cl N2 O2 -","- C176 H152 Cl8 N16 O16 -","8","1","","Zaytsev, Vladimir P.; Simakova, Daria N.; Maslova, Viktoria S.; Ilyushenkova, Valentina V.; Novikov, Roman A.; Grigoriev, Mikhail S.; Danilov, Roman D.; Litvinov, Roman; Kolesnik, Irina A.; Potkin, Vladimir I.; Zubkov, Fedor I.","The IMDAV reaction between 3-(isoxazol-3-yl)allylamines and maleic anhydrides: an unusual approach to pyrrolo[3,4-<i>c</i>]pyridine derivatives, possessing anti-inflammatory activity.","Organic & biomolecular chemistry","2025","23","16","3925","3936","10.1039/d5ob00040h","","","0.71073","MoKα","","0.162","0.0628","","","0.1476","0.1902","","","","","","1.002","","","","has coordinates","301126","2025-07-06","17:51:56",""
"7160431","13.6337","0.0012","12.034","0.0009","11.0008","0.0009","90","","107.466","0.005","90","","1721.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","","Zaytsev, Vladimir P.; Simakova, Daria N.; Maslova, Viktoria S.; Ilyushenkova, Valentina V.; Novikov, Roman A.; Grigoriev, Mikhail S.; Danilov, Roman D.; Litvinov, Roman; Kolesnik, Irina A.; Potkin, Vladimir I.; Zubkov, Fedor I.","The IMDAV reaction between 3-(isoxazol-3-yl)allylamines and maleic anhydrides: an unusual approach to pyrrolo[3,4-<i>c</i>]pyridine derivatives, possessing anti-inflammatory activity.","Organic & biomolecular chemistry","2025","23","16","3925","3936","10.1039/d5ob00040h","","","0.71073","MoKα","","0.1381","0.0579","","","0.1147","0.1414","","","","","","1.003","","","","has coordinates,has disorder","301126","2025-07-06","17:51:56",""
"7160432","5.41","0.0014","27.059","0.007","13.46","0.003","90","","96.408","0.018","90","","1958.1","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F3 N2 O2 -","- C23 H19 F3 N2 O2 -","- C92 H76 F12 N8 O8 -","4","1","","Zaytsev, Vladimir P.; Simakova, Daria N.; Maslova, Viktoria S.; Ilyushenkova, Valentina V.; Novikov, Roman A.; Grigoriev, Mikhail S.; Danilov, Roman D.; Litvinov, Roman; Kolesnik, Irina A.; Potkin, Vladimir I.; Zubkov, Fedor I.","The IMDAV reaction between 3-(isoxazol-3-yl)allylamines and maleic anhydrides: an unusual approach to pyrrolo[3,4-<i>c</i>]pyridine derivatives, possessing anti-inflammatory activity.","Organic & biomolecular chemistry","2025","23","16","3925","3936","10.1039/d5ob00040h","","","0.71073","MoKα","","0.3628","0.1167","","","0.2072","0.3037","","","","","","0.937","","","","has coordinates","301126","2025-07-06","17:51:56",""
"7160433","23.2034","0.0017","6.2396","0.0005","22.4373","0.0018","90","","90","","90","","3248.5","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C168 H144 N16 O16 -","8","2","","Zaytsev, Vladimir P.; Simakova, Daria N.; Maslova, Viktoria S.; Ilyushenkova, Valentina V.; Novikov, Roman A.; Grigoriev, Mikhail S.; Danilov, Roman D.; Litvinov, Roman; Kolesnik, Irina A.; Potkin, Vladimir I.; Zubkov, Fedor I.","The IMDAV reaction between 3-(isoxazol-3-yl)allylamines and maleic anhydrides: an unusual approach to pyrrolo[3,4-<i>c</i>]pyridine derivatives, possessing anti-inflammatory activity.","Organic & biomolecular chemistry","2025","23","16","3925","3936","10.1039/d5ob00040h","","","0.71073","MoKα","","0.1448","0.1018","","","0.2458","0.2764","","","","","","1.025","","","","has coordinates","301126","2025-07-06","17:51:56",""
"7160434","9.7654","0.0004","10.6359","0.0005","24.7507","0.0009","90","","93.508","0.004","90","","2565.89","0.19","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H37 N O3 -","- C29 H37 N O3 -","- C116 H148 N4 O12 -","4","2","","Wu, Jing; Guo, Xinman; Zou, Jinghan; Wang, Ziyu; Chang, Weixing; Liu, Lingyan; Li, Jing","Ni-catalyzed highly regioselective carboborylation bifunctionalization of allenes: access to α-substituted-γ-boro-δ-enoates.","Organic & biomolecular chemistry","2025","23","16","3894","3898","10.1039/d5ob00364d","","x-ray","1.54184","CuKα","","0.1191","0.1073","","","0.2661","0.2757","","","","","","1.052","","","","has coordinates,has disorder","301127","2025-07-06","17:52:02",""
"7160435","10.54932","0.00014","10.64007","0.00018","21.4433","0.0003","90","","90","","90","","2406.91","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N3 O3 -","- C28 H27 N3 O3 -","- C112 H108 N12 O12 -","4","1","","Gao, Su-Fan; Fu, Xiao; Zhang, Qian-Mao; Tang, Ren-Zhi; Wan, Wen-Juan; Wang, Li-Xin","New axially chiral biaryl quinoline ligands specifically partnered with AgOTf enabled an enantioselective aza-Friedel-Crafts reaction.","Organic & biomolecular chemistry","2025","23","17","4100","4105","10.1039/d5ob00231a","","x-ray","1.54184","CuKα","","0.046","0.0432","","","0.1173","0.1209","","","","","","1.036","","","","has coordinates","301103","2025-07-06","17:47:37",""
"7160436","5.2763","0.0004","22.1253","0.0017","14.7638","0.0012","90","","95.053","0.002","90","","1716.8","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O3 S -","- C19 H20 O3 S -","- C76 H80 O12 S4 -","4","1","","Ballanki, Trinadh; Subramanian, Aishwarya; Viswambharan, Baby","One-pot chemoselective aerobic synthesis of allyl-aryl sulfinyls by photoinduced Na<sub>2</sub> - eosin Y.","Organic & biomolecular chemistry","2025","23","17","4152","4160","10.1039/d5ob00181a","","","0.71073","MoKα","","0.0919","0.051","","","0.1182","0.1484","","","","","","1.06","","","","has coordinates","301112","2025-07-06","17:48:47",""
"7160437","22.019","0.01","12.786","0.006","10.554","0.004","90","","90","","90","","2971","2","99.94","","99.94","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H27 Cl2 N9 O2 -","- C32 H27 Cl2 N9 O2 -","- C128 H108 Cl8 N36 O8 -","4","1","","Ozturk, Sena; Davis, Alexander R.; Seaton, Colin C.; Male, Louise; Pike, Sarah J.","Solvatomorphism of a 2,6-pyridyldicarboxamide-based foldamer.","Organic & biomolecular chemistry","2025","23","23","5590","5599","10.1039/d5ob00342c","","","0.71073","MoKα","","0.2424","0.0788","","","0.1666","0.2322","","","","","","0.931","","","","has coordinates","301176","2025-07-06","18:00:19",""
"7160438","11.5123","0.0005","10.4201","0.0005","12.7453","0.0005","90","","92.318","0.004","90","","1527.67","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H33 N9 O3 -","- C35 H33 N9 O3 -","- C70 H66 N18 O6 -","2","1","","Ozturk, Sena; Davis, Alexander R.; Seaton, Colin C.; Male, Louise; Pike, Sarah J.","Solvatomorphism of a 2,6-pyridyldicarboxamide-based foldamer.","Organic & biomolecular chemistry","2025","23","23","5590","5599","10.1039/d5ob00342c","","x-ray","1.54184","CuKα","","0.0505","0.0448","","","0.1112","0.1161","","","","","","1.055","","","","has coordinates,has disorder","301176","2025-07-06","18:00:21",""
"7160439","20.5174","0.0002","10.262","0.0001","26.9629","0.0002","90","","91.129","0.001","90","","5675.92","0.09","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 N9 O3 -","- C32 H29 N9 O3 -","- C256 H232 N72 O24 -","8","2","","Ozturk, Sena; Davis, Alexander R.; Seaton, Colin C.; Male, Louise; Pike, Sarah J.","Solvatomorphism of a 2,6-pyridyldicarboxamide-based foldamer.","Organic & biomolecular chemistry","2025","23","23","5590","5599","10.1039/d5ob00342c","","","0.6889","Synchrotron","","0.0659","0.0495","","","0.1391","0.1468","","","","","","1.051","","","","has coordinates","301176","2025-07-06","18:00:21",""
"7160440","17.5812","0.0001","42.4637","0.0002","7.0686","0.00005","90","","95.571","0.001","90","","5252.23","0.05","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 N9 O2 -","- C31 H25 N9 O2 -","- C248 H200 N72 O16 -","8","2","","Ozturk, Sena; Davis, Alexander R.; Seaton, Colin C.; Male, Louise; Pike, Sarah J.","Solvatomorphism of a 2,6-pyridyldicarboxamide-based foldamer.","Organic & biomolecular chemistry","2025","23","23","5590","5599","10.1039/d5ob00342c","","","0.6889","Synchrotron","","0.1041","0.058","","","0.1483","0.1615","","","","","","1.029","","","","has coordinates,has disorder","301176","2025-07-06","18:00:21",""
"7160441","11.5641","0.0001","38.6957","0.0004","12.3434","0.0001","90","","104.457","0.001","90","","5348.54","0.09","103","6","103","6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 N9 O2 -","- C31 H25 N9 O2 -","- C248 H200 N72 O16 -","8","2","","Ozturk, Sena; Davis, Alexander R.; Seaton, Colin C.; Male, Louise; Pike, Sarah J.","Solvatomorphism of a 2,6-pyridyldicarboxamide-based foldamer.","Organic & biomolecular chemistry","2025","23","23","5590","5599","10.1039/d5ob00342c","","x-ray","1.54184","CuKα","","0.0555","0.0469","","","0.12","0.1369","","","","","","1.108","","","","has coordinates","301176","2025-07-06","18:00:21",""
"7160442","11.7137","0.0002","10.3944","0.0002","12.6481","0.0002","90","","93.461","0.001","90","","1537.18","0.05","99.99","0.16","99.99","0.16","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H33 N9 O3 -","- C35 H33 N9 O3 -","- C70 H66 N18 O6 -","2","1","","Ozturk, Sena; Davis, Alexander R.; Seaton, Colin C.; Male, Louise; Pike, Sarah J.","Solvatomorphism of a 2,6-pyridyldicarboxamide-based foldamer.","Organic & biomolecular chemistry","2025","23","23","5590","5599","10.1039/d5ob00342c","","x-ray","1.54184","CuKα","","0.0475","0.044","","","0.1187","0.1215","","","","","","1.054","","","","has coordinates,has disorder","301176","2025-07-06","18:00:21",""
"7160443","11.5089","0.0005","10.4369","0.0004","12.6459","0.0005","90","","90.842","0.004","90","","1518.83","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H31 N9 O3 S -","- C33 H31 N9 O3 S -","- C66 H62 N18 O6 S2 -","2","1","","Ozturk, Sena; Davis, Alexander R.; Seaton, Colin C.; Male, Louise; Pike, Sarah J.","Solvatomorphism of a 2,6-pyridyldicarboxamide-based foldamer.","Organic & biomolecular chemistry","2025","23","23","5590","5599","10.1039/d5ob00342c","","x-ray","1.54184","CuKα","","0.0938","0.0788","","","0.2116","0.2337","","","","","","1.04","","","","has coordinates,has disorder","301176","2025-07-06","18:00:21",""
"7160444","11.5769","0.0001","38.7107","0.0002","12.3461","0.0001","90","","104.755","0.001","90","","5350.45","0.07","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 N9 O2 -","- C31 H25 N9 O2 -","- C248 H200 N72 O16 -","8","2","","Ozturk, Sena; Davis, Alexander R.; Seaton, Colin C.; Male, Louise; Pike, Sarah J.","Solvatomorphism of a 2,6-pyridyldicarboxamide-based foldamer.","Organic & biomolecular chemistry","2025","23","23","5590","5599","10.1039/d5ob00342c","","x-ray","1.54184","CuKα","","0.0415","0.0376","","","0.1001","0.1024","","","","","","1.037","","","","has coordinates","301176","2025-07-06","18:00:21",""
"7160445","4.987","0.0001","9.0189","0.0002","19.7788","0.0004","90","","93.055","0.002","90","","888.33","0.03","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N4 -","- C9 H10 N4 -","- C36 H40 N16 -","4","1","","Ansari, Danish; Jaiswal, Manoj K.; Yadav, Mangal S.; Pandey, Vinay K.; Singh, Mayank; Tiwari, Vinod K.","Biocompatible silicomolybdic acid-promoted one-pot expeditious synthesis of 1,2,3-<i>NH</i>-triazoles.","Organic & biomolecular chemistry","2025","23","17","4045","4057","10.1039/d5ob00298b","","x-ray","1.54184","CuKα","","0.096","0.0897","","","0.2608","0.2646","","","","","","1.116","","","","has coordinates","301105","2025-07-06","17:47:50",""
"7160446","7.6372","0.0004","18.5055","0.0009","12.0312","0.0006","90","","107.348","0.002","90","","1623.02","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Li, Min; Wei, Yin; Shi, Min","Electrochemically promoted tandem cyclization of functionalized methylenecyclopropanes: synthesis of tetracyclic benzazepine derivatives.","Organic & biomolecular chemistry","2025","23","17","4166","4171","10.1039/d5ob00238a","","","0.71073","MoKα","","0.0665","0.0506","","","0.1278","0.1418","","","","","","1.018","","","","has coordinates","301107","2025-07-06","17:48:01",""
"7160447","10.2505","0.0003","14.1312","0.0004","12.6158","0.0003","90","","92.263","0.003","90","","1826","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Cl2 Fe N3 O2 -","- C15 H23 Cl2 Fe N3 O2 -","- C60 H92 Cl8 Fe4 N12 O8 -","4","1","","Saha, Ratnakar; Hembram, Bhairab Chand; Panda, Asutosh; Bagh, Bidraha","Iron-catalyzed peroxidation of fluorenes and 9-alkyl-9<i>H</i>-fluorenes and oxidative cleavage of the CC bond in 9-alkylidene-fluorenes.","Organic & biomolecular chemistry","2025","23","17","4232","4239","10.1039/d5ob00102a","","x-ray","1.54184","CuKα","","0.0448","0.0422","","","0.1195","0.1216","","","","","","1.077","","","","has coordinates","301104","2025-07-06","17:47:43",""
"7160448","7.7745","0.0007","8.9918","0.0009","11.1848","0.0011","84.052","0.002","77.84","0.002","78.812","0.002","748.22","0.12","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 N2 O5 S -","- C15 H12 N2 O5 S -","- C30 H24 N4 O10 S2 -","2","1","","Rahman, Parbin; Chakraborty, Nikita; Patel, Bhisma K.; Rajbongshi, Kamal K.","NaI-mediated α-keto-acylation of <i>NH</i>-sulfoximines with aryl methyl ketones.","Organic & biomolecular chemistry","2025","23","17","4036","4040","10.1039/d5ob00166h","","","0.71073","MoKα","","0.05","0.0423","","","0.1038","0.1153","","","","","","0.985","","","","has coordinates","301110","2025-07-06","17:48:33",""
"7160449","4.0759","0.0002","7.1675","0.0004","10.487","0.0006","96.968","0.003","93.261","0.003","91.06","0.003","303.51","0.03","303","","303","","","","","","","","","3","P 1","P 1","1","","","","- C15 H10 O4 -","- C15 H10 O4 -","- C15 H10 O4 -","1","1","","Cai, Hui; Song, Chaoyang; Ling, Dan; Deng, Youlin; Jin, Zhichao; Li, Tingting","Access to chiral phthalidyl ester prodrugs <i>via</i> an isothiourea-catalyzed dynamic kinetic resolution reaction.","Organic & biomolecular chemistry","2025","23","15","3680","3688","10.1039/d4ob02057j","","","1.54184","CuKα","","0.0329","0.0327","","","0.0907","0.0908","","","","","","1.043","","","","has coordinates","301151","2025-07-06","17:55:52",""
"7160450","11.4787","0.0005","9.936","0.0004","19.7801","0.0008","90","","104.907","0.002","90","","2180.04","0.16","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H33 N O -","- C25 H33 N O -","- C100 H132 N4 O4 -","4","1","","Mamale, Ajay G.; Ghodake, Balaji M.; Gonnade, Rajesh G.; Bhattacharya, Asish K.","Catalyst and transition-metal free 1,6-conjugate addition of azobisisobutyronitrile: access to isobutyronitrile containing diarylmethanes.","Organic & biomolecular chemistry","2025","23","16","3956","3966","10.1039/d5ob00012b","","","0.71073","MoKα","","0.1211","0.0569","","","0.1282","0.1605","","","","","","1.025","","","","has coordinates","301129","2025-07-06","17:52:17",""
"7160451","12.1841","0.0011","28.351","0.003","12.5884","0.0011","90","","102.288","0.004","90","","4248.8","0.7","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H49 Cl2 N3 O Pd -","- C46 H49 Cl2 N3 O Pd -","- C184 H196 Cl8 N12 O4 Pd4 -","4","1","","Deng, Qinyue; Lin, Tenglong; Liu, Xiaohu; Shao, Han; Lv, Xiaojun; Wu, Xiaoting; Xiong, Fei; Li, Wanfang","A novel acenaphthoimidazolyidene oxazolinic palladium complex and its efficient catalysis in Suzuki-Miyaura cross-coupling reactions of <i>N</i>-acyl-glutarimides <i>via</i> N-C cleavage.","Organic & biomolecular chemistry","2025","23","17","4063","4068","10.1039/d5ob00279f","","","1.34139","GaKα","","0.0405","0.0341","","","0.0865","0.0899","","","","","","1.044","","","","has coordinates","301113","2025-07-06","17:48:54",""
"7160452","9.2194","0.0012","10.0506","0.0014","10.4838","0.0014","101.017","0.008","101.391","0.007","93.642","0.007","929.6","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H16 N2 O2 -","- C25 H16 N2 O2 -","- C50 H32 N4 O4 -","2","1","","Mondal, Nurabul; Kumari, Vidya; Ali, Danish; Choudhury, Lokman H.","Synthesis of indole-linked β-cyano-enones: a pathway to indolyl-2-pyrrolones.","Organic & biomolecular chemistry","2025","23","16","3913","3924","10.1039/d5ob00328h","","x-ray","0.71073","MoKα","","0.1669","0.1078","","","0.1599","0.1812","","","","","","1.242","","","","has coordinates","301130","2025-07-06","17:52:35",""
"7160453","10.4772","0.0006","22.4464","0.0013","9.0718","0.0004","90","","96.262","0.002","90","","2120.7","0.2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O2 -","- C19 H13 N3 O2 -","- C76 H52 N12 O8 -","4","1","","Mondal, Nurabul; Kumari, Vidya; Ali, Danish; Choudhury, Lokman H.","Synthesis of indole-linked β-cyano-enones: a pathway to indolyl-2-pyrrolones.","Organic & biomolecular chemistry","2025","23","16","3913","3924","10.1039/d5ob00328h","","x-ray","0.71073","MoKα","","0.0826","0.0735","","","0.2339","0.2429","","","","","","1.034","","","","has coordinates","301130","2025-07-06","17:52:35",""
"7160454","13.5858","0.0008","7.0142","0.0004","19.7041","0.0011","90","","95.905","0.002","90","","1867.71","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 N3 O -","- C20 H13 N3 O -","- C80 H52 N12 O4 -","4","1","","Mondal, Nurabul; Kumari, Vidya; Ali, Danish; Choudhury, Lokman H.","Synthesis of indole-linked β-cyano-enones: a pathway to indolyl-2-pyrrolones.","Organic & biomolecular chemistry","2025","23","16","3913","3924","10.1039/d5ob00328h","","","0.71073","MoKα","","0.0763","0.0614","","","0.167","0.1784","","","","","","1.054","","","","has coordinates","301130","2025-07-06","17:52:35",""
"7160455","9.1769","0.0003","7.4272","0.0002","18.6039","0.0006","90","","101.568","0.003","90","","1242.26","0.07","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-(4-fluorophenyl)-4-phenyl-4H-1,2,4-oxadiazin-5(6H)-one","UBJ-1072","","- C15 H11 F N2 O2 -","- C15 H11 F N2 O2 -","- C60 H44 F4 N8 O8 -","4","1","","Presnukhina, Sofia I.; Baykova, Svetlana O.; Chukanova, Elizaveta A.; Metalnikova, Nadezhda M.; Baykov, Sergey V.; Soldatova, Natalia S.; Postnikov, Pavel S.; Boyarskiy, Vadim P.","Copper-catalyzed <i>N</i>-arylation of 1,2,4-oxadiazin-5(6<i>H</i>)-ones by diaryliodonium salts.","Organic & biomolecular chemistry","2025","23","17","4217","4225","10.1039/d5ob00204d","","x-ray","1.54184","CuKα","","0.0486","0.0425","","","0.1137","0.121","","","","","","1.0548","","","","has coordinates","301108","2025-07-06","17:48:20",""
"7160456","6.9399","0.0003","7.2091","0.0004","9.0838","0.0004","88.303","0.004","68.988","0.004","76.975","0.004","412.68","0.04","99.98","0.19","99.98","0.19","","","","","","","","5","P -1","-P 1","2","","3-(4-fluorophenyl)-4H-1,2,4-oxadiazin-5(6H)-one","","- C9 H7 F N2 O2 -","- C9 H7 F N2 O2 -","- C18 H14 F2 N4 O4 -","2","1","","Presnukhina, Sofia I.; Baykova, Svetlana O.; Chukanova, Elizaveta A.; Metalnikova, Nadezhda M.; Baykov, Sergey V.; Soldatova, Natalia S.; Postnikov, Pavel S.; Boyarskiy, Vadim P.","Copper-catalyzed <i>N</i>-arylation of 1,2,4-oxadiazin-5(6<i>H</i>)-ones by diaryliodonium salts.","Organic & biomolecular chemistry","2025","23","17","4217","4225","10.1039/d5ob00204d","","x-ray","1.54184","CuKα","","0.0419","0.0381","","","0.1037","0.1079","","","","","","1.0873","","","","has coordinates","301108","2025-07-06","17:48:20",""
"7160457","5.7761","0.0003","9.185","0.0004","12.8929","0.0004","105.632","0.003","92.203","0.003","100.013","0.004","646.05","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","3-(4-bromophenyl)-4-phenyl-4H-1,2,4-oxadiazin-5(6H)-one","UBJ-1124","","- C15 H11 Br N2 O2 -","- C15 H11 Br N2 O2 -","- C30 H22 Br2 N4 O4 -","2","1","","Presnukhina, Sofia I.; Baykova, Svetlana O.; Chukanova, Elizaveta A.; Metalnikova, Nadezhda M.; Baykov, Sergey V.; Soldatova, Natalia S.; Postnikov, Pavel S.; Boyarskiy, Vadim P.","Copper-catalyzed <i>N</i>-arylation of 1,2,4-oxadiazin-5(6<i>H</i>)-ones by diaryliodonium salts.","Organic & biomolecular chemistry","2025","23","17","4217","4225","10.1039/d5ob00204d","","x-ray","1.54184","CuKα","","0.0325","0.0319","","","0.0823","0.083","","","","","","1.0424","","","","has coordinates","301108","2025-07-06","17:48:20",""
"7160458","8.2385","0.0003","11.3733","0.0003","12.0528","0.0004","116.505","0.003","94.639","0.003","100.632","0.003","976.03","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","3-(4-(trifluoromethyl)phenyl)-4H-1,2,4-oxadiazin-5(6H)-one","","- C10 H7 F3 N2 O2 -","- C10 H7 F3 N2 O2 -","- C40 H28 F12 N8 O8 -","4","2","","Presnukhina, Sofia I.; Baykova, Svetlana O.; Chukanova, Elizaveta A.; Metalnikova, Nadezhda M.; Baykov, Sergey V.; Soldatova, Natalia S.; Postnikov, Pavel S.; Boyarskiy, Vadim P.","Copper-catalyzed <i>N</i>-arylation of 1,2,4-oxadiazin-5(6<i>H</i>)-ones by diaryliodonium salts.","Organic & biomolecular chemistry","2025","23","17","4217","4225","10.1039/d5ob00204d","","x-ray","1.54184","CuKα","","0.0594","0.0505","","","0.142","0.148","","","","","","1.0471","","","","has coordinates","301108","2025-07-06","17:48:20",""
"7160459","6.261","0.002","17.992","0.004","14.418","0.003","90","0.03","98.23","0.03","90","0.03","1607.4","0.7","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H92 N4 O8 -","- C64 H92 N4 O8 -","- C64 H92 N4 O8 -","1","0.25","","Huang, Haibo; Zhao, Yu; Zhang, Li; Li, Yan; Fang, Yewen","Redox-neutral-photocatalyzed decarboxylative radical addition/acyl migration cascade process: modular access to functionalized α-(hetero)aryl-α-aminoketones.","Organic & biomolecular chemistry","2025","23","17","4079","4083","10.1039/d5ob00290g","","","0.71073","MoKα","","0.0686","0.0555","","","0.1466","0.1605","","","","","","1.0658","","","","has coordinates","301116","2025-07-06","17:49:15",""
"7160460","22.608","0.003","5.6779","0.0007","18.838","0.002","90","","101.948","0.009","90","","2365.8","0.5","307","","307","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H24 F3 O3 P -","- C25 H24 F3 O3 P -","- C100 H96 F12 O12 P4 -","4","1","","Zhang, Shuaibo; Liu, Yunzhe; Sun, Luyang; Wang, Bangzhong; Zhao, Jinfeng; Qu, Jingping; Zhou, Yuhan","Palladium-catalyzed regio- and enantio-selective trifluoromethylated allylic alkylation of diphenylphosphine oxides.","Organic & biomolecular chemistry","2025","23","18","4457","4462","10.1039/d5ob00096c","","","1.54178","CuKα","","0.0427","0.0409","","","0.1168","0.1189","","","","","","1.088","","","","has coordinates,has disorder","301165","2025-07-06","17:58:32",""
"7160461","8.5016","0.0004","11.7104","0.0005","14.3897","0.0006","90","","90","","90","","1432.6","0.11","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O6 -","- C15 H18 O6 -","- C60 H72 O24 -","4","1","","Maurya, Kanchan; Kaliappan, Krishna P.","A versatile approach toward enantiospecific synthesis of sugar-linked oxapolyquinanes <i>via</i> IPKR.","Organic & biomolecular chemistry","2025","23","18","4409","4420","10.1039/d4ob02016b","","x-ray","0.71073","MoKα","","0.0519","0.0397","","","0.089","0.0972","","","","","","1.025","","","","has coordinates","301169","2025-07-06","17:59:05",""
"7160462","7.2184","0.0004","7.8161","0.0005","22.5614","0.0014","90","","90","","90","","1272.91","0.13","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O6 -","- C14 H16 O6 -","- C56 H64 O24 -","4","1","","Maurya, Kanchan; Kaliappan, Krishna P.","A versatile approach toward enantiospecific synthesis of sugar-linked oxapolyquinanes <i>via</i> IPKR.","Organic & biomolecular chemistry","2025","23","18","4409","4420","10.1039/d4ob02016b","","x-ray","0.71073","MoKα","","0.0702","0.0591","","","0.1495","0.1682","","","","","","1.049","","","","has coordinates","301169","2025-07-06","17:59:05",""
"7160463","22.6546","0.0007","14.3623","0.0004","5.623","0.0001","90","","90","","90","","1829.57","0.08","150","0.1","150","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H26 O7 -","- C20 H26 O7 -","- C80 H104 O28 -","4","1","","Maurya, Kanchan; Kaliappan, Krishna P.","A versatile approach toward enantiospecific synthesis of sugar-linked oxapolyquinanes <i>via</i> IPKR.","Organic & biomolecular chemistry","2025","23","18","4409","4420","10.1039/d4ob02016b","","x-ray","0.71073","MoKα","","0.0838","0.0588","","","0.1388","0.1565","","","","","","1.025","","","","has coordinates","301169","2025-07-06","17:59:05",""
"7160464","7.2189","0.0003","25.5663","0.0011","9.9465","0.0006","90","","91.788","0.004","90","","1834.84","0.16","272.7","0.8","272.7","0.8","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N5 O -","- C17 H15 N5 O -","- C68 H60 N20 O4 -","4","2","","Ahmad, Shifa; Hashim, P. K.; Imajo, Masamichi; Cheruthu, Nusaiba Madappuram; Takahashi, Kiyonori; Tanaka, Shinya; Nakamura, Takayoshi; Tamaoki, Nobuyuki","Photoswitchable agonists for visible-light activation of the Wnt signaling pathway.","Organic & biomolecular chemistry","2025","23","17","4240","4245","10.1039/d4ob01827c","","x-ray","1.54184","CuKα","","0.0716","0.0496","","","0.1335","0.1484","","","","","","0.979","","","","has coordinates","301109","2025-07-06","17:48:27",""
"7160465","7.37273","0.00019","9.004","0.0003","16.1224","0.0004","96.732","0.002","95.788","0.002","94.114","0.002","1053.68","0.05","222.9","0.3","222.9","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N5 O5 -","- C22 H23 N5 O5 -","- C44 H46 N10 O10 -","2","1","","Ahmad, Shifa; Hashim, P. K.; Imajo, Masamichi; Cheruthu, Nusaiba Madappuram; Takahashi, Kiyonori; Tanaka, Shinya; Nakamura, Takayoshi; Tamaoki, Nobuyuki","Photoswitchable agonists for visible-light activation of the Wnt signaling pathway.","Organic & biomolecular chemistry","2025","23","17","4240","4245","10.1039/d4ob01827c","","x-ray","1.54184","CuKα","","0.0532","0.0424","","","0.1237","0.1328","","","","","","1.063","","","","has coordinates","301109","2025-07-06","17:48:27",""
"7160466","19.2905","0.0002","19.2905","0.0002","21.2551","0.0005","90","","90","","90","","7909.5","0.2","301","2","301","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C34 H37 Cl N2 O8 S -","- C34 H37 Cl N2 O8 S -","- C272 H296 Cl8 N16 O64 S8 -","8","1","","Wu, Sheng-Feng; Wang, Zhi-Yuan; Sun, Xing-Wen","Organocatalytic cyclization-rearrangement cascade reaction: asymmetric construction of γ-lactams.","Organic & biomolecular chemistry","2025","23","17","4197","4205","10.1039/d5ob00010f","","","1.54178","CuKα","","0.1003","0.0557","","","0.1321","0.159","","","","","","0.965","","","","has coordinates","301118","2025-07-06","17:49:33",""
"7160467","15.9986","0.0007","28.8588","0.0012","12.5342","0.0005","90","","90","","90","","5787","0.4","100","","100","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C240 H288 O80 -","16","1","","Varma, A. Anagha; Gopinath, Purushothaman","Dual palladium-organophotoredox catalyzed C-H olefination-annulation of aryl carboxylic acids.","Organic & biomolecular chemistry","2025","23","18","4398","4402","10.1039/d5ob00275c","","","0.71073","MoKα","","0.0308","0.0303","","","0.0834","0.0838","","","","","","1.076","","","","has coordinates","301163","2025-07-06","17:58:20",""
"7160468","4.7983","0.0002","12.3215","0.0006","22.008","0.0011","90","","90","","90","","1301.16","0.11","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","","Varma, A. Anagha; Gopinath, Purushothaman","Dual palladium-organophotoredox catalyzed C-H olefination-annulation of aryl carboxylic acids.","Organic & biomolecular chemistry","2025","23","18","4398","4402","10.1039/d5ob00275c","","","0.71073","MoKα","","0.0366","0.0348","","","0.0923","0.0932","","","","","","1.034","","","","has coordinates","301163","2025-07-06","17:58:20",""
"7160469","7.4228","0.0003","12.377","0.0004","15.3766","0.0005","76.468","0.003","76.054","0.003","81.669","0.003","1327.1","0.08","149.99","0.1","149.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C27 H34 Cl F2 N O Si -","- C27 H34 Cl F2 N O Si -","- C54 H68 Cl2 F4 N2 O2 Si2 -","2","1","","Chen, Shu-Jie; Lin, Jin-Hao; Wu, Jia-Ming; Li, You-Hong; Dong, Bao-Le; Chen, Guo-Shu; Liu, Yun-Lin","Visible-light-induced difunctionalization of β-CF<sub>2</sub>H-1,3-enynes to access CF<sub>2</sub>H-containing all-carbon quaternary centers.","Organic & biomolecular chemistry","2025","23","17","4069","4073","10.1039/d5ob00425j","","x-ray","0.71073","MoKα","","0.0669","0.0495","","","0.1372","0.1582","","","","","","1.016","","","","has coordinates","301114","2025-07-06","17:49:04",""
"7160470","9.7838","0.001","11.8694","0.0013","18.5982","0.0019","79.676","0.003","86.767","0.003","77.991","0.003","2077.9","0.4","168","2","168","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N O3 S -","- C24 H23 N O3 S -","- C96 H92 N4 O12 S4 -","4","2","","Chowdhury, Raghunath","EosinY and copper-catalyzed oxidative [2 + 3] annulation of glycine esters with oxiranes and thiiranes under light free conditions.","Organic & biomolecular chemistry","2025","23","18","4376","4382","10.1039/d5ob00148j","","","0.71073","MoKα","","0.0551","0.0385","","","0.0876","0.0955","","","","","","1.025","","","","has coordinates","301164","2025-07-06","17:58:26",""
"7160471","15.854","0.007","8.493","0.004","26.645","0.011","90","","101.786","0.005","90","","3512","3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 F3 N3 O -","- C18 H18 F3 N3 O -","- C144 H144 F24 N24 O8 -","8","2","","Udari, Ganesh; Jansi Rani, A.; Sridhar, B.; Singh, Surya Prakash","Visible light-promoted cascade synthesis of pyrazolidinones <i>via N</i>-aryl glycine and azomethine imines.","Organic & biomolecular chemistry","2025","23","19","4666","4670","10.1039/d5ob00497g","","","0.71073","MoKα","","0.1615","0.0763","","","0.2163","0.2698","","","","","","1.031","","","","has coordinates,has disorder","301121","2025-07-06","17:50:16",""
"7160472","9.6537","0.0004","12.677","0.0005","16.375","0.0006","90","","90","","90","","2003.97","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Alstoscholarisine M","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C84 H104 N8 O20 -","4","1","","Yu, Hao-Fei; Zhang, Lan-Chun; Mohamed, Khalid-Hassan; Li, Lei; Yao, Jian-Neng; Liu, Ya-Ping; Li, Xiao-Nian; Ding, Cai-Feng; Zhang, Rong-Ping; Luo, Xiao-Dong","Alstoscholarisine M, a 6,7-<i>seco</i>-vallesamine monoterpenoid indole alkaloid with antimicrobial activity from <i>Alstonia scholaris</i>.","Organic & biomolecular chemistry","2025","23","18","4451","4456","10.1039/d5ob00420a","","","1.54178","CuKα","","0.0282","0.0277","","","0.0969","0.0996","","","","","","0.935","","","","has coordinates","301168","2025-07-06","17:58:57",""
"7160473","11.8884","0.001","9.8535","0.0008","21.4916","0.0018","90","","92.855","0.002","90","","2514.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Br N O2 -","- C32 H28 Br N O2 -","- C128 H112 Br4 N4 O8 -","4","1","","Bai, Yongqi; Qi, Xingrui; Li, Hanjing; Ban, Yihui; Zhao, Rong; Wang, Yian; Zhang, Jingli; Sun, Taolei; Gao, Guanbin","Pd-catalyzed domino Heck cyclization/cross-coupling of indoles with β-chlorovinyl ketones: synthesis of furan-bearing indolo[2,1-<i>α</i>]isoquinolines with antifungal activity.","Organic & biomolecular chemistry","2025","23","14","3307","3313","10.1039/d5ob00165j","","","1.34139","GaKα","","0.0355","0.0345","","","0.0906","0.0912","","","","","","1.034","","","","has coordinates","298714","2025-04-04","19:58:31",""
"7160474","10.9684","0.0012","13.8538","0.0017","31.828","0.004","90","","98.319","0.003","90","","4785.5","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H43 Cl2 N3 O4 -","- C53 H43 Cl2 N3 O4 -","- C212 H172 Cl8 N12 O16 -","4","1","","Huang, Li; Ma, Wei-Qing; Sun, Jing; Han, Ying; Yan, Chao-Guo","Efficient construction of spirocyclopentane-1,3-dioxindoles <i>via</i> an annulation reaction of isocyanides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2025","23","13","3224","3230","10.1039/d5ob00206k","","","0.71073","MoKα","","0.2355","0.0901","","","0.2238","0.2591","","","","","","0.968","","","","has coordinates","298715","2025-04-04","20:00:27",""
"7160475","14.951","0.003","16.772","0.003","20.222","0.004","90","","93.259","0.005","90","","5062.6","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H47 F2 N3 O4 -","- C55 H47 F2 N3 O4 -","- C220 H188 F8 N12 O16 -","4","1","","Huang, Li; Ma, Wei-Qing; Sun, Jing; Han, Ying; Yan, Chao-Guo","Efficient construction of spirocyclopentane-1,3-dioxindoles <i>via</i> an annulation reaction of isocyanides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2025","23","13","3224","3230","10.1039/d5ob00206k","","","0.71073","MoKα","","0.2767","0.0977","","","0.2327","0.28","","","","","","0.926","","","","has coordinates","298715","2025-04-04","20:00:28",""
"7160476","15.8703","0.0015","10.8131","0.0008","22.598","0.002","90","","102.551","0.003","90","","3785.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 F2 N3 O6 -","- C41 H37 F2 N3 O6 -","- C164 H148 F8 N12 O24 -","4","1","","Huang, Li; Ma, Wei-Qing; Sun, Jing; Han, Ying; Yan, Chao-Guo","Efficient construction of spirocyclopentane-1,3-dioxindoles <i>via</i> an annulation reaction of isocyanides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2025","23","13","3224","3230","10.1039/d5ob00206k","","","0.71073","MoKα","","0.0999","0.051","","","0.1191","0.1404","","","","","","1.02","","","","has coordinates","298715","2025-04-04","20:00:28",""
"7160477","11.0531","0.0019","11.661","0.002","12.151","0.002","84.119","0.006","71.145","0.005","87.181","0.005","1474.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H28 Cl N3 O2 -","- C35 H28 Cl N3 O2 -","- C70 H56 Cl2 N6 O4 -","2","1","","Huang, Li; Ma, Wei-Qing; Sun, Jing; Han, Ying; Yan, Chao-Guo","Efficient construction of spirocyclopentane-1,3-dioxindoles <i>via</i> an annulation reaction of isocyanides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2025","23","13","3224","3230","10.1039/d5ob00206k","","","0.71073","MoKα","","0.0898","0.0521","","","0.1238","0.139","","","","","","1.041","","","","has coordinates","298715","2025-04-04","20:00:29",""
"7160478","8.313","0.004","13.728","0.005","15.146","0.006","72.714","0.011","82.722","0.014","86.047","0.013","1636.2","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H29 Cl4 N3 O2 -","- C36 H29 Cl4 N3 O2 -","- C72 H58 Cl8 N6 O4 -","2","1","","Huang, Li; Ma, Wei-Qing; Sun, Jing; Han, Ying; Yan, Chao-Guo","Efficient construction of spirocyclopentane-1,3-dioxindoles <i>via</i> an annulation reaction of isocyanides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2025","23","13","3224","3230","10.1039/d5ob00206k","","","0.71073","MoKα","","0.1708","0.0752","","","0.169","0.2147","","","","","","1.018","","","","has coordinates","298715","2025-04-04","20:00:29",""
"7160479","12.363","0.003","9.134","0.002","14.586","0.003","90","","91.078","0.01","90","","1646.8","0.6","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Raji Reddy, Chada; Sai Prakash, Kolli; Srinivasu, Ejjirotu; Subbarao, Muppidi; Balaji, Shiva Kumar Kota","A domino decarboxylative alkylation/annulation for the synthesis of pyrrolo-benzimidazolones.","Organic & biomolecular chemistry","2025","23","14","3358","3365","10.1039/d5ob00093a","","","0.71073","MoKα","","0.1064","0.0576","","","0.1281","0.1491","","","","","","1.031","","","","has coordinates,has disorder","298716","2025-04-04","20:01:36",""
"7160480","13.2397","0.0003","19.0851","0.0004","6.99979","0.00012","90","","93.802","0.0018","90","","1764.82","0.06","100","0.11","100","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O4 S -","- C21 H20 N2 O4 S -","- C84 H80 N8 O16 S4 -","4","1","","Migulin, Alexander V.; Milyutin, Constantine V.; Lichitsky, Boris V.; Korobkov, Stepan M.; Komogortsev, Andrey N.","Investigation of the photochemical behavior of allomaltol-containing 2-aminothiazole derivatives.","Organic & biomolecular chemistry","2025","23","17","4172","4185","10.1039/d5ob00264h","","x-ray","1.54184","CuKα","","0.0517","0.0489","","","0.1392","0.1419","","","","","","1.046","","","","has coordinates","301111","2025-07-06","17:48:42",""
"7160481","8.18997","0.00005","8.95782","0.00005","17.13924","0.00009","97.8836","0.0004","99.1687","0.0005","97.7247","0.0005","1213.81","0.012","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C22 H22 Cl I N4 O3 S -","- C22 H22 Cl I N4 O3 S -","- C44 H44 Cl2 I2 N8 O6 S2 -","2","1","","Migulin, Alexander V.; Milyutin, Constantine V.; Lichitsky, Boris V.; Korobkov, Stepan M.; Komogortsev, Andrey N.","Investigation of the photochemical behavior of allomaltol-containing 2-aminothiazole derivatives.","Organic & biomolecular chemistry","2025","23","17","4172","4185","10.1039/d5ob00264h","","x-ray","1.54184","CuKα","","0.0244","0.0242","","","0.0625","0.0627","","","","","","1.053","","","","has coordinates","301111","2025-07-06","17:48:42",""
"7160482","33.1807","0.0002","10.9821","0.0001","13.8325","0.0001","90","","92.237","0.001","90","","5036.64","0.07","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Cl N3 O4 S -","- C22 H20 Cl N3 O4 S -","- C176 H160 Cl8 N24 O32 S8 -","8","1","","Migulin, Alexander V.; Milyutin, Constantine V.; Lichitsky, Boris V.; Korobkov, Stepan M.; Komogortsev, Andrey N.","Investigation of the photochemical behavior of allomaltol-containing 2-aminothiazole derivatives.","Organic & biomolecular chemistry","2025","23","17","4172","4185","10.1039/d5ob00264h","","x-ray","1.54184","CuKα","","0.0428","0.0419","","","0.1087","0.1092","","","","","","1.048","","","","has coordinates,has disorder","301111","2025-07-06","17:48:42",""
"7160483","11.1043","0.0003","13.4026","0.0004","12.0631","0.0004","90","","90.368","0.002","90","","1795.27","0.09","213","","213","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H14 Br Cl N2 O3 -","- C18 H14 Br Cl N2 O3 -","- C72 H56 Br4 Cl4 N8 O12 -","4","2","","Wang, Qi-Ming; Peng, Chang-Min; Sun, Yong-En; Yao, Chuan-Zhi; Jiang, Hua-Jie; Yu, Jie","Enantioselective construction of functionalized oxazoles <i>via</i> anionic stereogenic-at-cobalt(III) complex-catalyzed Ugi-4CR/Wittig reaction sequences.","Organic & biomolecular chemistry","2025","23","17","4074","4078","10.1039/d5ob00293a","","","1.34139","GaKα","","0.0274","0.0258","","","0.0625","0.0638","","","","","","1.065","","","","has coordinates","301115","2025-07-06","17:49:10",""
"7160484","8.8308","0.0003","12.2131","0.0004","19.0148","0.0006","90","","90","","90","","2050.77","0.12","100","0.2","100","0.2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H21 F N2 O3 S -","- C25 H21 F N2 O3 S -","- C100 H84 F4 N8 O12 S4 -","4","1","","Wang, Yutong; Huang, Xiujuan; Chen, Jinglong; Xu, Jian; Song, Qiuling","Diastereoselective radical cascade cyclization to access indole-fused diazepine derivatives.","Organic & biomolecular chemistry","2025","23","18","4349","4354","10.1039/d5ob00219b","","x-ray","1.54178","CuKα","","0.0221","0.0218","","","0.0575","0.0576","","","","","","1.068","","","","has coordinates,has disorder","301162","2025-07-06","17:58:12",""
"7160485","9.7645","0.0002","35.2767","0.0006","8.4612","0.0001","90","","108.393","0.001","90","","2765.65","0.08","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 N2 O4 P -","- C33 H29 N2 O4 P -","- C132 H116 N8 O16 P4 -","4","1","","Wang, Yutong; Huang, Xiujuan; Chen, Jinglong; Xu, Jian; Song, Qiuling","Diastereoselective radical cascade cyclization to access indole-fused diazepine derivatives.","Organic & biomolecular chemistry","2025","23","18","4349","4354","10.1039/d5ob00219b","","x-ray","1.54178","CuKα","","0.0403","0.038","","","0.0939","0.0947","","","","","","1.074","","","","has coordinates","301162","2025-07-06","17:58:13",""
"7160486","10.0551","0.0003","19.2736","0.0006","22.0454","0.0006","79.138","0.002","89.814","0.002","75.745","0.003","4062.4","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C79 H96 Br4 Cl N5 -","- C79 H96 Br4 Cl N5 -","- C158 H192 Br8 Cl2 N10 -","2","1","","Suzuki, Wataru; Tanaka, Futo; Kizuki, Yusuke; Inoue, Ryo; Agou, Tomohiro; Umeyama, Tomokazu","Steric factors controlling regioselective and efficient <i>N</i>-methylation of β-tetrabromoporphyrins.","Organic & biomolecular chemistry","2025","23","19","4686","4693","10.1039/d5ob00212e","","x-ray","0.4129","synchrotron","","0.1869","0.1428","","","0.253","0.2718","","","","","","1.173","","","","has coordinates,has disorder","301125","2025-07-06","17:51:45",""
"7160487","12.1008","0.0004","26.9189","0.0009","18.3963","0.0009","90","","92.902","0.003","90","","5984.7","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H39 Br4 F3 N4 O8 S -","- C51 H39 Br4 F3 N4 O8 S -","- C204 H156 Br16 F12 N16 O32 S4 -","4","1","","Suzuki, Wataru; Tanaka, Futo; Kizuki, Yusuke; Inoue, Ryo; Agou, Tomohiro; Umeyama, Tomokazu","Steric factors controlling regioselective and efficient <i>N</i>-methylation of β-tetrabromoporphyrins.","Organic & biomolecular chemistry","2025","23","19","4686","4693","10.1039/d5ob00212e","","x-ray","0.4129","synchrotron","","0.207","0.0956","","","0.2485","0.2951","","","","","","0.997","","","","has coordinates,has disorder","301125","2025-07-06","17:51:45",""
"7160488","8.6618","0.0018","9.7333","0.0019","12.207","0.003","96.9","0.01","104.419","0.011","106.168","0.01","937.2","0.4","278","2","278.4","","","","","","","","","3","P -1","-P 1","2","","","","- C21 N2 O4 -","- C21 N2 O4 -","- C42 N4 O8 -","2","1","","Gao, Ying; Peng, Ju-Yin; Zhang, Yu-Na; Zhao, Xiao-Liang; Zhao, Yu-Long","A copper-catalyzed tandem cyclization reaction of <i>N</i>-acyl enamines and electron-deficient alkynes: direct synthesis of alkynyl substituted pyridines.","Organic & biomolecular chemistry","2025","23","18","4441","4445","10.1039/d5ob00390c","","x-ray","1.54178","CuKα","","0.1056","0.0916","","","0.2639","0.2858","","","","","","1.026","","","","has coordinates","301166","2025-07-06","17:58:37",""
"7160489","38.22","0.009","5.6457","0.0012","16.281","0.004","90","","99.503","0.008","90","","3464.9","1.4","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 F3 O4 -","- C20 H17 F3 O4 -","- C160 H136 F24 O32 -","8","1","","Kumar, Mohit; Paul, Vincent; Gamidi, Rama Krishna; Senthilkumar, Beeran","Accessing polysubstituted 2-cyclopentenones <i>via</i> base-mediated annulation of β-keto esters and phenacyl bromides.","Organic & biomolecular chemistry","2025","23","18","4519","4524","10.1039/d4ob02088j","","","0.71073","MoKα","","0.1178","0.0982","","","0.192","0.2011","","","","","","1.242","","","","has coordinates","301160","2025-07-06","17:57:58",""
"7160490","5.5852","0.001","8.4012","0.0014","18.79","0.003","83.603","0.006","82.238","0.006","89.317","0.007","868.1","0.3","103","2","103","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 F6 O10 -","- C40 H34 F6 O10 -","- C40 H34 F6 O10 -","1","0.5","","Kumar, Mohit; Paul, Vincent; Gamidi, Rama Krishna; Senthilkumar, Beeran","Accessing polysubstituted 2-cyclopentenones <i>via</i> base-mediated annulation of β-keto esters and phenacyl bromides.","Organic & biomolecular chemistry","2025","23","18","4519","4524","10.1039/d4ob02088j","","","0.71073","MoKα","","0.0353","0.0324","","","0.082","0.0844","","","","","","1.027","","","","has coordinates","301160","2025-07-06","17:57:58",""
"7160491","6.2659","0.0009","14.989","0.002","24.786","0.003","90","","94.532","0.005","90","","2320.6","0.5","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl2 F3 O4 -","- C27 H17 Cl2 F3 O4 -","- C108 H68 Cl8 F12 O16 -","4","1","","Kumar, Mohit; Paul, Vincent; Gamidi, Rama Krishna; Senthilkumar, Beeran","Accessing polysubstituted 2-cyclopentenones <i>via</i> base-mediated annulation of β-keto esters and phenacyl bromides.","Organic & biomolecular chemistry","2025","23","18","4519","4524","10.1039/d4ob02088j","","","0.71073","MoKα","","0.0783","0.045","","","0.0915","0.1075","","","","","","1.009","","","","has coordinates","301160","2025-07-06","17:57:58",""
"7160492","7.2081","0.0014","10.733","0.002","18.339","0.004","95.812","0.007","91.348","0.006","93.311","0.006","1408.5","0.5","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 N4 O4 -","- C33 H30 N4 O4 -","- C66 H60 N8 O8 -","2","1","","Sadhukhan, Juheli; Mandal, Pabitra; Pramanik, Smritimoy; Guria, Subhajit; Kabir, Alomgir Shah; Das, Debojyoti; Adhikari, Susanta Sekhar","Recognition of GC base pairs of B-DNA by coumarin-based benzimidazopyrimidines.","Organic & biomolecular chemistry","2025","23","18","4383","4397","10.1039/d4ob02055c","","x-ray","1.54178","CuKα","","0.0566","0.0491","","","0.1362","0.1386","","","","","","1.045","","","","has coordinates,has disorder","301161","2025-07-06","17:58:05",""
"7160493","7.3081","0.0008","8.5016","0.0009","14.2301","0.0015","99.451","0.004","100.327","0.003","107.469","0.003","806.98","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Br N O3 -","- C18 H14 Br N O3 -","- C36 H28 Br2 N2 O6 -","2","1","","Liu, Xiao; Yan, Kelu; Wen, Jiangwei; Li, Qiuyun; Shang, Wenxu; Yu, Xinming; Wang, Xiu","Rhodium-catalyzed C-H activation and three-component tandem annulation leading to isoquinolones.","Organic & biomolecular chemistry","2025","23","19","4694","4701","10.1039/d5ob00419e","","","0.71073","MoKα","","0.1536","0.0465","","","0.0693","0.0919","","","","","","0.991","","","","has coordinates","301123","2025-07-06","17:50:58",""
"7160494","12.821","0.0014","8.9","0.0009","23.705","0.002","90","","98.505","0.01","90","","2675.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 O2 P -","- C35 H27 O2 P -","- C140 H108 O8 P4 -","4","1","","Zhou, Shaochan; Zou, Haotian; Huang, Xianqiang; Qi, Jialin; Xu, Zhenghu","Base-promoted regio- and diastereoselective synthesis of tri- and tetra-substituted homoallenyl phosphine oxides <i>via</i> alkynyl enones.","Organic & biomolecular chemistry","2025","23","19","4718","4724","10.1039/d5ob00446b","","","0.71073","MoKα","","0.1432","0.1036","","","0.211","0.2275","","","","","","1.117","","","","has coordinates","301122","2025-07-06","17:50:34",""
"7160495","10.006","0.012","12.706","0.016","13.425","0.016","75.18","0.04","71.99","0.03","75.35","0.04","1541","3","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H30 O2 P -","- C41 H30 O2 P -","- C82 H60 O4 P2 -","2","1","","Zhou, Shaochan; Zou, Haotian; Huang, Xianqiang; Qi, Jialin; Xu, Zhenghu","Base-promoted regio- and diastereoselective synthesis of tri- and tetra-substituted homoallenyl phosphine oxides <i>via</i> alkynyl enones.","Organic & biomolecular chemistry","2025","23","19","4718","4724","10.1039/d5ob00446b","","","0.71073","MoKα","","0.1452","0.0867","","","0.1955","0.2341","","","","","","1.036","","","","has coordinates,has disorder","301122","2025-07-06","17:50:44",""
"7160496","6.8233","0.0001","13.6419","0.0003","21.6469","0.0004","90","","90.365","0.006","90","","2014.91","0.06","93.15","","93.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 I N2 O2 -","- C23 H17 I N2 O2 -","- C92 H68 I4 N8 O8 -","4","1","","Abe, Sota; Katayama, Tetsuro; Furube, Akihiro; Tabata, Atsushi; Yoshida, Yasushi; Ueta, Shoko; Arakawa, Yukihiro; Minagawa, Keiji; Imada, Yasushi; Yagishita, Fumitoshi","Synthesis of naphthalene-fused imidazo[1,2-<i>a</i>]pyridinium salts showing green luminescence with high quantum yields and large Stokes shift.","Organic & biomolecular chemistry","2025","23","18","4355","4359","10.1039/d5ob00447k","","x-ray","1.5418","CuKα","","0.0516","0.0456","","","0.1091","0.1132","","","","","","1.064","","","","has coordinates","301167","2025-07-06","17:58:50",""
"7160497","7.6144","0.0009","9.7829","0.0011","14.133","0.0015","78.875","0.005","83.922","0.004","70.003","0.004","969.81","0.19","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Tarasova, Ekaterina S.; Shurupova, Olga V.; Rzhevskiy, Sergey A.; Minaeva, Lidiya I.; Topchiy, Maxim A.; Asachenko, Andrey F.","A simple route to 2,3-benzodiazepines from substituted indenes.","Organic & biomolecular chemistry","2025","23","19","4710","4717","10.1039/d5ob00361j","","","0.71073","MoKα","","0.0536","0.0437","","","0.1222","0.126","","","","","","1.085","","","","has coordinates","301119","2025-07-06","17:49:43",""
"7160498","8.0895","0.0001","10.4804","0.0001","14.8834","0.0002","74.053","0.001","77.761","0.001","86.001","0.001","1185.61","0.03","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O8 S -","- C27 H20 N2 O8 S -","- C54 H40 N4 O16 S2 -","2","1","","Chang, Meng-Yang; Hsueh, Nai-Chen","K<sub>2</sub>CO<sub>3</sub>/TFAA-activated diarylation of α-sulfonyl <i>o</i>-hydroxyacetophenones with <i>o</i>-nitroaryl disulfides to construct sulfonyl bis-<i>o</i>-nitroaryl acetophenones.","Organic & biomolecular chemistry","2025","23","19","4751","4757","10.1039/d5ob00380f","","x-ray","0.71073","MoKα","","0.0372","0.0318","","","0.0838","0.0871","","","","","","1.077","","","","has coordinates","301120","2025-07-06","17:50:02",""
"7160499","7.1658","0.0001","20.4831","0.0004","7.7993","0.0002","90","","92.643","0.002","90","","1143.55","0.04","130","2","130","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H8 N2 O5 -","- C12 H8 N2 O5 -","- C48 H32 N8 O20 -","4","1","","Chang, Meng-Yang; Hsueh, Nai-Chen","K<sub>2</sub>CO<sub>3</sub>/TFAA-activated diarylation of α-sulfonyl <i>o</i>-hydroxyacetophenones with <i>o</i>-nitroaryl disulfides to construct sulfonyl bis-<i>o</i>-nitroaryl acetophenones.","Organic & biomolecular chemistry","2025","23","19","4751","4757","10.1039/d5ob00380f","","x-ray","0.71073","MoKα","","0.0412","0.0388","","","0.1097","0.113","","","","","","0.906","","","","has coordinates","301120","2025-07-06","17:50:02",""
"7160500","8.367","0.0002","9.8898","0.0002","14.7637","0.0002","82.099","0.001","83.39","0.002","67.477","0.002","1115.16","0.04","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N2 O8 S2 -","- C24 H16 N2 O8 S2 -","- C48 H32 N4 O16 S4 -","2","1","","Chang, Meng-Yang; Hsueh, Nai-Chen","K<sub>2</sub>CO<sub>3</sub>/TFAA-activated diarylation of α-sulfonyl <i>o</i>-hydroxyacetophenones with <i>o</i>-nitroaryl disulfides to construct sulfonyl bis-<i>o</i>-nitroaryl acetophenones.","Organic & biomolecular chemistry","2025","23","19","4751","4757","10.1039/d5ob00380f","","x-ray","0.71073","MoKα","","0.0387","0.0348","","","0.091","0.0937","","","","","","1.085","","","","has coordinates,has disorder","301120","2025-07-06","17:50:02",""
"7160501","9.51","0.0002","10.9393","0.0003","14.4361","0.0002","80.891","0.002","88.429","0.002","81.563","0.002","1466.83","0.06","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H6 Cl0.67 N0.67 O2.67 S0.33 -","- C9 H6 Cl0.666667 N0.666667 O2.66667 S0.333333 -","- C54 H36 Cl4 N4 O16 S2 -","6","3","","Chang, Meng-Yang; Hsueh, Nai-Chen","K<sub>2</sub>CO<sub>3</sub>/TFAA-activated diarylation of α-sulfonyl <i>o</i>-hydroxyacetophenones with <i>o</i>-nitroaryl disulfides to construct sulfonyl bis-<i>o</i>-nitroaryl acetophenones.","Organic & biomolecular chemistry","2025","23","19","4751","4757","10.1039/d5ob00380f","","x-ray","0.71073","MoKα","","0.0443","0.0402","","","0.1051","0.1076","","","","","","1.055","","","","has coordinates,has disorder","301120","2025-07-06","17:50:02",""
"7160502","8.3007","0.0001","9.9272","0.0001","16.426","0.0002","104.029","0.001","91.002","0.001","107.675","0.001","1245.1","0.03","135","2","135","2","","","","","","","","6","P -1","-P 1","2","","","","- C10.8 H6.8 F1.2 N0.8 O3.2 S0.4 -","- C10.8 H6.8 F1.2 N0.8 O3.2 S0.4 -","- C54 H34 F6 N4 O16 S2 -","5","2.5","","Chang, Meng-Yang; Hsueh, Nai-Chen","K<sub>2</sub>CO<sub>3</sub>/TFAA-activated diarylation of α-sulfonyl <i>o</i>-hydroxyacetophenones with <i>o</i>-nitroaryl disulfides to construct sulfonyl bis-<i>o</i>-nitroaryl acetophenones.","Organic & biomolecular chemistry","2025","23","19","4751","4757","10.1039/d5ob00380f","","x-ray","0.71073","MoKα","","0.0564","0.0493","","","0.1263","0.1309","","","","","","1.055","","","","has coordinates","301120","2025-07-06","17:50:02",""
"7160503","8.6503","0.0004","9.5028","0.0004","13.7219","0.0005","73.673","0.003","77.253","0.003","66.575","0.004","985.64","0.08","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C10.5 H8 N O4 S0.5 -","- C10.5 H8 N O4 S0.5 -","- C42 H32 N4 O16 S2 -","4","2","","Chang, Meng-Yang; Hsueh, Nai-Chen","K<sub>2</sub>CO<sub>3</sub>/TFAA-activated diarylation of α-sulfonyl <i>o</i>-hydroxyacetophenones with <i>o</i>-nitroaryl disulfides to construct sulfonyl bis-<i>o</i>-nitroaryl acetophenones.","Organic & biomolecular chemistry","2025","23","19","4751","4757","10.1039/d5ob00380f","","x-ray","0.71073","MoKα","","0.0499","0.0427","","","0.1112","0.1149","","","","","","1.065","","","","has coordinates","301120","2025-07-06","17:50:02",""
"7160504","9.0595","0.0003","9.2127","0.0003","15.4455","0.0005","90","","102.057","0.002","90","","1260.68","0.07","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H25 N O7 -","- C30 H25 N O7 -","- C60 H50 N2 O14 -","2","1","","Wang, Xiaomei; Zeng, Weixing; Li, Shi-Wu; Pian, Jixin; Zhao, Zhifei","Enantioselective access to 3,3'-disubstituted oxindole derivatives by N-heterocyclic carbene catalysis.","Organic & biomolecular chemistry","2025","23","23","5527","5532","10.1039/d5ob00374a","","","1.54178","CuKα","","0.0387","0.0344","","","0.0785","0.0811","","","","","","1.044","","","","has coordinates","301177","2025-07-06","18:00:28",""
"7160505","9.5296","0.0002","9.5745","0.0002","45.0172","0.0007","90","","90","","90","","4107.42","0.14","160","0.1","160","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C160 H216 N8 O48 -","8","2","","Salim, Maruan D.; Ferrara, Isabella; Blacque, Olivier; Gademann, Karl","Synthesis of 2-acetylnoviosamine derivatives by hydrogenolytic cleavage of a spirocyclopropane.","Organic & biomolecular chemistry","2025","23","20","4873","4878","10.1039/d5ob00469a","","x-ray","1.54184","CuKα","","0.0445","0.0383","","","0.0968","0.1022","","","","","","1.03","","","","has coordinates,has disorder","301149","2025-07-06","17:55:23",""
"7160506","14.7354","0.0002","15.1012","0.0002","29.1138","0.0003","90","","90","","90","","6478.47","0.14","160","0.1","160","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O6 -","- C21 H29 N O6 -","- C252 H348 N12 O72 -","12","3","","Salim, Maruan D.; Ferrara, Isabella; Blacque, Olivier; Gademann, Karl","Synthesis of 2-acetylnoviosamine derivatives by hydrogenolytic cleavage of a spirocyclopropane.","Organic & biomolecular chemistry","2025","23","20","4873","4878","10.1039/d5ob00469a","","x-ray","1.54184","CuKα","","0.0522","0.048","","","0.1262","0.1319","","","","","","1.04","","","","has coordinates,has disorder","301149","2025-07-06","17:55:23",""
"7160507","9.36186","0.00016","16.38187","0.0002","15.377","0.0003","90","","102.909","0.0017","90","","2298.69","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 N O3 -","- C28 H27 N O3 -","- C112 H108 N4 O12 -","4","1","","Zhang, Jin-Jin; Wang, Jing-Hong; Sang, Ya-Hui; Qin, Hai-Juan; Chen, Chao; Liu, Wei","Electrochemical regioselective reduction of α-keto amides with methanol as a hydrogen source.","Organic & biomolecular chemistry","2025","23","20","4922","4926","10.1039/d5ob00384a","","x-ray","1.54184","CuKα","","0.0445","0.0426","","","0.1046","0.1059","","","","","","1.049","","","","has coordinates","301147","2025-07-06","17:55:04",""
"7160508","16.05","0.003","8.83","0.0018","16.355","0.003","90","","116.59","0.03","90","","2072.7","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H54 N4 O10 -","- C44 H54 N4 O10 -","- C88 H108 N8 O20 -","2","1","","Kuyama, Kazusa; Takeda, Fumi; Ikeda, Ayano; Tanaka, Kimiko; Katagiri, Kosuke; Kawahata, Masatoshi; Okada, Yusuke; Kobayashi, Nagao; Kagechika, Hiroyuki; Tanatani, Aya","An aromatic layered foldamer based on a (<i>cis</i>, <i>cis</i>)-squaramide: chiral induction and absolute structure.","Organic & biomolecular chemistry","2025","23","20","4927","4933","10.1039/d5ob00324e","","","0.8","synchrotron","","0.1132","0.0585","","","0.1409","0.1811","","","","","","1.015","","","","has coordinates","301145","2025-07-06","17:54:51",""
"7160509","11.9","0.0002","7.3015","0.0001","24.8756","0.0004","90","","90","","90","","2161.39","0.06","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 -","- C14 H10 N2 -","- C112 H80 N16 -","8","1","","Sbei, Najoua; Rahali, Seyfeddine; Ahmed, Nisar","C-H bond cyanation: electrochemical synthesis of phenylbenzimidoyl cyanide derivatives.","Organic & biomolecular chemistry","2025","23","20","4917","4921","10.1039/d5ob00522a","","x-ray","0.71073","MoKα","","0.0511","0.0442","","","0.1185","0.1242","","","","","","1.078","","","","has coordinates","301150","2025-07-06","17:55:38",""
"7160510","22.05","0.002","8.2245","0.0013","21.735","0.003","90","","100.182","0.011","90","","3879.6","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-(1-imino-2-methyl-3-oxo-9-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)-2,2-dimethylpropanenitrile","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C184 H168 N24 O8 -","8","1","","Zhang, Han; Lin, Yuze; Yang, Gang; Yang, Xifa; Cui, Xiuling","Efficient synthesis of pyrrolo[1,2-<i>a</i>]indol-3-ones through a radical-initiated cascade cyclization reaction.","Organic & biomolecular chemistry","2025","23","20","4966","4970","10.1039/d5ob00474h","","x-ray","0.71073","MoKα","","0.1348","0.0955","","","0.2265","0.2472","","","","","","1.092","","","","has coordinates,has disorder","301142","2025-07-06","17:54:32",""
"7160511","5.6083","0.0015","12.004","0.004","14.983","0.005","78.692","0.011","84.933","0.01","79.177","0.01","970.1","0.5","213","2","213","","","","","","","","","4","P -1","-P 1","2","","dimethyl (Z)-2-(1-benzamido-2-oxo-2-phenylethylidene)succinate","","- C21 H19 N O6 -","- C21 H19 N O6 -","- C42 H38 N2 O12 -","2","1","","Zhang, Xiaoyu; Lu, Xiangyu; Zou, Yajun; Lang, JiaJia; Wang, Yingwei; Zhao, Gang","Hydrogen-bonding-controlled stereospecific synthesis of <i>Z</i>-enamides.","Organic & biomolecular chemistry","2025","23","20","4884","4887","10.1039/d5ob00333d","","","0.71073","MoKα","","0.1213","0.0637","","","0.1497","0.1903","","","","","","1.013","","","","has coordinates,has disorder","301144","2025-07-06","17:54:44",""
"7160512","9.242","0.003","10.902","0.004","11.076","0.004","98.407","0.009","109.822","0.008","107.406","0.009","962.9","0.6","303","2","303","","","","","","","","","5","P -1","-P 1","2","","dimethyl (E)-2-(1-(2-fluorobenzamido)-2-oxo-2-phenylethylidene)succinate","","- C21 H18 F N O6 -","- C21 H18 F N O6 -","- C42 H36 F2 N2 O12 -","2","1","","Zhang, Xiaoyu; Lu, Xiangyu; Zou, Yajun; Lang, JiaJia; Wang, Yingwei; Zhao, Gang","Hydrogen-bonding-controlled stereospecific synthesis of <i>Z</i>-enamides.","Organic & biomolecular chemistry","2025","23","20","4884","4887","10.1039/d5ob00333d","","","0.71073","MoKα","","0.1299","0.0699","","","0.1831","0.2267","","","","","","1.028","","","","has coordinates","301144","2025-07-06","17:54:45",""
"7160513","31.5114","0.0003","31.5114","0.0003","9.2754","0.0002","90","","90","","90","","9210.2","0.2","293","","293","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C24 H29 N O2 -","- C24 H29 N O2 -","- C384 H464 N16 O32 -","16","1","","Wang, Jianjun; Yang, E.; Liu, Wei; Zhang, Shiwei; Shi, Yian","Pd-catalyzed efficient synthesis of 3-formylindole derivatives with diaziridinone.","Organic & biomolecular chemistry","2025","23","20","5006","5015","10.1039/d5ob00246j","","","1.54178","CuKα","","0.1206","0.0743","","","0.187","0.2147","","","","","","1.167","","","","has coordinates","301148","2025-07-06","17:55:13",""
"7160514","9.734","","10.474","0.004","11.936","0.004","78.427","0.005","66.163","0.009","81.294","0.009","1087.1","0.6","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 N2 O2 -","- C25 H28 N2 O2 -","- C50 H56 N4 O4 -","2","1","","Wang, Jianjun; Yang, E.; Liu, Wei; Zhang, Shiwei; Shi, Yian","Pd-catalyzed efficient synthesis of 3-formylindole derivatives with diaziridinone.","Organic & biomolecular chemistry","2025","23","20","5006","5015","10.1039/d5ob00246j","","","0.71073","MoKα","","0.2168","0.1043","","","0.2641","0.3097","","","","","","1.044","","","","has coordinates","301148","2025-07-06","17:55:13",""
"7160515","9.8373","0.0007","12.5432","0.0011","18.3743","0.0013","90","","90","","90","","2267.2","0.3","296","2","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O6 -","- C23 H27 N O6 -","- C92 H108 N4 O24 -","4","1","","Ashok, Etikala; Lakshmi, Pandhiti R.; Sravanthi, Revoju; Ramachary, Dhevalapally B.","Constructing chiral bicyclo[3.2.1]octanes <i>via</i> low-loading organocatalysis.","Organic & biomolecular chemistry","2025","23","23","5616","5628","10.1039/d5ob00203f","","","0.71073","MoKα","","0.0861","0.078","","","0.1758","0.1819","","","","","","1.191","","","","has coordinates","301174","2025-07-06","17:59:52",""
"7160516","10.5076","0.0006","12.7385","0.0007","15.5696","0.001","90","","90","","90","","2084","0.2","298.23","","298.23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O6 -","- C22 H25 N O6 -","- C88 H100 N4 O24 -","4","1","","Ashok, Etikala; Lakshmi, Pandhiti R.; Sravanthi, Revoju; Ramachary, Dhevalapally B.","Constructing chiral bicyclo[3.2.1]octanes <i>via</i> low-loading organocatalysis.","Organic & biomolecular chemistry","2025","23","23","5616","5628","10.1039/d5ob00203f","","x-ray","0.71073","MoKα","","0.1039","0.0653","","","0.1628","0.1878","","","","","","0.937","","","","has coordinates","301174","2025-07-06","17:59:54",""
"7160517","7.0203","0.0007","10.9547","0.001","28.092","0.003","90","","90","","90","","2160.4","0.4","234","","234","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O6 -","- C21 H22 Br N O6 -","- C84 H88 Br4 N4 O24 -","4","1","","Ashok, Etikala; Lakshmi, Pandhiti R.; Sravanthi, Revoju; Ramachary, Dhevalapally B.","Constructing chiral bicyclo[3.2.1]octanes <i>via</i> low-loading organocatalysis.","Organic & biomolecular chemistry","2025","23","23","5616","5628","10.1039/d5ob00203f","","x-ray","0.71073","MoKα","","0.1066","0.0605","","","0.098","0.1085","","","","","","1.031","","","","has coordinates","301174","2025-07-06","17:59:54",""
"7160518","7.3216","0.001","17.174","0.002","12.5583","0.0016","90","","100.459","0.004","90","","1552.9","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C72 H56 Cl4 N4 O12 -","4","1","","Reddy, Manyam Subbi; Kamala, Kandivalasa; Suresh, Surisetti","A formal [4 + 1] annulation incorporating styrylogous aldol condensation to access functionalized 2-styryl-benzofurans.","Organic & biomolecular chemistry","2025","23","21","5096","5100","10.1039/d5ob00348b","","","0.71073","MoKα","","0.0869","0.0513","","","0.1249","0.155","","","","","","1.061","","","","has coordinates","301179","2025-07-06","18:00:46",""
"7160519","7.6699","0.0001","17.982","0.0002","12.1583","0.0001","90","","93.293","0.001","90","","1674.11","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","phenyl(4-phenylbenzo[4,5]imidazo[1,2-a]pyrimidin-2-yl)methanonee","","- C23 H15 N3 O -","- C23 H15 N3 O -","- C92 H60 N12 O4 -","4","1","","Guo, Qian; Guo, Mengyi; Cheng, Luoteng; Song, Yifan; Ma, Wanqian; Song, Yibo; Li, Suzhen; Deng, Xiaoqiong; Jia, Xinxin; Yuan, Jianyong","I<sub>2</sub>-DMSO-mediated [4 + 2] cyclization of methyl ketone with 2-aminobenzimidazole to construct 2,4-disubstituted benzo[4,5]imidazo[1,2-<i>a</i>] pyrimidines.","Organic & biomolecular chemistry","2025","23","21","5154","5158","10.1039/d5ob00314h","","x-ray","1.54184","CuKα","","0.0356","0.0336","","","0.0818","0.0832","","","","","","1.043","","","","has coordinates","301184","2025-07-06","18:01:30",""
"7160520","8.8404","0.0002","11.5522","0.0003","15.9026","0.0004","90","","98.593","0.001","90","","1605.84","0.07","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 F4 N O2 -","- C18 H13 F4 N O2 -","- C72 H52 F16 N4 O8 -","4","1","","Cao, Yating; Wei, Yushan; Hu, Yingxin; Liu, Daosheng; Liu, Mengyao; Wang, Jingjing; Li, Chong; Wang, Pinpin; Hu, Liyan; Li, Feng","Silver-catalyzed generation of acyl radicals from α-imino-oxy acids: access to acylated 3-CF<sub>3</sub>-2-oxindoles.","Organic & biomolecular chemistry","2025","23","21","5106","5110","10.1039/d5ob00262a","","","0.71073","MoKα","","0.0697","0.0576","","","0.1432","0.1638","","","","","","1.044","","","","has coordinates","301185","2025-07-06","18:01:35",""
"7160521","7.74314","0.00005","7.47998","0.00005","31.73273","0.00018","90","","94.3152","0.0005","90","","1832.7","0.02","99.97","0.1","99.97","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 O3 S -","- C26 H16 O3 S -","- C104 H64 O12 S4 -","4","1","","Zakharov, A. V.; Evsikova, E. E.; Grebennikova, P. D.; Krylova, M. A.; Fakhrutdinov, A. N.; Shirinian, V. Z.","Metal-free, visible-light-mediated phototransformations of <i>ortho</i>-biaryl appended chalcones: access to oxathia[5]helicenes and 1,2,3,4-tetrasubstituted cyclobutanes.","Organic & biomolecular chemistry","2025","23","21","5182","5190","10.1039/d5ob00490j","","x-ray","1.54184","CuKα","","0.0347","0.0338","","","0.0896","0.0905","","","","","","1.026","","","","has coordinates","301181","2025-07-06","18:01:01",""
"7160522","4.4365","0.0001","11.7816","0.0002","40.0556","0.0006","90","","90","","90","","2093.67","0.07","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H19 Cl O3 -","- C28 H19 Cl O3 -","- C112 H76 Cl4 O12 -","4","1","","Zakharov, A. V.; Evsikova, E. E.; Grebennikova, P. D.; Krylova, M. A.; Fakhrutdinov, A. N.; Shirinian, V. Z.","Metal-free, visible-light-mediated phototransformations of <i>ortho</i>-biaryl appended chalcones: access to oxathia[5]helicenes and 1,2,3,4-tetrasubstituted cyclobutanes.","Organic & biomolecular chemistry","2025","23","21","5182","5190","10.1039/d5ob00490j","","x-ray","1.54184","CuKα","","0.054","0.0502","","","0.1384","0.145","","","","","","1.086","","","","has coordinates","301181","2025-07-06","18:01:04",""
"7160523","12.74413","0.00006","8.52595","0.00005","38.0051","0.0002","90","","90.3633","0.0005","90","","4129.39","0.04","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C42 H49 Br2 N5 O10 -","- C42 H49 Br2 N5 O10 -","- C168 H196 Br8 N20 O40 -","4","0.5","","Bakuleva, Nadezhda A.; Lichitskii, Boris V.; Komogortsev, Andrey N.; Tretyakov, Evgeny V.","Construction of a 1,2-diazetidine core based on a multicomponent reaction of <i>N</i>,<i>N</i>'-(2,3-dimethylbutane-2,3-diyl)bis(hydroxylamine), arylglyoxals, and Meldrum's acid.","Organic & biomolecular chemistry","2025","23","20","4997","5005","10.1039/d5ob00545k","","x-ray","1.54184","CuKα","","0.0256","0.0248","","","0.0632","0.0638","","","","","","1.054","","","","has coordinates,has disorder","301146","2025-07-06","17:54:58",""
"7160524","11.5056","0.0007","13.8298","0.0008","18.2204","0.0011","90","","98.022","0.002","90","","2870.9","0.3","170","","170","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C33.5 H27.5 Cl1.5 F N2 O3 -","- C33.5 H27.5 Cl1.5 F N2 O3 -","- C134 H110 Cl6 F4 N8 O12 -","4","1","","Min, Yang; Shen, Hanxiao; Huang, Shaoying; Gu, Haorui; Lin, Xufeng","Organocatalytic asymmetric synthesis of axially and centrally chiral heterotriarylmethanes by a Friedel-Crafts reaction.","Organic & biomolecular chemistry","2025","23","22","5359","5372","10.1039/d5ob00532a","","x-ray","1.34139","GaKα","","0.0494","0.047","","","0.1264","0.1294","","","","","","1.029","","","","has coordinates,has disorder","301097","2025-07-06","17:46:42",""
"7160525","24.355","0.017","8.37","0.006","15.766","0.012","90","","100.14","0.02","90","","3164","4","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 F N3 O3 -","- C18 H16 F N3 O3 -","- C144 H128 F8 N24 O24 -","8","1","","Qin, Hui; Wei, Guo-Liang; Xie, Wen-Geng; Mao, Xiao-Hong; Wang, Fu-Wei; Bao, Mei-Hua; Zheng, Xiao-Wei; Zhang, Yi-Wen; Huang, Ping","Direct C-H fluorination/heteroarylation of oxindoles with quinoxalin-2(1<i>H</i>)-ones using Selectfluor.","Organic & biomolecular chemistry","2025","23","22","5390","5395","10.1039/d5ob00427f","","x-ray","1.34139","GaKα","","0.1329","0.0885","","","0.2547","0.2953","","","","","","1.038","","","","has coordinates","301090","2025-07-06","17:45:23",""
"7160526","12.6782","0.0008","24.5075","0.0017","12.7134","0.0006","90","","90","","90","","3950.2","0.4","150","","150","","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C26 H22 N2 O -","- C26 H22 N2 O -","- C208 H176 N16 O8 -","8","1","","Wei, Minghui; Wang, Xujia; Zhang, Jintao; Chen, Jiankun; Liu, Chengkou; Yang, Zhao; Li, Yuguang; Qin, Hong; Fang, Zheng; Guo, Kai","Synthesis of pyridino[2,1-<i>b</i>]quinazolinones <i>via</i> a visible light-induced functionalization of alkynes/nitrile insertion/cyclization tandem sequences in continuous-flow technology.","Organic & biomolecular chemistry","2025","23","21","5203","5207","10.1039/d5ob00368g","","","0.71073","MoKα","","0.0563","0.0429","","","0.0911","0.0987","","","","","","1.092","","","","has coordinates","301183","2025-07-06","18:01:23",""
"7160527","9.531","0.01","11.853","0.014","12.147","0.014","70.51","0.03","74.23","0.03","85.57","0.04","1245","2","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N2 O4 -","- C30 H32 N2 O4 -","- C60 H64 N4 O8 -","2","1","","Bubnova, Alexandra S.; Philippova, Anna N.; Gribanov, Pavel S.; Smol'yakov, Alexander F.; Osipov, Sergey N.; Vorobyeva, Daria V.","Pd(II)-catalyzed regioselective hydroarylation of allenyl-containing α-amino acid derivatives with aryl boronic acids.","Organic & biomolecular chemistry","2025","23","22","5396","5400","10.1039/d5ob00622h","","","0.71073","MoKα","","0.2045","0.0976","","","0.2165","0.2875","","","","","","0.857","","","","has coordinates","301094","2025-07-06","17:45:57",""
"7160528","14.5685","0.001","7.0647","0.0004","16.3807","0.0011","90","","116.123","0.002","90","","1513.72","0.17","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C76 H68 N12 O8 -","4","1","","Figueira de Abreu, Ruben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of 6-arylpyrimido[4,5-<i>e</i>]indolizine-2,4(1<i>H</i>,3<i>H</i>)-diones through InCl<sub>3</sub>-catalyzed cycloisomerization.","Organic & biomolecular chemistry","2025","23","21","5215","5223","10.1039/d5ob00436e","","","0.71073","MoKα","","0.0501","0.0425","","","0.1165","0.1265","","","","","","1.042","","","","has coordinates","301182","2025-07-06","18:01:15",""
"7160529","6.0058","0.0009","14.041","0.002","19.541","0.003","90","","90","","90","","1647.8","0.4","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 F O3 -","- C10 H7 F O3 -","- C80 H56 F8 O24 -","8","2","","Zhanabaeva, Madina; Kovalevsky, Ruslan A.; Kucherenko, Alexander S.; Korlyukov, Alexander A.; Zlotin, Sergei G.","Tandem process of asymmetric organocatalysis and selective post-functionalization: enantiodivergent synthesis of bioactive indane-1-carboxylic acid derivatives.","Organic & biomolecular chemistry","2025","23","23","5611","5615","10.1039/d5ob00551e","","","0.71073","MoKα","","0.1013","0.0543","","","0.0999","0.1124","","","","","","0.976","","","","has coordinates","301172","2025-07-06","17:59:27",""
"7160530","8.4767","0.0001","34.4041","0.0002","9.5432","0.0001","90","","99.537","0.001","90","","2744.65","0.05","159.99","0.1","159.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H60 Cl2 N6 O4 -","- C64 H60 Cl2 N6 O4 -","- C128 H120 Cl4 N12 O8 -","2","1","","Liu, Shenggui; Ye, Hang; He, Hualing","Catalytic asymmetric C-7 Friedel-Crafts reaction of 4-aminoindoles: construction of <i>N</i>-substituted quaternary carbon atoms.","Organic & biomolecular chemistry","2025","23","22","5339","5342","10.1039/d5ob00558b","","","1.54184","CuKα","","0.0415","0.0398","","","0.1099","0.1127","","","","","","1.042","","","","has coordinates","301096","2025-07-06","17:46:21",""
"7160531","6.3191","0.0006","21.29","0.002","21.29","0.002","90","","90","","90","","2864.2","0.5","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","yy-1","","- C32 H26 Br N O5 S -","- C32 H26 Br N O5 S -","- C128 H104 Br4 N4 O20 S4 -","4","1","","Yu, Yu; Chen, Min","Chiral Brønsted acid-catalyzed intermolecular hydrophenoxylation of ynamides with biaryl phenols <i>via</i> sequential desymmetrization/kinetic resolution.","Organic & biomolecular chemistry","2025","23","22","5318","5322","10.1039/d5ob00503e","","","1.34139","GaKα","","0.0368","0.0317","","","0.0709","0.0734","","","","","","1.087","","","","has coordinates","301093","2025-07-06","17:45:51",""
"7160532","15.757","0.0002","10.1218","0.0001","18.1651","0.0002","90","","90","","90","","2897.14","0.06","149.99","0.1","149.99","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C128 H176 O24 -","8","1","","Guo, Chen; Zhu, Mao-Mei; Ze Lang, Si-Ji; Wang, Ya-Wen; Xiao, Jian; Peng, Yu","Divergent synthetic studies towards bisabosqual A and fargenone B <i>via</i> an intramolecular S<sub>N</sub>2 reaction.","Organic & biomolecular chemistry","2025","23","22","5298","5300","10.1039/d5ob00655d","","x-ray","1.54184","CuKα","","0.0461","0.0439","","","0.1128","0.1143","","","","","","1.063","","","","has coordinates","301098","2025-07-06","17:46:51",""
"7160533","21.8523","0.0012","5.1108","0.0004","25.9585","0.0019","90","","90","","90","","2899.1","0.3","293","2","293.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H19 Br O3 -","- C15 H19 Br O3 -","- C120 H152 Br8 O24 -","8","2","","Guo, Chen; Zhu, Mao-Mei; Ze Lang, Si-Ji; Wang, Ya-Wen; Xiao, Jian; Peng, Yu","Divergent synthetic studies towards bisabosqual A and fargenone B <i>via</i> an intramolecular S<sub>N</sub>2 reaction.","Organic & biomolecular chemistry","2025","23","22","5298","5300","10.1039/d5ob00655d","","x-ray","0.71073","MoKα","","0.083","0.0521","","","0.0806","0.0909","","","","","","1.099","","","","has coordinates","301098","2025-07-06","17:46:51",""
"7160534","9.81899","0.00016","9.17658","0.00016","15.266","0.0003","90","","101.939","0.0017","90","","1345.78","0.04","149.97","0.1","149.97","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Br O3 -","- C15 H17 Br O3 -","- C60 H68 Br4 O12 -","4","1","","Guo, Chen; Zhu, Mao-Mei; Ze Lang, Si-Ji; Wang, Ya-Wen; Xiao, Jian; Peng, Yu","Divergent synthetic studies towards bisabosqual A and fargenone B <i>via</i> an intramolecular S<sub>N</sub>2 reaction.","Organic & biomolecular chemistry","2025","23","22","5298","5300","10.1039/d5ob00655d","","x-ray","1.54184","CuKα","","0.0491","0.0469","","","0.1174","0.1189","","","","","","1.072","","","","has coordinates","301098","2025-07-06","17:46:51",""
"7160535","10.046","0.004","6.758","0.003","25.803","0.011","90","","95.914","0.015","90","","1742.5","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C92 H72 N8 O4 -","4","1","","Jin, Cheng-An; Liu, Hao; Xie, Bo-Wen; Liang, Ren-Xiao; Jia, Yi-Xia","Visible-light-induced dearomative 1,4-carbamoylpyridinylation of nonactivated naphthalenes.","Organic & biomolecular chemistry","2025","23","23","5576","5581","10.1039/d5ob00550g","","","0.71073","MoKα","","0.154","0.0775","","","0.1825","0.2338","","","","","","1.009","","","","has coordinates","301175","2025-07-06","18:00:00",""
"7160536","11.1866","0.0001","11.4178","0.0001","63.8254","0.0007","90","","90.635","0.001","90","","8151.69","0.14","100.01","0.13","100.01","0.13","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H22 Br2 O3 -","- C22 H22 Br2 O3 -","- C352 H352 Br32 O48 -","16","4","","Hsieh, Min-Tsang; Lin, Hui-Chang","Synthetic studies towards xanthomonadin.","Organic & biomolecular chemistry","2025","23","21","5234","5239","10.1039/d5ob00518c","","x-ray","1.54184","CuKα","","0.094","0.0926","","","0.2425","0.2435","","","","","","1.079","","","","has coordinates","301180","2025-07-06","18:00:55",""
"7160537","6.4686","0.0003","9.6305","0.0005","14.1364","0.0006","83.716","0.004","83.816","0.004","87.352","0.004","869.73","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 Br2 O3 -","- C18 H18 Br2 O3 -","- C36 H36 Br4 O6 -","2","1","","Hsieh, Min-Tsang; Lin, Hui-Chang","Synthetic studies towards xanthomonadin.","Organic & biomolecular chemistry","2025","23","21","5234","5239","10.1039/d5ob00518c","","x-ray","1.54184","CuKα","","0.0697","0.0654","","","0.1765","0.1824","","","","","","1.044","","","","has coordinates","301180","2025-07-06","18:00:55",""
"7160538","9.5972","0.0005","11.46","0.0005","12.1476","0.0006","64.713","0.001","76.619","0.002","82.311","0.002","1174.3","0.1","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N2 O3 S -","- C28 H24 N2 O3 S -","- C56 H48 N4 O6 S2 -","2","1","","Ghosh, Sourav; Rana, Gopal; Kar, Abhishek; Sahoo, Rajkamal; Jana, Umasish","Visible-light-triggered organophotoredox-catalyzed oxidation of 3-(benzylidine)indoline to indole-3-carbinols and 3-acyl indoles.","Organic & biomolecular chemistry","2025","23","23","5643","5656","10.1039/d5ob00401b","","","0.71073","MoKα","","0.1128","0.0835","","","0.1413","0.1524","","","","","","1.183","","","","has coordinates","301171","2025-07-06","17:59:21",""
"7160539","8.75449","0.00018","16.6482","0.0004","19.5357","0.0004","90","","90","","90","","2847.26","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 N3 O6 -","- C32 H33 N3 O6 -","- C128 H132 N12 O24 -","4","1","","Yue, Xiao-Jing; Pei, Li-Ping; Wang, Min-Can; Jia, Shi-Kun; Mei, Guang-Jian","Synthesis of 3-indolyl all-carbon quaternary centers <i>via</i> Rh/Brønsted acid co-catalyzed three-component reactions of azoalkenes with indoles and diazoacetates.","Organic & biomolecular chemistry","2025","23","22","5323","5327","10.1039/d5ob00567a","","x-ray","1.54184","CuKα","","0.0696","0.0601","","","0.1603","0.1723","","","","","","1.041","","","","has coordinates","301091","2025-07-06","17:45:30",""
"7160540","12.7618","0.0005","13.0621","0.0006","13.4282","0.0007","113.796","0.005","90.707","0.004","110.206","0.004","1891.85","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H37 Cl6 N3 O6 -","- C31 H37 Cl6 N3 O6 -","- C62 H74 Cl12 N6 O12 -","2","1","","Yue, Xiao-Jing; Pei, Li-Ping; Wang, Min-Can; Jia, Shi-Kun; Mei, Guang-Jian","Synthesis of 3-indolyl all-carbon quaternary centers <i>via</i> Rh/Brønsted acid co-catalyzed three-component reactions of azoalkenes with indoles and diazoacetates.","Organic & biomolecular chemistry","2025","23","22","5323","5327","10.1039/d5ob00567a","","x-ray","1.54184","CuKα","","0.0884","0.0728","","","0.2098","0.2288","","","","","","1.076","","","","has coordinates,has disorder","301091","2025-07-06","17:45:30",""
"7160541","15.522","0.001","5.6987","0.0004","26.8","0.003","90","","94.618","0.01","90","","2362.9","0.3","295","2","295","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C8 H10 Cl O3 P -","- C8 H10 Cl O3 P -","- C64 H80 Cl8 O24 P8 -","8","2","","Zimarev, Vladislav S.; Firsin, Ilya D.; Larin, Alexander V.; Tafeenko, Victor A.; Bondarenko, Grigoriy N.; Chuchelkin, Ilya V.; Gavrilov, Vladislav K.; Gavrilov, Konstantin N.; Goulioukina, Nataliya S.; Beletskaya, Irina P.","Rhodium-catalyzed enantioselective hydrogenation of (1-arylvinyl)phosphonates with TADDOL-based phosphoramidite P,S ligands.","Organic & biomolecular chemistry","2025","23","23","5600","5610","10.1039/d5ob00602c","","","0.71073","MoKα","","0.228","0.0442","","","0.0736","0.0988","","","","","","0.866","","","","has coordinates","301170","2025-07-06","17:59:15",""
"7160542","8.9119","0.0008","11.3949","0.0007","18.615","0.0011","90","","90","","90","","1890.4","0.2","295","2","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 O3 P -","- C18 H29 O3 P -","- C72 H116 O12 P4 -","4","1","","Zimarev, Vladislav S.; Firsin, Ilya D.; Larin, Alexander V.; Tafeenko, Victor A.; Bondarenko, Grigoriy N.; Chuchelkin, Ilya V.; Gavrilov, Vladislav K.; Gavrilov, Konstantin N.; Goulioukina, Nataliya S.; Beletskaya, Irina P.","Rhodium-catalyzed enantioselective hydrogenation of (1-arylvinyl)phosphonates with TADDOL-based phosphoramidite P,S ligands.","Organic & biomolecular chemistry","2025","23","23","5600","5610","10.1039/d5ob00602c","","","0.71073","MoKα","","0.1853","0.0426","","","0.0619","0.0779","","","","","","0.652","","","","has coordinates","301170","2025-07-06","17:59:16",""
"7160543","16.8778","0.0008","16.9391","0.0008","20.303","0.0007","90","","90","","90","","5804.5","0.4","295","2","295","","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C51 H55 B Cl9 F4 N O4 P Rh S -","- C51 H55 B Cl9 F4 N O4 P Rh S -","- C204 H220 B4 Cl36 F16 N4 O16 P4 Rh4 S4 -","4","1","","Zimarev, Vladislav S.; Firsin, Ilya D.; Larin, Alexander V.; Tafeenko, Victor A.; Bondarenko, Grigoriy N.; Chuchelkin, Ilya V.; Gavrilov, Vladislav K.; Gavrilov, Konstantin N.; Goulioukina, Nataliya S.; Beletskaya, Irina P.","Rhodium-catalyzed enantioselective hydrogenation of (1-arylvinyl)phosphonates with TADDOL-based phosphoramidite P,S ligands.","Organic & biomolecular chemistry","2025","23","23","5600","5610","10.1039/d5ob00602c","","","0.71073","MoKα","","0.2525","0.0591","","","0.1048","0.145","","","","","","0.77","","","","has coordinates,has disorder","301170","2025-07-06","17:59:16",""
"7160544","10.662","0.0005","10.8755","0.0005","19.5715","0.001","81.0768","0.001","84.1741","0.001","64.0858","0.0009","2015.06","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H37 Cl2 N5 O3 -","- C35 H37 Cl2 N5 O3 -","- C70 H74 Cl4 N10 O6 -","2","1","","Zarei, Issa; Khosravi, Hormoz; Rominger, Frank; Rezaei Somee, Leila; Balalaie, Saeed","Indium-catalyzed formal [4 + 1 + 1]/[4 + 1] isocyanide-based annulation for construction of polyfunctionalized pyrano- and furoquinolines.","Organic & biomolecular chemistry","2025","23","22","5423","5427","10.1039/d5ob00512d","","","0.71073","MoKα","","0.0793","0.0526","","","0.1369","0.1526","","","","","","1.043","","","","has coordinates","301095","2025-07-06","17:46:15",""
"7160545","12.7784","0.0007","25.7222","0.0013","12.9347","0.0007","90","","116.473","0.0016","90","","3805.7","0.4","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H47 N5 O3 -","- C39 H47 N5 O3 -","- C156 H188 N20 O12 -","4","1","","Zarei, Issa; Khosravi, Hormoz; Rominger, Frank; Rezaei Somee, Leila; Balalaie, Saeed","Indium-catalyzed formal [4 + 1 + 1]/[4 + 1] isocyanide-based annulation for construction of polyfunctionalized pyrano- and furoquinolines.","Organic & biomolecular chemistry","2025","23","22","5423","5427","10.1039/d5ob00512d","","","0.71073","MoKα","","0.1046","0.0558","","","0.1223","0.1446","","","","","","1.034","","","","has coordinates","301095","2025-07-06","17:46:15",""
"7160546","11.97","0.002","20.271","0.004","27.852","0.005","90","","90","","90","","6758","2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C312 H288 N24 O60 -","12","3","","Wu, Sheng-Feng; Wang, Zhi-Yuan; Sun, Xing-Wen","Squaramide-catalyzed aza-Michael/Michael cyclization cascade reaction: one-pot enantioselective construction of highly functionalized γ-lactams.","Organic & biomolecular chemistry","2025","23","22","5373","5379","10.1039/d5ob00572h","","","1.34139","GaKα","","0.0985","0.0577","","","0.1452","0.186","","","","","","1.083","","","","has coordinates","301089","2025-07-06","17:45:16",""
"7160547","5.5284","0.0003","9.1429","0.0004","31.8213","0.0017","90","","90","","90","","1608.43","0.14","655","2","655","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 I O2 S -","- C16 H15 I O2 S -","- C64 H60 I4 O8 S4 -","4","1","","Peng, Guiting; Wei, Fang; Bai, Jiang; Ding, Haixin; Yu, Xin; Xiao, Qiang","Metal-free iodosulfonylation of alkynes to access (<i>E</i>)-β-iodovinyl sulfones in water.","Organic & biomolecular chemistry","2025","23","22","5301","5306","10.1039/d5ob00483g","","","0.71073","MoKα","","0.0491","0.0443","","","0.1041","0.1083","","","","","","1.082","","","","has coordinates","301087","2025-07-06","17:44:57",""
"7160548","45.4955","0.0013","7.7004","0.0002","11.701","0.0003","90","","91.833","0.001","90","","4097.16","0.19","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H30 N2 O2 S -","- C21 H30 N2 O2 S -","- C168 H240 N16 O16 S8 -","8","1","","Averdunk, Conrad; Wegner, Hermann A.","Systematic investigation of the structure-property relationship of substituted <i>p</i>-alkoxy-azothiophenes.","Organic & biomolecular chemistry","2025","23","24","5805","5811","10.1039/d5ob00506j","","","0.71073","MoKα","","0.0373","0.0316","","","0.084","0.0895","","","","","","1.041","","","","has coordinates","301080","2025-07-06","17:43:26",""
"7160549","43.9751","0.0017","7.606","0.0003","11.7129","0.0005","90","","92.35","0.002","90","","3914.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N2 O2 S -","- C20 H28 N2 O2 S -","- C160 H224 N16 O16 S8 -","8","1","","Averdunk, Conrad; Wegner, Hermann A.","Systematic investigation of the structure-property relationship of substituted <i>p</i>-alkoxy-azothiophenes.","Organic & biomolecular chemistry","2025","23","24","5805","5811","10.1039/d5ob00506j","","","0.71073","MoKα","","0.0482","0.0409","","","0.1057","0.111","","","","","","1.066","","","","has coordinates","301080","2025-07-06","17:43:27",""
"7160550","43.3863","0.0018","7.719","0.0003","11.9556","0.0005","90","","92.022","0.002","90","","4001.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H30 N2 O S -","- C21 H30 N2 O S -","- C168 H240 N16 O8 S8 -","8","1","","Averdunk, Conrad; Wegner, Hermann A.","Systematic investigation of the structure-property relationship of substituted <i>p</i>-alkoxy-azothiophenes.","Organic & biomolecular chemistry","2025","23","24","5805","5811","10.1039/d5ob00506j","","","0.71073","MoKα","","0.0481","0.0358","","","0.0887","0.0957","","","","","","1.024","","","","has coordinates","301080","2025-07-06","17:43:36",""
"7160551","5.5183","0.0002","10.8362","0.0003","35.1655","0.0012","90","","93.063","0.002","90","","2099.8","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 O2 S -","- C22 H32 N2 O2 S -","- C88 H128 N8 O8 S4 -","4","1","","Averdunk, Conrad; Wegner, Hermann A.","Systematic investigation of the structure-property relationship of substituted <i>p</i>-alkoxy-azothiophenes.","Organic & biomolecular chemistry","2025","23","24","5805","5811","10.1039/d5ob00506j","","","0.71073","MoKα","","0.0407","0.0362","","","0.0969","0.1007","","","","","","1.063","","","","has coordinates","301080","2025-07-06","17:43:36",""
"7160552","19.3649","0.0004","5.5425","0.0001","17.0356","0.0004","90","","116.075","0.002","90","","1642.33","0.07","295.7","0.1","295.7","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Peng, Shuang; Su, Tong; Yang, Xuan; Li, Jia-Jie; Wan, Jie; Ni, Hai-Liang; Cao, Peng; Hu, Ping; Wang, Bi-Qin; Chen, Bin","Rhodium-catalyzed isomerization of homoallylic alcohols with a tethered carbonyl group: pathway to 1,6-diketones.","Organic & biomolecular chemistry","2025","23","22","5417","5422","10.1039/d5ob00473j","","x-ray","1.54184","CuKα","","0.0512","0.045","","","0.1271","0.1322","","","","","","1.088","","","","has coordinates","301088","2025-07-06","17:45:09",""
"7160553","6.4891","0.0006","15.3488","0.0014","16.4646","0.0014","96.394","0.003","100.99","0.003","95.099","0.003","1589.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,1'-(4,9-diphenyl-5-(5-phenylisoxazol-3-yl)-2,3-dihydro-1H-cyclopenta[b]naphthalene-2,2-diyl)bis(ethan-1-one)","","- C38 H29 N O3 -","- C38 H29 N O3 -","- C76 H58 N2 O6 -","2","1","","Kotipalli, Ramesh; Mahipal Reddy, T.; Nanubolu, Jagadeesh Babu; Reddy, Maddi Sridhar","Rhodium catalyzed sequential dual C-H annulation of 3-arylisoxazoles with 1,6-diynes to access fused naphthalenes.","Organic & biomolecular chemistry","2025","23","24","5753","5757","10.1039/d5ob00466g","","","0.71073","MoKα","","0.1166","0.0531","","","0.1268","0.1526","","","","","","1.007","","","","has coordinates","301083","2025-07-06","17:44:26",""
"7160554","9.9024","0.0002","12.6959","0.0002","10.5735","0.0002","90","","97.066","0.001","90","","1319.2","0.04","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H28 F2 O4 S -","- C32 H28 F2 O4 S -","- C64 H56 F4 O8 S2 -","2","1","","Chang, Wenning; Wang, En; Liang, Junqing; Shao, Xusheng; Xu, Xiaoyong; Yang, Wu-Lin; Li, Zhong","Organocatalytic enantioselective α-difluoromethylketone thiolation of β-keto esters using phthalimide-SCF<sub>2</sub>COAr.","Organic & biomolecular chemistry","2025","23","24","5747","5752","10.1039/d5ob00520e","","","1.34139","GaKα","","0.031","0.0284","","","0.0714","0.0724","","","","","","1.032","","","","has coordinates","301081","2025-07-06","17:43:44",""
"7160555","10.8947","0.0007","15.2408","0.0009","27.3806","0.0016","81.262","0.004","85.221","0.004","81.397","0.004","4434.5","0.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C92 H104 N2 O27 S4 -","- C92 H104 N2 O27 S4 -","- C184 H208 N4 O54 S8 -","2","2","","Prieto-Castañeda, Alejandro; Martin, Harlei; Manna, Tapasi; Beswick, Laura; McLean, Joshua T.; Pongener, Imlirenla; González, Inés Rabadán; Twamley, Brendan; Miller, Gavin J.; Scanlan, Eoin M.","Photoinitiated thiol-ene mediated functionalisation of 4,5-enoses.","Organic & biomolecular chemistry","2025","23","22","5332","5338","10.1039/d5ob00507h","","","1.54178","CuKα","","0.1098","0.0884","","","0.2286","0.2512","","","","","","1.046","","","","has coordinates,has disorder","301092","2025-07-06","17:45:44",""
"7160556","9.1441","0.0005","8.1239","0.0004","11.0985","0.0005","90","","94.13","0.003","90","","822.32","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 O8 S2 -","- C13 H18 O8 S2 -","- C26 H36 O16 S4 -","2","1","","Prieto-Castañeda, Alejandro; Martin, Harlei; Manna, Tapasi; Beswick, Laura; McLean, Joshua T.; Pongener, Imlirenla; González, Inés Rabadán; Twamley, Brendan; Miller, Gavin J.; Scanlan, Eoin M.","Photoinitiated thiol-ene mediated functionalisation of 4,5-enoses.","Organic & biomolecular chemistry","2025","23","22","5332","5338","10.1039/d5ob00507h","","x-ray","1.54178","CuKα","K-L~3~","0.0602","0.053","","","0.1413","0.1476","","","","","","1.079","","","","has coordinates,has disorder","301092","2025-07-06","17:45:44",""
"7160557","8.5662","0.0003","11.8991","0.0004","19.6088","0.0007","90","","90","","90","","1998.73","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 O9 S2 -","- C16 H24 O9 S2 -","- C64 H96 O36 S8 -","4","1","","Prieto-Castañeda, Alejandro; Martin, Harlei; Manna, Tapasi; Beswick, Laura; McLean, Joshua T.; Pongener, Imlirenla; González, Inés Rabadán; Twamley, Brendan; Miller, Gavin J.; Scanlan, Eoin M.","Photoinitiated thiol-ene mediated functionalisation of 4,5-enoses.","Organic & biomolecular chemistry","2025","23","22","5332","5338","10.1039/d5ob00507h","","x-ray","1.54178","CuKα","K-L~3~","0.0329","0.0326","","","0.0897","0.09","","","","","","1.036","","","","has coordinates","301092","2025-07-06","17:45:44",""
"7160558","11.1283","0.0003","7.6491","0.0002","11.5435","0.0003","90","","92.8088","0.0014","90","","981.42","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H22 O9 S2 -","- C15 H22 O9 S2 -","- C30 H44 O18 S4 -","2","1","","Prieto-Castañeda, Alejandro; Martin, Harlei; Manna, Tapasi; Beswick, Laura; McLean, Joshua T.; Pongener, Imlirenla; González, Inés Rabadán; Twamley, Brendan; Miller, Gavin J.; Scanlan, Eoin M.","Photoinitiated thiol-ene mediated functionalisation of 4,5-enoses.","Organic & biomolecular chemistry","2025","23","22","5332","5338","10.1039/d5ob00507h","","x-ray","0.71073","MoKα","K-L~3~","0.0671","0.044","","","0.0982","0.108","","","","","","1.08","","","","has coordinates,has disorder","301092","2025-07-06","17:45:44",""
"7160559","11.7242","0.0005","14.3519","0.0007","22.1388","0.001","108.644","0.002","93.89","0.002","101.156","0.002","3429.1","0.3","223","","223","","","","","","","","","3","P -1","-P 1","2","","(E)-2-((E)-1,2-diphenylvinyl)-5-oxo-3,4-diphenyl-2,5-dihydrofuran-2-yl 2,3-diphenylacrylate","","- C45 H32 O4 -","- C45 H32 O4 -","- C180 H128 O16 -","4","2","","Li, Fujuan; Yang, Danna; Qu, Hongyan; Zhu, Mingqi; Zheng, Suqing","Phosphine-catalyzed reaction of cyclopropenones with water: divergent synthesis of highly functionalized γ-butenolides, trisubstituted α,β-unsaturated acids and anhydride.","Organic & biomolecular chemistry","2025","23","23","5582","5589","10.1039/d5ob00306g","","","0.71073","MoKα","","0.1081","0.0535","","","0.1191","0.1552","","","","","","1.023","","","","has coordinates","301173","2025-07-06","17:59:36",""
"7160560","6.3648","0.0002","9.0644","0.0003","9.3365","0.0003","73.81","0.001","73.504","0.001","85.164","0.001","495.99","0.03","173","","173","","","","","","","","","4","P 1","P 1","1","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C27 H21 N O2 -","1","1","","Ni, Hui; Liu, Anyao; Fu, Xiaoying; Zhang, Xinyi; Xue, Xiaowen; Lyu, Xiang; Lin, Aijun; He, Yuli","Catalytic dynamic kinetic reductive addition of simple aldehydes and aldimines with heterobiaryl triflates: harnessing both central and axial chirality.","Organic & biomolecular chemistry","2025","23","23","5666","5671","10.1039/d5ob00521c","","","1.54178","CuKα","","0.0448","0.044","","","0.1177","0.1189","","","","","","1.04","","","","has coordinates","301178","2025-07-06","18:00:39",""
"7160561","8.4757","0.0017","11.538","0.003","11.708","0.002","90","","90","","90","","1145","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Sui, Guoqing; Song, Xiaoqing; Guo, Huihui; Xie, Xiaolan; Ren, Li; Zhou, Wenming; Hao, Hong-Dong","Synthesis of the tricyclic skeleton of aberrarone.","Organic & biomolecular chemistry","2025","23","24","5763","5766","10.1039/d5ob00644a","","","0.71073","MoKα","","0.1845","0.0668","","","0.0836","0.1059","","","","","","1.009","","","","has coordinates","301085","2025-07-06","17:44:40",""
"7160562","8.2115","0.0014","8.6473","0.0015","18.221","0.003","92.225","0.004","95.522","0.004","117.574","0.004","1136.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H39 O3 Si -","- C22 H39 O3 Si -","- C44 H78 O6 Si2 -","2","1","","Sui, Guoqing; Song, Xiaoqing; Guo, Huihui; Xie, Xiaolan; Ren, Li; Zhou, Wenming; Hao, Hong-Dong","Synthesis of the tricyclic skeleton of aberrarone.","Organic & biomolecular chemistry","2025","23","24","5763","5766","10.1039/d5ob00644a","","","0.71073","MoKα","","0.2544","0.0953","","","0.1663","0.2144","","","","","","1.007","","","","has coordinates","301085","2025-07-06","17:44:40",""
"7160563","5.8934","0.0005","10.2828","0.0007","17.2226","0.0013","90","","90","","90","","1043.7","0.14","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Sun, Ting; Zhu, Wen Chao; Zhu, Qin; Wang, Shao Yin; Wang, Guo Dong; Li, Jiang-Fei","<sup><i>n</i></sup> Bu<sub>4</sub>NBr-catalyzed esterification of methoxyarenes with acyl bromide.","Organic & biomolecular chemistry","2025","23","24","5767","5772","10.1039/d5ob00612k","","x-ray","0.71073","MoKα","","0.0852","0.0437","","","0.0774","0.0919","","","","","","1.014","","","","has coordinates","301086","2025-07-06","17:44:46",""
"7160564","14.6389","0.0004","14.5769","0.0004","17.9618","0.0004","90","","99.955","0.001","90","","3775.16","0.17","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H16 N4 O5 -","- C20 H16 N4 O5 -","- C160 H128 N32 O40 -","8","4","","Chagas, Thaynan A. B.; Piscelli, Bruno A.; Santos, Hugo; Lima, Sâmia R; Cormanich, Rodrigo A.; Fernandes, Fábio S; Coelho, Fernando","An asymmetric and theoretical approach to the Morita-Baylis-Hillman reaction using vinyl-1,2,4-oxadiazoles as nucleophiles.","Organic & biomolecular chemistry","2025","23","24","5872","5881","10.1039/d5ob00540j","","","1.54178","CuKα","","0.0417","0.0393","","","0.0983","0.1001","","","","","","1.037","","","","has coordinates,has disorder","301084","2025-07-06","17:44:33",""
"7160565","31.0324","0.0014","31.0324","0.0014","7.7109","0.0004","90","","90","","90","","7425.7","0.6","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C9 H8 Cl2 O -","- C9 H8 Cl2 O -","- C288 H256 Cl64 O32 -","32","2","","Shuvakin, Serhii I.; Serhieiev, Oleksii M.; Dashko, Maksym O.; Pendiukh, Viacheslav V.; Ivonin, Sergey P.; Shishkina, Svitlana V.; Rozhenko, Alexander B.; Pashenko, Olexandr Ye; Volochnyuk, Dmytro M.; Ryabukhin, Serhiy V.","Substituted cyclopropanols <i>via</i> sequential cyclopropanation and oxidative hydrolysis of vinylboronates.","Organic & biomolecular chemistry","2025","23","26","6343","6348","10.1039/d5ob00691k","","","0.71073","MoKα","","0.1393","0.093","","","0.1445","0.1588","","","","","","1.188","","","","has coordinates,has disorder","301101","2025-07-06","17:47:20",""
"7160566","11.516","0.001","13.0682","0.0012","13.6833","0.0014","71.107","0.003","77.855","0.003","71.037","0.003","1829.8","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","3l","2-(4-methoxyphenyl)-5-phenyl-5,6-dihydropyrazolo[1,5-c]quinazoline","","- C23 H19 N3 O -","- C23 H19 N3 O -","- C92 H76 N12 O4 -","4","2","","Srikanth, Danaboina; Shejul, Gayatri Diliprao; Joshi, Swanand Vinayak; Kalam, Abdul; Jahnavi, Avvaru Subha; Dikundwar, Amol G.; Chopra, Sidharth; Yaddanapudi, Madhavi Venkata; Nanduri, Srinivas","Transition metal-free one-pot tandem chemoselective reduction and cyclization of 3/5-(2-nitrophenyl)-1<i>H</i>-pyrazoles using sodium dithionite.","Organic & biomolecular chemistry","2025","23","24","5812","5820","10.1039/d5ob00610d","","x-ray","0.71073","MoKα","","0.0623","0.047","","","0.1427","0.1563","","","","","","1.106","","","","has coordinates","301082","2025-07-06","17:44:18",""
"7160567","13.1496","0.0003","14.1579","0.0004","15.3629","0.0004","90","","90.38","0.001","90","","2860.06","0.13","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H26 N2 O2 P2 S2 -","- C31 H26 N2 O2 P2 S2 -","- C124 H104 N8 O8 P8 S8 -","4","2","","Xie, Dong-Liang; Tian, Hu; Yin, Liang","Copper(I)-catalyzed asymmetric addition of diarylphosphine sulfides to aldimines.","Organic & biomolecular chemistry","2025","23","25","6106","6110","10.1039/d5ob00682a","","","1.34139","GaKα","","0.0541","0.0464","","","0.1071","0.1116","","","","","","1.017","","","","has coordinates","301141","2025-07-06","17:54:25",""
"7160568","14.4331","0.0002","17.0683","0.0003","20.0983","0.0003","90","","90","","90","","4951.19","0.13","304","2","304","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H22 Cl2 O S2 -","- C27 H22 Cl2 O S2 -","- C216 H176 Cl16 O8 S16 -","8","1","","Zheng, Yi; Li, Rui-Peng; Gong, Xiaomeng; Xu, Xiangrong; Tang, Shouchu","Base-promoted [4 + 2] cycloaddition of alkynyl 1,3-dithianes and chalcones to access highly substituted pyran derivatives.","Organic & biomolecular chemistry","2025","23","25","6209","6213","10.1039/d5ob00650c","","","1.54184","CuKα","","0.066","0.0547","","","0.1548","0.1647","","","","","","1.05","","","","has coordinates","301135","2025-07-06","17:53:16",""
"7160569","11.974","0.005","13.462","0.005","16.117","0.006","94.77","0.02","103.893","0.018","115.491","0.018","2224.3","1.6","110","2","110","","","","","","","","","5","P -1","-P 1","2","","","","- C37.56 H63.58 Cl3.67 N5 O8 -","- C37.5676 H63.6112 Cl3.6592 N5 O8 -","- C75.1352 H127.222 Cl7.3184 N10 O16 -","2","1","","Seo, Nuri; Kim, Yujin; Lee, Jieun; Kim, Jieun; Kang, Philjae; Guzei, Ilia A.; Lee, Ha-Jin; Choi, Soo Hyuk","Crystallographic characterization of the 9/11-helix: a left-handed helix for 1 : 1 α/β-peptides containing L-α-amino acid residues.","Organic & biomolecular chemistry","2025","23","25","6133","6137","10.1039/d5ob00621j","","","0.71073","MoKα","","0.1157","0.0742","","","0.1936","0.2189","","","","","","1.069","","","","has coordinates,has disorder","301136","2025-07-06","17:53:37",""
"7160570","10.7446","0.0012","18.069","0.002","37.895","0.004","90","","90.547","0.004","90","","7356.8","1.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H97 N9 O12 -","- C58 H97 N9 O12 -","- C232 H388 N36 O48 -","4","1","","Seo, Nuri; Kim, Yujin; Lee, Jieun; Kim, Jieun; Kang, Philjae; Guzei, Ilia A.; Lee, Ha-Jin; Choi, Soo Hyuk","Crystallographic characterization of the 9/11-helix: a left-handed helix for 1 : 1 α/β-peptides containing L-α-amino acid residues.","Organic & biomolecular chemistry","2025","23","25","6133","6137","10.1039/d5ob00621j","","","1.54178","CuKα","","0.2091","0.1164","","","0.3559","0.408","","","","","","1.481","","","","has coordinates","301136","2025-07-06","17:53:37",""
"7160571","18.468","0.004","19.384","0.004","23.636","0.005","99.67","0.03","93.03","0.03","106.32","0.03","7960","3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C47 H79 N7 O10 -","- C47 H79 N7 O10 -","- C282 H474 N42 O60 -","6","3","","Seo, Nuri; Kim, Yujin; Lee, Jieun; Kim, Jieun; Kang, Philjae; Guzei, Ilia A.; Lee, Ha-Jin; Choi, Soo Hyuk","Crystallographic characterization of the 9/11-helix: a left-handed helix for 1 : 1 α/β-peptides containing L-α-amino acid residues.","Organic & biomolecular chemistry","2025","23","25","6133","6137","10.1039/d5ob00621j","","","0.63","synchrotron","","0.1075","0.0465","","","0.1503","0.1685","","","","","","0.817","","","","has coordinates","301136","2025-07-06","17:53:37",""
"7160572","17.4573","0.0007","8.6334","0.0003","22.4641","0.0008","90","","103.894","0.001","90","","3286.6","0.2","130","0.5","130","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Cl F6 N3 O8 -","- C30 H36 Cl F6 N3 O8 -","- C120 H144 Cl4 F24 N12 O32 -","4","1","","Jagleniec, Damian; Sęktas, Katarzyna; Dobrzycki, Łukasz; Ludwinek, Miłosz; Nasulewicz-Goldeman, Anna; Wietrzyk, Joanna; Romański, Jan","Multifunctional supramolecular receptors: aqueous ion recognition, HCl sensing and cytotoxic potential.","Organic & biomolecular chemistry","2025","23","26","6425","6433","10.1039/d5ob00585j","","","0.71073","MoKα","","0.0353","0.0302","","","0.0732","0.0767","","","","","","1.034","","","","has coordinates,has disorder","301100","2025-07-06","17:47:13",""
"7160573","4.6699","0.0002","15.4753","0.0007","20.66","0.0009","89.087","0.002","88.544","0.002","88.775","0.002","1492.06","0.11","130","0.5","130","0.5","","","","","","","","5","P 1","P 1","1","","","","- C30 H35 F6 N3 O8 -","- C30 H35 F6 N3 O8 -","- C60 H70 F12 N6 O16 -","2","2","","Jagleniec, Damian; Sęktas, Katarzyna; Dobrzycki, Łukasz; Ludwinek, Miłosz; Nasulewicz-Goldeman, Anna; Wietrzyk, Joanna; Romański, Jan","Multifunctional supramolecular receptors: aqueous ion recognition, HCl sensing and cytotoxic potential.","Organic & biomolecular chemistry","2025","23","26","6425","6433","10.1039/d5ob00585j","","","0.71073","MoKα","","0.0301","0.0278","","","0.0695","0.071","","","","","","1.031","","","","has coordinates,has disorder","301100","2025-07-06","17:47:13",""
"7160574","13.41874","0.00011","7.27707","0.00005","20.60254","0.00015","90","","104.508","0.0008","90","","1947.67","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Iodo-5-phenylphenanthro[9,10-f]quinoxaline","","- C26 H15 I N2 -","- C26 H15 I N2 -","- C104 H60 I4 N8 -","4","1","","Sokha, Samita J.; Marchenko, Sergey S.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Double aza[4,5]helicenes with a common naphthalene core: synthesis, crystal structure and optical properties.","Organic & biomolecular chemistry","2025","23","25","6162","6169","10.1039/d5ob00739a","","x-ray","1.54184","CuKα","","0.0268","0.0253","","","0.0691","0.0703","","","","","","1.062","","","","has coordinates","301134","2025-07-06","17:53:09",""
"7160575","15.2948","0.0002","13.819","0.0001","11.1339","0.0001","90","","93.386","0.001","90","","2349.14","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","10-(p-Tolyl)naphtho[2,1-f]phenanthro[9,10-h]quinoline","","- C36 H23 N -","- C36 H23 N -","- C144 H92 N4 -","4","1","","Sokha, Samita J.; Marchenko, Sergey S.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Double aza[4,5]helicenes with a common naphthalene core: synthesis, crystal structure and optical properties.","Organic & biomolecular chemistry","2025","23","25","6162","6169","10.1039/d5ob00739a","","x-ray","1.54184","CuKα","","0.0577","0.0535","","","0.1469","0.1511","","","","","","1.069","","","","has coordinates","301134","2025-07-06","17:53:09",""
"7160576","15.3608","0.0002","13.6967","0.0001","11.1042","0.0001","90","","93.796","0.001","90","","2331.11","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","10-(p-Tolyl)naphtho[2,1-f]phenanthro[9,10-h]quinoxaline","","- C35 H22 N2 -","- C35 H22 N2 -","- C140 H88 N8 -","4","1","","Sokha, Samita J.; Marchenko, Sergey S.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Double aza[4,5]helicenes with a common naphthalene core: synthesis, crystal structure and optical properties.","Organic & biomolecular chemistry","2025","23","25","6162","6169","10.1039/d5ob00739a","","x-ray","1.54184","CuKα","","0.0549","0.0474","","","0.1217","0.1277","","","","","","1.037","","","","has coordinates","301134","2025-07-06","17:53:09",""
"7160577","8.9067","0.0003","11.7479","0.0004","14.91","0.0005","94.611","0.003","100.588","0.003","107.817","0.003","1444.35","0.09","100.01","0.15","100.01","0.15","","","","","","","","3","P -1","-P 1","2","","9-(p-Tolyl)naphtho[2,1-a]phenanthro[9,10-c]phenazine","","- C39 H24 N2 -","- C39 H24 N2 -","- C78 H48 N4 -","2","1","","Sokha, Samita J.; Marchenko, Sergey S.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Double aza[4,5]helicenes with a common naphthalene core: synthesis, crystal structure and optical properties.","Organic & biomolecular chemistry","2025","23","25","6162","6169","10.1039/d5ob00739a","","x-ray","1.54184","CuKα","","0.0463","0.0405","","","0.1095","0.1152","","","","","","1.053","","","","has coordinates","301134","2025-07-06","17:53:09",""
"7160578","16.7661","0.0002","6.8985","0.00009","16.2957","0.0002","90","","102.296","0.0014","90","","1841.54","0.04","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 F2 N O4 -","- C19 H21 F2 N O4 -","- C76 H84 F8 N4 O16 -","4","1","","Kaukulis, Martins; Rucins, Martins; Muhamadejevs, Ruslans; Mishnev, Anatoly; Pajuste, Karlis; Plotniece, Aiva; Sobolev, Arkadij; Pikun, Nadiia","Multistep synthesis of cationic lipid-like compounds based on a difluorotetrahydropyridine scaffold as amphiphilic nanocarriers.","Organic & biomolecular chemistry","2025","23","25","6174","6190","10.1039/d5ob00409h","","","1.54184","CuKα","","0.0362","0.0354","","","0.0993","0.0999","","","","","","1.062","","","","has coordinates","301139","2025-07-06","17:54:12",""
"7160579","12.5465","0.0005","8.4111","0.0004","20.7394","0.0003","90","","94.1132","0.0019","90","","2182.99","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 F2 N O4 -","- C25 H25 F2 N O4 -","- C100 H100 F8 N4 O16 -","4","1","","Kaukulis, Martins; Rucins, Martins; Muhamadejevs, Ruslans; Mishnev, Anatoly; Pajuste, Karlis; Plotniece, Aiva; Sobolev, Arkadij; Pikun, Nadiia","Multistep synthesis of cationic lipid-like compounds based on a difluorotetrahydropyridine scaffold as amphiphilic nanocarriers.","Organic & biomolecular chemistry","2025","23","25","6174","6190","10.1039/d5ob00409h","","","1.54184","CuKα","","0.0368","0.0333","","","0.0859","0.089","","","","","","1.004","","","","has coordinates","301139","2025-07-06","17:54:12",""
"7160580","11.6652","0.0012","11.4053","0.0012","22.148","0.002","90","","90","","90","","2946.7","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N4 O -","- C15 H16 N4 O -","- C120 H128 N32 O8 -","8","1","","Zhu, Chen; Zhang, Jing; Yang, Jiaxin; Li, Xinxin; Wang, Xinyu; Shi, Hu; Jin, Hui; Zhang, Lixin","Ketenes as dienophiles in aza-Diels-Alder reactions with dicyanohydrazones for accessing pyridazin-3(2<i>H</i>)-ones.","Organic & biomolecular chemistry","2025","23","25","6220","6224","10.1039/d5ob00844a","","","0.71073","MoKα","","0.1454","0.0921","","","0.193","0.2229","","","","","","1.158","","","","has coordinates","301140","2025-07-06","17:54:18",""
"7160581","5.78458","0.00012","7.85285","0.00014","17.1515","0.0002","93.0396","0.0013","94.1142","0.0014","101.494","0.0016","759.71","0.02","181","16","181","16","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 N2 O2 -","- C17 H24 N2 O2 -","- C34 H48 N4 O4 -","2","1","","Jiménez-Aberásturi, Xabier; Padrones, Gurutze; Vicario, Javier; de Los Santos, Jesús M","Catalyst-free microwave-assisted azo-Povarov reaction of <i>N</i>-carbonyl aryldiazenes with <i>trans</i>-cyclooctene to access ring-fused cinnoline derivatives.","Organic & biomolecular chemistry","2025","23","25","6200","6208","10.1039/d5ob00508f","","x-ray","1.54184","CuKα","","0.0473","0.0453","","","0.1173","0.1193","","","","","","1.073","","","","has coordinates","301137","2025-07-06","17:53:49",""
"7160582","10.883","0.004","6.841","0.002","22.542","0.007","90","","99.404","0.011","90","","1655.7","0.9","200","","200","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","","Hong, Kai; Zhang, Tengfei; Li, Qing; Li, Xue; Sun, Zhonghui; Zhao, Gongyuan; Peng, Jinsong; Chen, Chunxia","Pd(II)-catalyzed domino C-H addition/Heck reaction for stereoselective 3-alkylideneoxindole synthesis.","Organic & biomolecular chemistry","2025","23","26","6391","6399","10.1039/d5ob00666j","","","1.34139","GaKα","","0.1196","0.0845","","","0.2381","0.2783","","","","","","1.062","","","","has coordinates,has disorder","301102","2025-07-06","17:47:26",""
"7160583","11.0954","0.0007","15.8197","0.0009","17.3494","0.0012","90","","90","","90","","3045.3","0.3","273.15","","273.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H14 O2 -","- C21 H14 O2 -","- C168 H112 O16 -","8","1","","Waghmare, Pradip S.; Satyanarayana, Gedu","Microwave-assisted one-pot synthesis of dibenzo[<i>b</i>,<i>d</i>]oxepines <i>via</i> domino C-C coupling and a cyclo-condensation pathway.","Organic & biomolecular chemistry","2025","23","26","6349","6354","10.1039/d5ob00743g","","","0.71073","MoKα","","0.0898","0.0425","","","0.0933","0.1111","","","","","","1.037","","","","has coordinates","301099","2025-07-06","17:47:04",""
"7160584","14.564","0.005","11.352","0.004","11.354","0.004","90","","96.202","0.009","90","","1866.2","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F3 N3 O3 -","- C18 H18 F3 N3 O3 -","- C72 H72 F12 N12 O12 -","4","1","","Patil, Baliram R.; Nichinde, Chandrakant B.; Girase, Amardipsing S.; Chaudhari, Suryakant S.; Kinage, Anil K.","Conjugate addition/cyclization of propanal with isatylidene malononitriles: an efficient one-pot organocatalytic approach for the synthesis of 3'-methyl spiro[2<i>H</i>-pyran-3,4'-indoline].","Organic & biomolecular chemistry","2025","23","25","6214","6219","10.1039/d5ob00553a","","","0.71073","MoKα","","0.0767","0.0518","","","0.1195","0.1361","","","","","","1.025","","","","has coordinates,has disorder","301138","2025-07-06","17:54:04",""
"7160585","9.303","0.0013","8.9537","0.0013","17.411","0.002","90","","97.146","0.004","90","","1439","0.3","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O2 -","- C16 H17 N3 O2 -","- C64 H68 N12 O8 -","4","1","","Patil, Baliram R.; Nichinde, Chandrakant B.; Girase, Amardipsing S.; Chaudhari, Suryakant S.; Kinage, Anil K.","Conjugate addition/cyclization of propanal with isatylidene malononitriles: an efficient one-pot organocatalytic approach for the synthesis of 3'-methyl spiro[2<i>H</i>-pyran-3,4'-indoline].","Organic & biomolecular chemistry","2025","23","25","6214","6219","10.1039/d5ob00553a","","","0.71073","MoKα","","0.1001","0.0626","","","0.1188","0.1334","","","","","","1.106","","","","has coordinates","301138","2025-07-06","17:54:04",""
"7160586","11.598","0.0004","6.6697","0.0002","14.8861","0.0005","90","","100.902","0.003","90","","1130.73","0.07","298.81","0.1","298.81","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","Zhou, Cen; Chen, Xi-Xian; An, Bohang; Wu, Ling-Wei; Cui, Hao; Zhang, Xiao","Deprotonation of isoazatruxene enables photocatalytic arylation and phosphorylation of (hetero)aryl halides.","Organic & biomolecular chemistry","2025","23","43","9883","9889","10.1039/d5ob00537j","","x-ray","1.54184","CuKα","","0.0642","0.0614","","","0.1689","0.1732","","","","","","1.078","","","","has coordinates","303920","2025-11-29","22:04:51",""
"7160587","25.097","0.003","12.5844","0.0016","8.455","0.0011","90","","90","","90","","2670.3","0.6","300","","300","","","","","","","","","5","P c a 21","P 2c -2ac","29","","P-CHO","","- C16 H13 N O S -","- C16 H13 N O S -","- C128 H104 N8 O8 S8 -","8","2","","Subramanian, Karpagam; Vinayagam, Dhandapani","Dual Recognition Site-Based Ratiometric Fluorescent Probe with Reversible Mechanochromism and Acetochromism for Ultra-Sensitive Hypochlorite Detection","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB00676G","","","0.71073","MoKα","","0.1169","0.091","","","0.2092","0.2278","","","","","","1.059","","","","has coordinates","300044","2025-06-11","00:53:58",""
"7160588","11.3681","0.0012","12.4428","0.0012","17.317","0.0019","90","","90","","90","","2449.5","0.4","291","2","291","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H21 N O3 S -","- C30 H21 N O3 S -","- C120 H84 N4 O12 S4 -","4","1","","Ni, Hairui; Zhao, Xinyuan; Yu, Tongyan; Shen, Wei; You, Siliang; Deng, Chao","Radical cascade cyclization of chalcone skeleton enynes with sulfonylhydrazides: access to <i>meta</i>-sulfonyl-functionalized pyridines.","Organic & biomolecular chemistry","2025","23","27","6570","6575","10.1039/d5ob00792e","","","1.54178","CuKα","","0.0392","0.0377","","","0.0959","0.0966","","","","","","1.058","","","","has coordinates","303910","2025-11-29","22:01:52",""
"7160589","8.1083","0.0005","9.6805","0.0005","10.8014","0.0005","84.851","0.004","69.482","0.005","67.945","0.005","735.08","0.08","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","","Yamazaki, Ken; Akimoto, Shuta; Miura, Tomoya","Harnessing the reactivity of captodative radicals: photocatalytic α-pyridination of glycyl derivatives through reversible radical coupling.","Organic & biomolecular chemistry","2025","23","43","9936","9941","10.1039/d5ob00675a","","x-ray","0.71073","MoKα","","0.0455","0.0382","","","0.0986","0.1028","","","","","","1.065","","","","has coordinates","303921","2025-11-29","22:05:05",""
"7160590","7.4927","0.0006","18.0971","0.0012","11.2308","0.0009","90","","103.978","0.007","90","","1477.8","0.2","180.15","","180.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C64 H72 N8 O12 -","4","1","","Yamazaki, Ken; Akimoto, Shuta; Miura, Tomoya","Harnessing the reactivity of captodative radicals: photocatalytic α-pyridination of glycyl derivatives through reversible radical coupling.","Organic & biomolecular chemistry","2025","23","43","9936","9941","10.1039/d5ob00675a","","x-ray","0.71073","MoKα","","0.0866","0.061","","","0.1629","0.1765","","","","","","1.046","","","","has coordinates","303921","2025-11-29","22:05:16",""
"7160591","9.6221","0.0002","8.1595","0.0002","11.5469","0.0003","90","","91.6252","0.0009","90","","906.2","0.04","153","2","153.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O7 -","- C21 H22 O7 -","- C42 H44 O14 -","2","1","","Jiang, Wei; Li, Lin-Huan; Zhang, Lin-Min; Zhao, Huan; Li, Shao-Yang; Wang, Gao-Qian; Chen, Guo-Dong; Lv, Jian-Ming; Hu, Dan; Gao, Hao","Generation of two novel furanosteroids <i>via</i> heterologous expression of demethoxyviridin biosynthetic genes in a wortmannin-producing strain.","Organic & biomolecular chemistry","2025","23","28","6683","6686","10.1039/d5ob00856e","","","1.54184","CuKα","","0.0359","0.0355","","","0.094","0.0944","","","","","","1.102","","","","has coordinates","301637","2025-08-05","22:30:38",""
"7160592","10.3109","0.0006","17.7703","0.0011","18.358","0.0009","90","","90","","90","","3363.7","0.3","142","50","142","50","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C24 H18 -","- C24 H18 -","- C192 H144 -","8","1","","Zhang, Xin; Luo, Yuhang; Zhao, Xinjie; Xiao, Tiebo; Jiang, Yubo; Qin, Guiping; Wei, Yubo","Iron-catalyzed regioselective reductive cyclotrimerization of alkynyl bromides to 1,2,4-substituted arenes and D<sub>3</sub>-arenes.","Organic & biomolecular chemistry","2025","23","27","6551","6556","10.1039/d5ob00674k","","x-ray","1.54184","CuKα","","0.0687","0.0562","","","0.1621","0.1777","","","","","","1.127","","","","has coordinates","303912","2025-11-29","22:02:20",""
"7160593","7.809","0.003","9.962","0.004","11.501","0.004","99.417","0.004","109.569","0.004","95.765","0.004","820","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C40 H34 N6 O4 -","2","1","","Ku, Dohui; Song, Seoyoung; Kim, Ikyon","Regioselective double dehydrative cyclization route to construct polyheterocyclic skeletons consisting of 2,3-dihydroquinazolin-4(1<i>H</i>)-ones and 1,2-dihydropyrrolo[1,2-<i>a</i>]pyrazines.","Organic & biomolecular chemistry","2025","23","27","6589","6602","10.1039/d5ob00580a","","","0.71073","MoKα","","0.0701","0.0481","","","0.1246","0.1413","","","","","","1.034","","","","has coordinates","303909","2025-11-29","22:01:41",""
"7160594","8.301","0.0005","9.0115","0.0005","11.8908","0.0006","68.139","0.002","81.424","0.002","86.433","0.002","816.27","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C40 H30 N6 O2 -","2","1","","Ku, Dohui; Song, Seoyoung; Kim, Ikyon","Regioselective double dehydrative cyclization route to construct polyheterocyclic skeletons consisting of 2,3-dihydroquinazolin-4(1<i>H</i>)-ones and 1,2-dihydropyrrolo[1,2-<i>a</i>]pyrazines.","Organic & biomolecular chemistry","2025","23","27","6589","6602","10.1039/d5ob00580a","","","0.71073","MoKα","","0.0523","0.0421","","","0.1086","0.1193","","","","","","1.083","","","","has coordinates","303909","2025-11-29","22:01:42",""
"7160595","7.7786","0.0006","14.2417","0.0011","14.3928","0.0011","85.179","0.002","87.476","0.003","79.599","0.002","1562","0.2","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","2","","Ganesan, Ranjithkumar; Kamaraj, Sriraghavan","Convergent synthesis of coumarin C3-C4-fused fluorogenic quinoline scaffolds <i>via</i> aldehyde activation using <i>in situ</i> generated hydrazoic acid.","Organic & biomolecular chemistry","2025","23","27","6564","6569","10.1039/d5ob00633c","","","0.71073","MoKα","","0.0798","0.0532","","","0.1276","0.1456","","","","","","1.042","","","","has coordinates","303913","2025-11-29","22:02:34",""
"7160596","9.822","0.003","5.4227","0.0016","23.386","0.006","90","","99.596","0.01","90","","1228.2","0.6","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 N2 O4 -","- C16 H8 N2 O4 -","- C64 H32 N8 O16 -","4","1","","Ganesan, Ranjithkumar; Kamaraj, Sriraghavan","Convergent synthesis of coumarin C3-C4-fused fluorogenic quinoline scaffolds <i>via</i> aldehyde activation using <i>in situ</i> generated hydrazoic acid.","Organic & biomolecular chemistry","2025","23","27","6564","6569","10.1039/d5ob00633c","","","0.71073","MoKα","","0.0644","0.0422","","","0.0966","0.1138","","","","","","1.018","","","","has coordinates","303913","2025-11-29","22:02:34",""
"7160597","8.815","0.002","9.048","0.003","14.657","0.003","77.286","0.01","85.08","0.02","75.836","0.016","1105.1","0.5","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cl3 N3 O2 -","- C24 H18 Cl3 N3 O2 -","- C48 H36 Cl6 N6 O4 -","2","1","","Ganesan, Ranjithkumar; Kamaraj, Sriraghavan","Convergent synthesis of coumarin C3-C4-fused fluorogenic quinoline scaffolds <i>via</i> aldehyde activation using <i>in situ</i> generated hydrazoic acid.","Organic & biomolecular chemistry","2025","23","27","6564","6569","10.1039/d5ob00633c","","","0.71073","MoKα","","0.1694","0.1006","","","0.1907","0.225","","","","","","1.061","","","","has coordinates","303913","2025-11-29","22:02:34",""
"7160598","19.0707","0.0013","9.5161","0.0007","20.4834","0.0014","90","","90","","90","","3717.3","0.5","300","2","300","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C184 H160 N16 O24 -","8","2","","Ganesan, Ranjithkumar; Kamaraj, Sriraghavan","Convergent synthesis of coumarin C3-C4-fused fluorogenic quinoline scaffolds <i>via</i> aldehyde activation using <i>in situ</i> generated hydrazoic acid.","Organic & biomolecular chemistry","2025","23","27","6564","6569","10.1039/d5ob00633c","","","0.71073","MoKα","","0.1001","0.0475","","","0.1025","0.1274","","","","","","1.02","","","","has coordinates","303913","2025-11-29","22:02:34",""
"7160599","10.5691","0.0004","12.9071","0.0005","14.2075","0.0004","109.751","0.003","93.26","0.003","105.188","0.004","1737.7","0.12","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O7 S -","- C18 H18 O7 S -","- C72 H72 O28 S4 -","4","2","","Chang, Meng-Yang; Ou, Chen-Yo","One-pot synthesis of sulfonylmethyl phthalides <i>via</i> K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>/DMSO-mediated methylenylation/sulfonylation of eudesmic acid with sulfinates.","Organic & biomolecular chemistry","2025","23","27","6603","6609","10.1039/d5ob00632e","","x-ray","1.54184","CuKα","","0.052","0.0416","","","0.1108","0.1163","","","","","","1.077","","","","has coordinates","303908","2025-11-29","22:01:12",""
"7160600","3.8823","0.0002","30.4422","0.0018","9.0099","0.0006","90","","94.758","0.005","90","","1061.17","0.11","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O6 -","- C12 H12 O6 -","- C48 H48 O24 -","4","1","","Chang, Meng-Yang; Ou, Chen-Yo","One-pot synthesis of sulfonylmethyl phthalides <i>via</i> K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>/DMSO-mediated methylenylation/sulfonylation of eudesmic acid with sulfinates.","Organic & biomolecular chemistry","2025","23","27","6603","6609","10.1039/d5ob00632e","","x-ray","1.54184","CuKα","","0.0781","0.0622","","","0.1719","0.1881","","","","","","1.081","","","","has coordinates","303908","2025-11-29","22:01:13",""
"7160601","11.2124","0.0005","10.4043","0.0005","20.625","0.0009","90","","98.538","0.002","90","","2379.39","0.19","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C128 H80 N16 O16 -","8","1","","Sana, Rabindra Nath; Chakraborty, Sudipta; M, Vageesh; Adak, Soumen; Bhaumik, Tanurima; Dey, Raju; Manna, Susanta Kumar","Synthesis and biological evaluation of naphthoquinone-fused pyrrole and imidazopyridinedione heterocycles.","Organic & biomolecular chemistry","2025","23","30","7124","7131","10.1039/d5ob00564g","","","0.71073","MoKα","","0.0423","0.0386","","","0.1148","0.1178","","","","","","1.155","","","","has coordinates","301641","2025-08-05","22:32:14",""
"7160602","9.6418","0.0005","10.6417","0.0007","11.9051","0.0007","110.343","0.002","93.003","0.002","114.109","0.002","1018.1","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 F3 O -","- C26 H25 F3 O -","- C52 H50 F6 O2 -","2","1","","Wang, Xiao-Lin; Rupa, Kavuri; Zheng, Sheng-Cai; Zhao, Xiaoming","Dual photoredox/palladium-catalyzed three-component reaction for the synthesis of trifluoromethylated allylic alcohols.","Organic & biomolecular chemistry","2025","23","28","6687","6693","10.1039/d5ob00926j","","","0.71073","MoKα","","0.0772","0.0607","","","0.1464","0.1582","","","","","","1.045","","","","has coordinates","301635","2025-08-05","22:29:52",""
"7160603","9.4134","0.0005","10.6542","0.0007","12.1372","0.0007","90.043","0.005","104.592","0.005","106.186","0.005","1128.01","0.12","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H23 F2 N -","- C31 H23 F2 N -","- C62 H46 F4 N2 -","2","1","","Biswal, Priyabrata; Pullarat, Sanu Siyad; Samser, Shaikh; Aradhyula, Basava Punna Rao; Chandrasekhar, Vadapalli; Venkatasubbaiah, Krishnan","Ruthenium-catalysed isomerisation-methylenation of allyl alcohols with methanol: a one-pot synthesis of substituted pyridines.","Organic & biomolecular chemistry","2025","23","29","6931","6937","10.1039/d5ob00881f","","x-ray","0.71073","MoKα","","0.0766","0.0691","","","0.1841","0.1916","","","","","","1.065","","","","has coordinates","301634","2025-08-05","22:29:44",""
"7160604","7.8751","0.0002","9.2837","0.0002","14.3774","0.0004","73.689","0.002","78.406","0.003","84.583","0.002","987.44","0.05","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 N2 O2 -","- C21 H30 N2 O2 -","- C42 H60 N4 O4 -","2","1","","Yuan, Meng; Liu, Yang-Xin; Ding, Tie-Ying; Zhang, Ze-Xuan; Lian, Tian-Rui; Zhao, Peng-Fei; Du, Zhi-Hong; Da, Chao-Shan","Suppression of rapid deactivation of catalytic tetrapeptides in the asymmetric Michael addition of aldehydes to nitroolefins by supporting them on polymers.","Organic & biomolecular chemistry","2025","23","28","6819","6831","10.1039/d5ob00667h","","x-ray","1.54184","CuKα","","0.0733","0.0679","","","0.1848","0.1881","","","","","","1.061","","","","has coordinates","301638","2025-08-05","22:30:52",""
"7160605","9.3017","0.0002","10.601","0.0002","27.7102","0.0006","90","","90","","90","","2732.43","0.1","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H45 N5 O5 -","- C23 H45 N5 O5 -","- C92 H180 N20 O20 -","4","1","","Yuan, Meng; Liu, Yang-Xin; Ding, Tie-Ying; Zhang, Ze-Xuan; Lian, Tian-Rui; Zhao, Peng-Fei; Du, Zhi-Hong; Da, Chao-Shan","Suppression of rapid deactivation of catalytic tetrapeptides in the asymmetric Michael addition of aldehydes to nitroolefins by supporting them on polymers.","Organic & biomolecular chemistry","2025","23","28","6819","6831","10.1039/d5ob00667h","","x-ray","1.54184","CuKα","","0.041","0.0369","","","0.0951","0.1008","","","","","","1.071","","","","has coordinates","301638","2025-08-05","22:30:53",""
"7160606","11.629","0.003","12.102","0.003","13.779","0.003","68.406","0.006","85.378","0.007","66.181","0.006","1644.2","0.7","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H45 N O2 -","- C38 H45 N O2 -","- C76 H90 N2 O4 -","2","1","","Senapati, Siddhartha Kumar; Borah, Asish; Hazarika, Swagata; Das, Animesh","Triple role of boronic acid as a catalyst in the alkylation of quinoline to functionalized tetrahydroquinoline.","Organic & biomolecular chemistry","2025","23","31","7275","7282","10.1039/d5ob00895f","","","0.71073","MoKα","","0.0706","0.0543","","","0.1392","0.1583","","","","","","1.051","","","","has coordinates,has disorder","302758","2025-10-06","10:27:41",""
"7160607","8.932","0.004","14.231","0.007","9.581","0.005","90","","116.044","0.006","90","","1094.2","0.9","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 Br N2 O2 -","- C26 H21 Br N2 O2 -","- C52 H42 Br2 N4 O4 -","2","1","","Miao, Siyan; Li, Xian; Chen, Yao; Yu, Chenxia; Wang, Jiaomei; Yao, Changsheng; Zhang, Kai","Stereoselective synthesis of pyrano[2,3-<i>c</i>]pyrazolone derivatives <i>via</i> light-induced NHC catalyzed [4 + 2] annulations.","Organic & biomolecular chemistry","2025","23","27","6644","6651","10.1039/d5ob00586h","","","0.71073","MoKα","","0.0422","0.0354","","","0.0871","0.0902","","","","","","1.056","","","","has coordinates","303914","2025-11-29","22:02:47",""
"7160608","5.1084","0.0002","10.9354","0.0003","12.2655","0.0004","80.54","0.003","87.394","0.003","81.359","0.002","668.04","0.04","249.99","0.1","249.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Cl F N O -","- C15 H13 Cl F N O -","- C30 H26 Cl2 F2 N2 O2 -","2","1","","Liang, Xing-An; Chen, Qi-An; Wu, Weiying; Li, Yuzhen; Cheng, Yani; Huang, Mingyan; Mo, Shihua","Electrochemical amidochlorination between low-cost styrenes and amides.","Organic & biomolecular chemistry","2025","23","27","6610","6615","10.1039/d5ob00874c","","x-ray","1.54184","CuKα","","0.08","0.0737","","","0.21","0.217","","","","","","1.083","","","","has coordinates","303911","2025-11-29","22:02:10",""
"7160609","6.8089","0.0003","15.0295","0.0006","35.998","0.0017","90","","90","","90","","3683.8","0.3","295","2","295","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C152 H208 O32 -","8","1","","Surendran, Sravya; Ramachandran, Arathi; Goreti, Rajendar","First stereoselective approach for structure revision of nagiol and syntheses of 2,3-dihydroxyferruginol and ferruginol.","Organic & biomolecular chemistry","2025","23","29","6924","6930","10.1039/d5ob00946d","","","0.71073","MoKα","","0.0689","0.0536","","","0.1496","0.1631","","","","","","1.071","","","","has coordinates","301633","2025-08-05","22:29:31",""
"7160610","8.55121","0.00011","17.91412","0.00018","10.37495","0.00013","90","","113.005","0.0015","90","","1462.92","0.03","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 I N3 O S -","- C15 H10 I N3 O S -","- C60 H40 I4 N12 O4 S4 -","4","1","","Taboada-Seras, Borja; Santiago, Carlos; Sustatxa, Eider; Carral-Menoyo, Asier; Sotomayor, Nuria; Lete, Esther","Microwave assisted cobalt(III)-catalysed C-H aminocarbonylation reactions with isocyanates for the synthesis of thiophenecarboxamides.","Organic & biomolecular chemistry","2025","23","31","7283","7293","10.1039/d5ob00781j","","x-ray","1.54184","CuKα","","0.0649","0.0632","","","0.1554","0.1583","","","","","","1.038","","","","has coordinates","302759","2025-10-06","10:27:54",""
"7160611","9.7506","0.0011","11.3088","0.0013","13.4947","0.0017","90","","106.994","0.012","90","","1423.1","0.3","294.45","0.11","294.45","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-bromophenyl)isoquinolin-2-ium iodide","","- C15 H11 Br I N -","- C15 H11 Br I N -","- C60 H44 Br4 I4 N4 -","4","1","","Zhao, Juan; Qian, Hui-Min; Zi, You; Ji, Shun-Jun; Xu, Xiao-Ping","Mild and efficient construction of nitrogen-containing heterocycles from <i>ortho</i>-ethynylbenzaldehydes and anilines.","Organic & biomolecular chemistry","2025","23","29","6938","6942","10.1039/d5ob00634a","","x-ray","0.71073","MoKα","","0.0912","0.0478","","","0.0924","0.119","","","","","","1.036","","","","has coordinates","301632","2025-08-05","22:29:16",""
"7160612","14.6041","0.0003","10.4311","0.0002","21.7838","0.0004","90","","90","","90","","3318.47","0.11","294.15","","294.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3-methyl-N,2-di-p-tolylisoindolin-1-imine","","- C21 H18 N2 -","- C21 H18 N2 -","- C168 H144 N16 -","8","1","","Zhao, Juan; Qian, Hui-Min; Zi, You; Ji, Shun-Jun; Xu, Xiao-Ping","Mild and efficient construction of nitrogen-containing heterocycles from <i>ortho</i>-ethynylbenzaldehydes and anilines.","Organic & biomolecular chemistry","2025","23","29","6938","6942","10.1039/d5ob00634a","","x-ray","0.71073","MoKα","","0.0598","0.051","","","0.1263","0.1325","","","","","","1.073","","","","has coordinates","301632","2025-08-05","22:29:16",""
"7160613","9.5508","0.0007","11.5289","0.0007","28.804","0.002","90","","90","","90","","3171.6","0.4","273.15","","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 Cl N O4 Si -","- C32 H36 Cl N O4 Si -","- C128 H144 Cl4 N4 O16 Si4 -","4","1","","Li, Heping; Yao, Weijun; Wang, Zhen","Asymmetric [3 + 3] annulation of 3-hydroxyquinolin-2-ones <i>via</i> NHC organocatalysis.","Organic & biomolecular chemistry","2025","23","29","6892","6896","10.1039/d5ob00848d","","","0.71073","MoKα","","0.0912","0.0517","","","0.1162","0.14","","","","","","1.04","","","","has coordinates","301631","2025-08-05","22:29:06",""
"7160614","11.6874","0.0005","7.3297","0.0003","15.222","0.0007","90","","100.47","0.002","90","","1282.28","0.1","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H23 N3 O2 -","- C29 H23 N3 O2 -","- C58 H46 N6 O4 -","2","1","","Patel, Raj Naresh; Patel, Dharmik Mahendra; Thakur, Dinesh Gopichand; Rathod, Nileshkumar B.; Patel, Sachinkumar D.; Sonawane, Mahesh A.; Ghosh, Subhash Chandra","Synthesis of benzo[<i>d</i>,<i>e</i>]quinoline-spiro-succinimides <i>via</i> rhodium-catalyzed C-H activation/annulation of 1-naphthylamides with maleimides.","Organic & biomolecular chemistry","2025","23","29","6897","6902","10.1039/d5ob00825e","","","0.71073","MoKα","","0.0391","0.033","","","0.0884","0.0931","","","","","","1.058","","","","has coordinates","301629","2025-08-05","22:28:23",""
"7160615","8.9088","0.0004","10.2842","0.0005","18.4632","0.0008","90","","95.65","0.002","90","","1683.38","0.13","298","2","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 N3 O2 -","- C21 H15 N3 O2 -","- C84 H60 N12 O8 -","4","1","","Patel, Raj Naresh; Patel, Dharmik Mahendra; Thakur, Dinesh Gopichand; Rathod, Nileshkumar B.; Patel, Sachinkumar D.; Sonawane, Mahesh A.; Ghosh, Subhash Chandra","Synthesis of benzo[<i>d</i>,<i>e</i>]quinoline-spiro-succinimides <i>via</i> rhodium-catalyzed C-H activation/annulation of 1-naphthylamides with maleimides.","Organic & biomolecular chemistry","2025","23","29","6897","6902","10.1039/d5ob00825e","","","0.71073","MoKα","","0.0991","0.0624","","","0.1738","0.2031","","","","","","1.077","","","","has coordinates","301629","2025-08-05","22:28:23",""
"7160616","8.401","0.003","10.392","0.004","24.781","0.009","90","","96.749","0.013","90","","2148.5","1.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 N3 O3 -","- C27 H19 N3 O3 -","- C108 H76 N12 O12 -","4","1","","Patel, Raj Naresh; Patel, Dharmik Mahendra; Thakur, Dinesh Gopichand; Rathod, Nileshkumar B.; Patel, Sachinkumar D.; Sonawane, Mahesh A.; Ghosh, Subhash Chandra","Synthesis of benzo[<i>d</i>,<i>e</i>]quinoline-spiro-succinimides <i>via</i> rhodium-catalyzed C-H activation/annulation of 1-naphthylamides with maleimides.","Organic & biomolecular chemistry","2025","23","29","6897","6902","10.1039/d5ob00825e","","","0.71073","MoKα","","0.0735","0.0425","","","0.0943","0.1158","","","","","","1.066","","","","has coordinates","301629","2025-08-05","22:28:23",""
"7160617","9.28605","0.00011","14.2749","0.0003","14.7953","0.0003","63.9662","0.0018","89.9415","0.0012","81.1842","0.0013","1736.56","0.06","99.97","0.15","99.97","0.15","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F N3 O3 -","- C21 H16 F N3 O3 -","- C84 H64 F4 N12 O12 -","4","2","","Komogortsev, Andrey N.; Milyutin, Constantine V.; Lichitsky, Boris V.; Migulin, Vasily A.","UV-assisted rearrangement of substituted 3-arylaminopyrazoles with an allomaltol fragment into tricyclic cyclopenta[4,5]pyrrolo[2,3-<i>c</i>]pyrazole derivatives.","Organic & biomolecular chemistry","2025","23","28","6738","6744","10.1039/d5ob00796h","","x-ray","1.54184","CuKα","","0.0487","0.046","","","0.1304","0.1333","","","","","","1.031","","","","has coordinates","301640","2025-08-05","22:31:15",""
"7160618","10.4253","0.0003","10.7006","0.0003","11.1367","0.0003","95.717","0.002","91.608","0.002","110.539","0.003","1154.97","0.06","99.98","0.1","99.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 F N3 O5 S -","- C24 H24 F N3 O5 S -","- C48 H48 F2 N6 O10 S2 -","2","1","","Komogortsev, Andrey N.; Milyutin, Constantine V.; Lichitsky, Boris V.; Migulin, Vasily A.","UV-assisted rearrangement of substituted 3-arylaminopyrazoles with an allomaltol fragment into tricyclic cyclopenta[4,5]pyrrolo[2,3-<i>c</i>]pyrazole derivatives.","Organic & biomolecular chemistry","2025","23","28","6738","6744","10.1039/d5ob00796h","","x-ray","1.54184","CuKα","","0.0373","0.036","","","0.0964","0.0975","","","","","","1.101","","","","has coordinates","301640","2025-08-05","22:31:15",""
"7160619","8.2074","0.00006","8.8393","0.00008","17.27472","0.00017","97.5406","0.0008","97.5177","0.0007","94.5922","0.0007","1225.68","0.019","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 N3 O4 S3 -","- C22 H29 N3 O4 S3 -","- C44 H58 N6 O8 S6 -","2","1","","Ermolaev, Valery P.; Ratmanova, Nina K.; Baranov, Vladimir V.; Levina, Irina I.; Khrustalev, Victor N.; Ivanova, Olga A.; Kravchenko, Angelina N.; Trushkov, Igor V.; Andreev, Ivan A.","Multi-purpose thiocyanate protic ionic liquids in chemodivergent transformations of imidazolidin-2-(thi)one-based diols.","Organic & biomolecular chemistry","2025","23","30","7157","7164","10.1039/d5ob00709g","","x-ray","1.54184","CuKα","","0.0306","0.0302","","","0.0772","0.0775","","","","","","1.029","","","","has coordinates,has disorder","301643","2025-08-05","22:32:32",""
"7160620","6.7288","0.0004","15.3912","0.0009","8.7864","0.0005","90","","96.701","0.001","90","","903.74","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 F3 N2 O3 S -","- C5 H7 F3 N2 O3 S -","- C20 H28 F12 N8 O12 S4 -","4","1","","Ermolaev, Valery P.; Ratmanova, Nina K.; Baranov, Vladimir V.; Levina, Irina I.; Khrustalev, Victor N.; Ivanova, Olga A.; Kravchenko, Angelina N.; Trushkov, Igor V.; Andreev, Ivan A.","Multi-purpose thiocyanate protic ionic liquids in chemodivergent transformations of imidazolidin-2-(thi)one-based diols.","Organic & biomolecular chemistry","2025","23","30","7157","7164","10.1039/d5ob00709g","","","0.71073","MoKα","","0.0425","0.04","","","0.097","0.0988","","","","","","1.032","","","","has coordinates","301643","2025-08-05","22:32:32",""
"7160621","8.1644","0.0003","9.0953","0.0004","13.4123","0.0007","72.506","0.004","77.901","0.004","83.548","0.003","927.5","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N3 O S2 -","- C20 H21 N3 O S2 -","- C40 H42 N6 O2 S4 -","2","1","","Ermolaev, Valery P.; Ratmanova, Nina K.; Baranov, Vladimir V.; Levina, Irina I.; Khrustalev, Victor N.; Ivanova, Olga A.; Kravchenko, Angelina N.; Trushkov, Igor V.; Andreev, Ivan A.","Multi-purpose thiocyanate protic ionic liquids in chemodivergent transformations of imidazolidin-2-(thi)one-based diols.","Organic & biomolecular chemistry","2025","23","30","7157","7164","10.1039/d5ob00709g","","x-ray","1.54184","CuKα","","0.0316","0.031","","","0.0798","0.0802","","","","","","1.082","","","","has coordinates","301643","2025-08-05","22:32:32",""
"7160622","8.7891","0.0001","10.3473","0.0001","21.3735","0.0002","90","","93.351","0.001","90","","1940.46","0.03","99.9","0.2","99.9","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N3 O4 S -","- C20 H21 N3 O4 S -","- C80 H84 N12 O16 S4 -","4","1","","Ermolaev, Valery P.; Ratmanova, Nina K.; Baranov, Vladimir V.; Levina, Irina I.; Khrustalev, Victor N.; Ivanova, Olga A.; Kravchenko, Angelina N.; Trushkov, Igor V.; Andreev, Ivan A.","Multi-purpose thiocyanate protic ionic liquids in chemodivergent transformations of imidazolidin-2-(thi)one-based diols.","Organic & biomolecular chemistry","2025","23","30","7157","7164","10.1039/d5ob00709g","","x-ray","1.54184","CuKα","","0.0415","0.0408","","","0.1151","0.1158","","","","","","1.046","","","","has coordinates","301643","2025-08-05","22:32:32",""
"7160623","8.1097","0.0002","5.2299","0.0001","27.2462","0.0005","90","","91.43","0.002","90","","1155.23","0.04","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 F O3 -","- C16 H9 F O3 -","- C64 H36 F4 O12 -","4","1","","Chang, Meng-Yang; Liu, Yu-Hsuan","Selenium dioxide-mediated oxidative annulation of sulfonyl <i>o</i>-hydroxyacetophenones with acetophenones. One-pot synthesis of aurone analogs.","Organic & biomolecular chemistry","2025","23","29","6986","6991","10.1039/d5ob00989h","","x-ray","0.71073","MoKα","","0.0368","0.0327","","","0.0845","0.0876","","","","","","1.064","","","","has coordinates","301630","2025-08-05","22:28:47",""
"7160624","12.7257","0.0003","4.6906","0.0001","13.733","0.0005","90","","106.401","0.003","90","","786.38","0.04","130","2","130","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C12.67 H10.67 O4 -","- C12.6667 H10.6667 O4 -","- C38 H32 O12 -","3","1.5","","Chang, Meng-Yang; Liu, Yu-Hsuan","Selenium dioxide-mediated oxidative annulation of sulfonyl <i>o</i>-hydroxyacetophenones with acetophenones. One-pot synthesis of aurone analogs.","Organic & biomolecular chemistry","2025","23","29","6986","6991","10.1039/d5ob00989h","","x-ray","0.71073","MoKα","","0.0409","0.0388","","","0.096","0.0978","","","","","","1.065","","","","has coordinates","301630","2025-08-05","22:28:49",""
"7160625","5.3211","0.0002","8.1869","0.0002","29.8283","0.0008","90","","92.288","0.003","90","","1298.38","0.07","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O4 -","- C17 H12 O4 -","- C68 H48 O16 -","4","1","","Chang, Meng-Yang; Liu, Yu-Hsuan","Selenium dioxide-mediated oxidative annulation of sulfonyl <i>o</i>-hydroxyacetophenones with acetophenones. One-pot synthesis of aurone analogs.","Organic & biomolecular chemistry","2025","23","29","6986","6991","10.1039/d5ob00989h","","x-ray","0.71073","MoKα","","0.0527","0.0465","","","0.122","0.1252","","","","","","1.133","","","","has coordinates","301630","2025-08-05","22:28:50",""
"7160626","10.7895","0.0006","11.047","0.0006","16.5159","0.001","90","","103.671","0.006","90","","1912.79","0.19","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N2 O3 -","- C24 H19 N2 O3 -","- C96 H76 N8 O12 -","4","1","","Chang, Meng-Yang; Liu, Yu-Hsuan","Selenium dioxide-mediated oxidative annulation of sulfonyl <i>o</i>-hydroxyacetophenones with acetophenones. One-pot synthesis of aurone analogs.","Organic & biomolecular chemistry","2025","23","29","6986","6991","10.1039/d5ob00989h","","x-ray","0.71073","MoKα","","0.0956","0.0673","","","0.1631","0.1772","","","","","","1.029","","","","has coordinates","301630","2025-08-05","22:28:50",""
"7160627","3.8702","0.0006","13.0697","0.001","16.8646","0.0008","96.863","0.005","90.517","0.009","93.533","0.009","845.21","0.15","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N2 O2 -","- C23 H16 N2 O2 -","- C46 H32 N4 O4 -","2","1","","Chang, Meng-Yang; Liu, Yu-Hsuan","Selenium dioxide-mediated oxidative annulation of sulfonyl <i>o</i>-hydroxyacetophenones with acetophenones. One-pot synthesis of aurone analogs.","Organic & biomolecular chemistry","2025","23","29","6986","6991","10.1039/d5ob00989h","","x-ray","0.71073","MoKα","","0.1245","0.0975","","","0.2493","0.2751","","","","","","1.063","","","","has coordinates","301630","2025-08-05","22:28:59",""
"7160628","15.7796","0.0014","16.5721","0.0015","20.6662","0.0018","80.044","0.002","79.078","0.002","71.2037","0.0019","4986.9","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C116 H116 N8 O11.2 S2 -","- C116 H116 N8 O11.2 S2 -","- C232 H232 N16 O22.4 S4 -","2","1","","Kassir, Ahmad F.; Lupp, Daniel; Grabowski, Jakub; Granda, Jarosław M; Jurczak, Janusz","Selective recognition and sensing of biologically important phosphates using triptycene-based anion receptors.","Organic & biomolecular chemistry","2025","23","29","6969","6977","10.1039/d5ob00760g","","","0.71073","MoKα","","0.0696","0.0466","","","0.1102","0.1232","","","","","","1.021","","","","has coordinates,has disorder","301628","2025-08-05","22:28:12",""
"7160629","17.0525","0.0008","19.664","0.0009","22.12","0.0011","90","","110.679","0.0015","90","","6939.4","0.6","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C142 H214 F6 N16 O12 Si -","- C142.028 H214.042 F6 N16.004 O12.004 Si -","- C284.056 H428.084 F12 N32.008 O24.008 Si2 -","2","0.5","","Kassir, Ahmad F.; Lupp, Daniel; Grabowski, Jakub; Granda, Jarosław M; Jurczak, Janusz","Selective recognition and sensing of biologically important phosphates using triptycene-based anion receptors.","Organic & biomolecular chemistry","2025","23","29","6969","6977","10.1039/d5ob00760g","","","0.71073","MoKα","","0.1305","0.077","","","0.1938","0.2361","","","","","","1.035","","","","has coordinates,has disorder","301628","2025-08-05","22:28:14",""
"7160630","22.9592","0.0009","9.5176","0.0004","33.7688","0.0013","90","","100.575","0.002","90","","7253.7","0.5","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C90 H78 N2 O8 -","- C90 H78 N2 O8 -","- C360 H312 N8 O32 -","4","1","","Liu, Chencheng; Tong, Yao; Wang, Fenhua; Li, Qinghai","Convenient one-step construction of fused or zwitterionic indanes from tetraynes.","Organic & biomolecular chemistry","2025","23","20","4909","4916","10.1039/d5ob00370a","","","1.54178","CuKα","","0.1322","0.0656","","","0.1279","0.1518","","","","","","1.013","","","","has coordinates","300380","2025-07-06","01:16:28",""
"7160631","20.9343","0.0011","15.0713","0.0008","9.1726","0.0005","90","","93.192","0.002","90","","2889.5","0.3","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 Cl2 O6 S -","- C29 H24 Cl2 O6 S -","- C116 H96 Cl8 O24 S4 -","4","1","","Liu, Chencheng; Tong, Yao; Wang, Fenhua; Li, Qinghai","Convenient one-step construction of fused or zwitterionic indanes from tetraynes.","Organic & biomolecular chemistry","2025","23","20","4909","4916","10.1039/d5ob00370a","","","1.54178","CuKα","","0.0663","0.0567","","","0.1717","0.1786","","","","","","1.043","","","","has coordinates","300380","2025-07-06","01:16:35",""
"7160632","10.9462","0.0006","10.9462","0.0006","50.685","0.004","90","","90","","120","","5259.4","0.6","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C38 H52 O10 -","- C38 H52 O10 -","- C228 H312 O60 -","6","1","","Aguilar-Ramírez, Enrique; Rivera-Chávez, José; Miranda-Rosas, Mario Yair; Martínez-Otero, Diego","DMSO enhances the biosynthesis of epoxyquinols in <i>Pestalotiopsis</i> sp. (strain IQ-011) and yields new [4 + 2] cycloaddition dimers.","Organic & biomolecular chemistry","2025","23","18","4525","4536","10.1039/d5ob00115c","","","1.54178","CuKα","","0.1353","0.1256","","","0.2737","0.2785","","","","","","1.098","","","","has coordinates,has disorder","300381","2025-07-06","01:20:00",""
"7160633","7.0253","0.0002","7.5941","0.0002","20.2221","0.0007","90","","95.857","0.003","90","","1073.23","0.06","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30 O3 S2 -","- C22 H30 O3 S2 -","- C44 H60 O6 S4 -","2","1","","Liang, Jun-Ting; Xu, Zichen; Xie, Yong-Bin; Chen, Wen-Tao; He, Yu-Tao; Hu, Ya-Jian","Asymmetric synthesis and biological evaluation of ottensinin and its analogues.","Organic & biomolecular chemistry","2025","23","30","7120","7123","10.1039/d5ob01028d","","x-ray","1.54184","CuKα","","0.0697","0.0688","","","0.178","0.1796","","","","","","1.068","","","","has coordinates","301642","2025-08-05","22:32:23",""
"7160634","7.5383","0.0001","10.1336","0.0001","24.0107","0.0004","90","","90","","90","","1834.18","0.04","169.99","0.1","169.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","","Liang, Jun-Ting; Xu, Zichen; Xie, Yong-Bin; Chen, Wen-Tao; He, Yu-Tao; Hu, Ya-Jian","Asymmetric synthesis and biological evaluation of ottensinin and its analogues.","Organic & biomolecular chemistry","2025","23","30","7120","7123","10.1039/d5ob01028d","","x-ray","1.54184","CuKα","","0.0467","0.0437","","","0.1157","0.1184","","","","","","1.027","","","","has coordinates","301642","2025-08-05","22:32:24",""
"7160635","6.3288","0.0003","7.2917","0.0004","20.5591","0.0008","91.255","0.004","97.617","0.004","114.449","0.005","852.96","0.08","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","2","","Liang, Jun-Ting; Xu, Zichen; Xie, Yong-Bin; Chen, Wen-Tao; He, Yu-Tao; Hu, Ya-Jian","Asymmetric synthesis and biological evaluation of ottensinin and its analogues.","Organic & biomolecular chemistry","2025","23","30","7120","7123","10.1039/d5ob01028d","","","1.54184","CuKα","","0.0737","0.0683","","","0.1972","0.2063","","","","","","1.054","","","","has coordinates","301642","2025-08-05","22:32:24",""
"7160636","9.3268","0.0005","15.1541","0.0006","14.1675","0.0007","90","","108.462","0.006","90","","1899.37","0.17","130","2","130","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C23 H18 N2 O2 S -","- C23 H18 N2 O2 S -","- C92 H72 N8 O8 S4 -","4","1","","Chang, Meng-Yang; Ou, Chen-Yo","One-pot synthesis of sulfonyl 3,6-diarylpyridazines <i>via</i> tandem condensation of α-sulfonyl ketones with methyl ketones.","Organic & biomolecular chemistry","2025","23","31","7314","7319","10.1039/d5ob01051a","","x-ray","0.71073","MoKα","","0.046","0.0418","","","0.0965","0.0984","","","","","","1.012","","","","has coordinates","302757","2025-10-06","10:27:32",""
"7160637","9.3979","0.0002","11.3031","0.0003","12.3737","0.0003","114.887","0.003","109.317","0.002","92.845","0.002","1097.5","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O2 S -","- C28 H20 N2 O2 S -","- C56 H40 N4 O4 S2 -","2","1","","Chang, Meng-Yang; Ou, Chen-Yo","One-pot synthesis of sulfonyl 3,6-diarylpyridazines <i>via</i> tandem condensation of α-sulfonyl ketones with methyl ketones.","Organic & biomolecular chemistry","2025","23","31","7314","7319","10.1039/d5ob01051a","","x-ray","0.71073","MoKα","","0.0401","0.0343","","","0.0871","0.0898","","","","","","1.081","","","","has coordinates","302757","2025-10-06","10:27:32",""
"7160638","11.1986","0.0002","7.4553","0.0001","21.8767","0.0003","90","","92.888","0.002","90","","1824.14","0.05","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N4 O -","- C24 H18 N4 O -","- C96 H72 N16 O4 -","4","1","","Chang, Meng-Yang; Ou, Chen-Yo","One-pot synthesis of sulfonyl 3,6-diarylpyridazines <i>via</i> tandem condensation of α-sulfonyl ketones with methyl ketones.","Organic & biomolecular chemistry","2025","23","31","7314","7319","10.1039/d5ob01051a","","x-ray","0.71073","MoKα","","0.0441","0.0384","","","0.0964","0.0997","","","","","","1.097","","","","has coordinates","302757","2025-10-06","10:27:32",""
"7160639","9.7238","0.0002","10.1366","0.0002","11.2215","0.0003","71.447","0.002","86.43","0.002","80.166","0.002","1033.13","0.04","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H15 Cl2 F N2 O2 S -","- C23 H15 Cl2 F N2 O2 S -","- C46 H30 Cl4 F2 N4 O4 S2 -","2","1","","Chang, Meng-Yang; Ou, Chen-Yo","One-pot synthesis of sulfonyl 3,6-diarylpyridazines <i>via</i> tandem condensation of α-sulfonyl ketones with methyl ketones.","Organic & biomolecular chemistry","2025","23","31","7314","7319","10.1039/d5ob01051a","","x-ray","0.71073","MoKα","","0.0346","0.0303","","","0.0783","0.0803","","","","","","1.06","","","","has coordinates","302757","2025-10-06","10:27:32",""
"7160640","5.523","0.0002","9.1066","0.0004","9.1781","0.0004","105.551","0.004","94.197","0.004","100.884","0.004","432.96","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1","P 1","1","","","","- C22 H17 N5 -","- C22 H17 N5 -","- C22 H17 N5 -","1","1","","Zhang, Hui; Tian, Lifang; Li, Qinying; Zheng, Hanwen; Dai, Yuting; Li, Jiawei; Liu, Guanglu; Zhu, Li-Li; Wang, Yahui","N<sup>2</sup>-site-selective cross-couplings of tetrazoles with indoles.","Organic & biomolecular chemistry","2025","23","31","7270","7274","10.1039/d5ob00914f","","x-ray","1.54184","CuKα","","0.0294","0.0291","","","0.075","0.0753","","","","","","1.065","","","","has coordinates","302756","2025-10-06","10:27:22",""
"7160641","8.3651","0.0008","13.6367","0.0013","25.424","0.003","90","","90","","90","","2900.2","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N O P -","- C36 H32 N O P -","- C144 H128 N4 O4 P4 -","4","1","","Watanabe, Kohei; Toba, Yuto; Mita, Shimpei; Kanda, Yusuke; Yagi, Toru; Kanauchi, Kento; Kumada, Manami; Yoshida, Yasushi; Kasashima, Yoshio; Takita, Ryo; Sakamoto, Masami; Mino, Takashi","Stereoinversion in Pd-catalyzed allylic substitution induced by modification of olefinic moiety in chiral phosphine-acrylamide ligands.","Organic & biomolecular chemistry","2025","23","32","7431","7438","10.1039/d5ob01034a","","","0.71073","MoKα","","0.0459","0.0361","","","0.0793","0.0861","","","","","","1.014","","","","has coordinates","302750","2025-10-06","10:25:11",""
"7160642","8.631","0.003","11.371","0.004","29.685","0.011","90","","90","","90","","2913.4","1.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N O P -","- C36 H32 N O P -","- C144 H128 N4 O4 P4 -","4","1","","Watanabe, Kohei; Toba, Yuto; Mita, Shimpei; Kanda, Yusuke; Yagi, Toru; Kanauchi, Kento; Kumada, Manami; Yoshida, Yasushi; Kasashima, Yoshio; Takita, Ryo; Sakamoto, Masami; Mino, Takashi","Stereoinversion in Pd-catalyzed allylic substitution induced by modification of olefinic moiety in chiral phosphine-acrylamide ligands.","Organic & biomolecular chemistry","2025","23","32","7431","7438","10.1039/d5ob01034a","","","0.71073","MoKα","","0.1559","0.0846","","","0.1943","0.233","","","","","","1.041","","","","has coordinates,has disorder","302750","2025-10-06","10:25:13",""
"7160643","8.8268","0.0008","16.7704","0.0015","17.9763","0.0017","90","","90","","90","","2661","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N O P -","- C32 H32 N O P -","- C128 H128 N4 O4 P4 -","4","1","","Watanabe, Kohei; Toba, Yuto; Mita, Shimpei; Kanda, Yusuke; Yagi, Toru; Kanauchi, Kento; Kumada, Manami; Yoshida, Yasushi; Kasashima, Yoshio; Takita, Ryo; Sakamoto, Masami; Mino, Takashi","Stereoinversion in Pd-catalyzed allylic substitution induced by modification of olefinic moiety in chiral phosphine-acrylamide ligands.","Organic & biomolecular chemistry","2025","23","32","7431","7438","10.1039/d5ob01034a","","","1.54178","CuKα","","0.0337","0.0334","","","0.0902","0.0911","","","","","","0.736","","","","has coordinates","302750","2025-10-06","10:25:14",""
"7160644","11.6746","0.0006","11.1003","0.0006","13.6168","0.0007","90","","99.287","0.002","90","","1741.49","0.16","278","2","278","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N4 O -","- C20 H22 N4 O -","- C80 H88 N16 O4 -","4","1","","Hajra, Arun Kumar; Ghosh, Prasanjit; Roy, Chandreyee; Kundu, Mrinalkanti; Das, Sajal","Site-selective C(sp<sup>3</sup>)-H amination of (het)aryl acetic acid derivatives under copper(II) catalysis.","Organic & biomolecular chemistry","2025","23","31","7345","7355","10.1039/d5ob00787a","","","0.71073","MoKα","","0.0666","0.0492","","","0.1403","0.1605","","","","","","1.12","","","","has coordinates","302755","2025-10-06","10:27:11",""
"7160645","9.2353","0.0007","13.3183","0.001","22.429","0.0016","90","","100.025","0.002","90","","2716.6","0.3","299","","299","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H30 Cl2 N2 O3 -","- C29 H30 Cl2 N2 O3 -","- C116 H120 Cl8 N8 O12 -","4","2","","Murthi, Nandha Kumar; Nulakani, Naga Venkateswara Rao; Akbar Ali, Mohamad; Kundu, Tanay; Gopinath, Pushparathinam","Regioselective (3 + 2) cycloaddition reactions of zerumbone: synthesis of isoxazolines and spiro-pyrrolizidino-oxindoles, conformational diversity and theoretical insights.","Organic & biomolecular chemistry","2025","23","35","7956","7961","10.1039/d5ob00840a","","","0.71073","MoKα","","0.1356","0.0498","","","0.099","0.1464","","","","","","1.1443","","","","has coordinates","302769","2025-10-06","10:31:16",""
"7160646","9.343","0.002","13.457","0.003","22.54","0.005","84.172","0.01","79.375","0.008","89.555","0.009","2770.8","1.1","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 Br2 N2 O3 -","- C29 H30 Br2 N2 O3 -","- C116 H120 Br8 N8 O12 -","4","2","","Murthi, Nandha Kumar; Nulakani, Naga Venkateswara Rao; Akbar Ali, Mohamad; Kundu, Tanay; Gopinath, Pushparathinam","Regioselective (3 + 2) cycloaddition reactions of zerumbone: synthesis of isoxazolines and spiro-pyrrolizidino-oxindoles, conformational diversity and theoretical insights.","Organic & biomolecular chemistry","2025","23","35","7956","7961","10.1039/d5ob00840a","","","0.71073","MoKα","","0.1101","0.0559","","","0.1081","0.1229","","","","","","1.0432","","","","has coordinates","302769","2025-10-06","10:31:17",""
"7160647","10.1096","0.0018","9.5621","0.0019","23.618","0.005","90","","94.613","0.007","90","","2275.7","0.8","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 N2 O2 -","- C27 H34 N2 O2 -","- C108 H136 N8 O8 -","4","1","","Murthi, Nandha Kumar; Nulakani, Naga Venkateswara Rao; Akbar Ali, Mohamad; Kundu, Tanay; Gopinath, Pushparathinam","Regioselective (3 + 2) cycloaddition reactions of zerumbone: synthesis of isoxazolines and spiro-pyrrolizidino-oxindoles, conformational diversity and theoretical insights.","Organic & biomolecular chemistry","2025","23","35","7956","7961","10.1039/d5ob00840a","","","0.71073","MoKα","","0.1155","0.1012","","","0.2735","0.2979","","","","","","1.2831","","","","has coordinates","302769","2025-10-06","10:31:17",""
"7160648","8.6648","0.0003","21.5471","0.0007","10.7458","0.0003","90","","109.576","0.001","90","","1890.29","0.1","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C88 H108 N4 O8 -","4","1","","Murthi, Nandha Kumar; Nulakani, Naga Venkateswara Rao; Akbar Ali, Mohamad; Kundu, Tanay; Gopinath, Pushparathinam","Regioselective (3 + 2) cycloaddition reactions of zerumbone: synthesis of isoxazolines and spiro-pyrrolizidino-oxindoles, conformational diversity and theoretical insights.","Organic & biomolecular chemistry","2025","23","35","7956","7961","10.1039/d5ob00840a","","","0.71073","MoKα","","0.0854","0.0673","","","0.1397","0.1504","","","","","","1.0835","","","","has coordinates","302769","2025-10-06","10:31:17",""
"7160649","7.158","0.005","8.464","0.007","19.143","0.015","81.94","0.02","79.89","0.02","88.02","0.02","1130.4","1.5","120","","120","","","","","","","","","6","P -1","-P 1","2","","organic","","- C24 H22 Cl N2 O2 S -","- C24 H21 Cl N2 O2 S -","- C48 H42 Cl2 N4 O4 S2 -","2","1","","Gou, Yan; Hou, Shanling; Fu, Qingyi; Fan, Zhi; Li, Yuming","Diastereoselective synthesis of spiro[cyclopropane-1,3'-indolin]-2'-imines <i>via</i> a sequential [1 + 2] annulation reaction of indolin-2-imines with α-aryl vinylsulfonium salts.","Organic & biomolecular chemistry","2025","23","32","7415","7419","10.1039/d5ob01012h","","","0.71073","MoKα","","0.1555","0.0868","","","0.1857","0.2269","","","","","","1.031","","","","has coordinates","302751","2025-10-06","10:25:23",""
"7160650","7.4939","0.0002","12.5591","0.0006","14.7813","0.0006","90","","103.142","0.002","90","","1354.73","0.09","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Cl N4 Se -","- C11 H13 Cl N4 Se -","- C44 H52 Cl4 N16 Se4 -","4","1","","Wang, Ruizong; Song, Bin; Zhao, Feng; Gao, Pengxiang; Hu, Bingcheng; Zhang, Chong","The direct synthesis of 5-selenotetrazoles <i>via</i> an electrochemical three-component reaction between isonitriles, diselenides and TMSN<sub>3</sub>.","Organic & biomolecular chemistry","2025","23","33","7588","7592","10.1039/d5ob00893j","","","1.54178","CuKα","","0.0966","0.0777","","","0.1865","0.1997","","","","","","1.042","","","","has coordinates,has disorder","302752","2025-10-06","10:25:35",""
"7160651","12.891","0.0006","8.2439","0.0003","21.5146","0.001","90","","93.477","0.002","90","","2282.19","0.17","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N3 O2 S -","- C26 H25 N3 O2 S -","- C104 H100 N12 O8 S4 -","4","1","","Hu, Song; Hu, Dan; Xu, Jianming; Wang, Jian; Yin, Heng; Xie, Ying; Li, Yulong; Li, Chenyi","Diastereoselective construction of structurally diverse polycyclic spiroindolenines <i>via</i> Yb(OTf)<sub>3</sub>-catalyzed cascade [1,5]-hydride transfer/cyclization.","Organic & biomolecular chemistry","2025","23","33","7633","7637","10.1039/d5ob01005e","","","0.71073","MoKα","","0.069","0.0529","","","0.1511","0.1636","","","","","","1.026","","","","has coordinates,has disorder","302753","2025-10-06","10:26:08",""
"7160652","12.9831","0.0009","7.4371","0.0005","16.6855","0.0012","90","","101.025","0.002","90","","1581.36","0.19","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Sikdar, Papiya; Das, Sourav; Saini, Sheetal; Sawant, Sanghapal D.; Bagdi, Avik Kumar","Divergent synthesis of 3-formylpyrazolo[1,5-<i>a</i>]pyrimidines and methylene-bridged bis(pyrazolo[1,5-<i>a</i>]pyrimidines) using DMSO as a single carbon synthon.","Organic & biomolecular chemistry","2025","23","33","7566","7570","10.1039/d5ob01042j","","","0.71073","MoKα","","0.1068","0.0684","","","0.1221","0.1426","","","","","","1.135","","","","has coordinates","302754","2025-10-06","10:26:24",""
"7160653","10.234","0.007","11.182","0.007","15.852","0.009","90","","90","","90","","1814","2","150","2","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C72 H84 N4 O12 S4 -","4","1","","Liu, Qingsong; Jiri, Gele; She, Xingyao; Zhao, Zhigang; Li, Xiaoxiao","TCCA/PhSH-mediated regioselective hydroethoxylation and hydromethoxylation of allenamides <i>via</i> a radical process.","Organic & biomolecular chemistry","2025","23","35","7969","7974","10.1039/d5ob00698h","","","0.71073","MoKα","","0.0635","0.0498","","","0.1257","0.1362","","","","","","1.055","","","","has coordinates,has disorder","302770","2025-10-06","10:31:32",""
"7160654","16.883","0.0006","7.0571","0.0002","24.4179","0.0008","90","","94.618","0.001","90","","2899.83","0.16","273.15","","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O3 -","- C19 H12 O3 -","- C152 H96 O24 -","8","2","","Ahmad, Mudassir; Rather, Gowhar Ahmad; Rashid Tarray, Amir; Lone, Waseem I.; Rashid, Showkat","NaIO<sub>4</sub>-driven oxidative dimerization and Cu(I)-catalyzed oxidative decarbonylation: modular synthesis of 1,2-naphthoquinones and aryl naphtho[2,<i>b</i>]furans.","Organic & biomolecular chemistry","2025","23","34","7724","7730","10.1039/d5ob01064k","","","0.71073","MoKα","","0.0731","0.0483","","","0.1064","0.1228","","","","","","1.044","","","","has coordinates","302780","2025-10-06","10:34:01",""
"7160655","9.1512","0.0008","13.1236","0.0012","10.5647","0.0008","90","","95.67","0.002","90","","1262.58","0.19","191","2","191","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O S -","- C13 H17 N O S -","- C52 H68 N4 O4 S4 -","4","1","","Mondal, Sudip; Sarkar, Subhankar; Mukherjee, Anindita; Santra, Sougata; Zyryanov, Grigory V.; Majee, Adinath","Synthesis of α-keto thioamides <i>via</i> oxidative thioamidation of α-amino carbonyls using hypervalent iodine under neat conditions.","Organic & biomolecular chemistry","2025","23","30","7152","7156","10.1039/d5ob00922g","","","0.71073","MoKα","","0.0794","0.0491","","","0.1563","0.1883","","","","","","1.266","","","","has coordinates","301466","2025-08-05","07:34:45",""
"7160656","11.4255","0.0017","14.326","0.002","27.2","0.004","90","","95.047","0.009","90","","4434.9","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H45 N O6 -","- C29 H45 N O6 -","- C174 H270 N6 O36 -","6","3","","Paipuri, Siva Ramakrishna; Nayak, Padyabharati; Raman, Resmi Kattukaran; Andugulapati, Sai Balaji; Pabbaraja, Srihari","Stereoselective total synthesis of cytotoxic cyclodepsipeptide menominin B: call for revision of the proposed structure.","Organic & biomolecular chemistry","2025","23","30","7115","7119","10.1039/d5ob01067e","","","1.54184","CuKα","","0.1416","0.0979","","","0.2499","0.3105","","","","","","0.992","","","","has coordinates,has disorder","301467","2025-08-05","07:35:30",""
"7160657","10.024","0.002","20.33","0.004","11.444","0.002","90","","104.69","0.03","90","","2255.9","0.8","290","","290","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 -","- C30 H22 N2 -","- C120 H88 N8 -","4","1","","Mohaghegh, Farid; Jafarpour, Farnaz","Copper-catalyzed synthesis of polysubstituted benzimidazoles: an efficient one-pot synthetic approach to <i>N</i>-enylated benzimidazoles.","Organic & biomolecular chemistry","2025","23","34","7742","7745","10.1039/d5ob00418g","","x-ray","0.71073","MoKα","","0.0726","0.0642","","","0.1718","0.1816","","","","","","1.099","","","","has coordinates","302784","2025-10-06","10:35:08",""
"7160658","16.4168","0.0007","24.6211","0.0009","25.3326","0.0006","98.772","0.002","93.648","0.003","97.939","0.003","9985.1","0.6","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C142 H158 Cl0.5 N27 O21 Zn2 -","- C182 H246 Cl3 N13 O28 Zn2 -","- C364 H492 Cl6 N26 O56 Zn4 -","2","1","","Lepeintre, Martin; Višnjevac, Aleksandar; Jabin, Ivan; Colasson, Benoit","Interplay between molecular recognition and acid-base reactivity in tailored metal-based calix[6]arene receptors.","Organic & biomolecular chemistry","2025","23","35","8012","8022","10.1039/d5ob01099c","","x-ray","1.54184","CuKα","","0.136","0.0779","","","0.1971","0.2321","","","","","","0.987","","","","has coordinates,has disorder","302774","2025-10-06","10:32:58",""
"7160659","26.685","0.005","39.811","0.008","24.924","0.005","90","","90","","90","","26478","9","100","","100","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C236 H224 Cl4 N28 O40 Zn4 -","- C236 H224 Cl4 N28 O40 Zn4 -","- C944 H896 Cl16 N112 O160 Zn16 -","4","0.25","","Lepeintre, Martin; Višnjevac, Aleksandar; Jabin, Ivan; Colasson, Benoit","Interplay between molecular recognition and acid-base reactivity in tailored metal-based calix[6]arene receptors.","Organic & biomolecular chemistry","2025","23","35","8012","8022","10.1039/d5ob01099c","","","0.61994","synchrotron","","0.1194","0.1025","","","0.3304","0.3577","","","","","","1.452","","","","has coordinates,has disorder","302774","2025-10-06","10:32:58",""
"7160660","13.22765","0.00011","14.15549","0.0001","17.8287","0.00014","85.7263","0.0006","81.2491","0.0007","86.7523","0.0006","3286.8","0.04","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H63 Cl2 N9 O14 Zn -","- C63 H63 Cl2 N9 O14 Zn -","- C126 H126 Cl4 N18 O28 Zn2 -","2","1","","Lepeintre, Martin; Višnjevac, Aleksandar; Jabin, Ivan; Colasson, Benoit","Interplay between molecular recognition and acid-base reactivity in tailored metal-based calix[6]arene receptors.","Organic & biomolecular chemistry","2025","23","35","8012","8022","10.1039/d5ob01099c","","x-ray","1.54184","CuKα","","0.059","0.0539","","","0.1396","0.1439","","","","","","1.0269","","","","has coordinates","302774","2025-10-06","10:32:58",""
"7160661","12.1437","0.0007","13.1023","0.0008","13.9203","0.0008","90","","106.002","0.002","90","","2129","0.2","223","2","223.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","JB-20220705","","","- C23 H27 Br N4 -","- C23 H27 Br N4 -","- C92 H108 Br4 N16 -","4","1","","Lu, Qi; Rajendran, Natesan Mannangatti; Bouffard, Jean","Transposed N-heterocyclic olefins from the reaction of Eschenmoser hydrazones with N-heterocyclic carbenes.","Organic & biomolecular chemistry","2025","23","34","7746","7751","10.1039/d5ob00846h","","","0.71073","MoKα","","0.0366","0.0288","","","0.0705","0.0733","","","","","","1.051","","","","has coordinates","302778","2025-10-06","10:33:35",""
"7160662","12.8697","0.0002","8.423","0.0001","22.9132","0.0003","90","","100.955","0.001","90","","2438.56","0.06","100","0.1","100","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(±)-methyl (3aR,6R,6aS,10aS)-3a-hydroxy-1-oxooctahydro-1H-benzo[d]furo[3,4-c][1,2]dioxine-6-carboxylate","","- C12 H16 O7 -","- C12 H16 O7 -","- C96 H128 O56 -","8","1","","Rahimi, Najmeh; Sehrish, Saba; Akompong, Samuel K.; Barnes, Bayler G.; Windorff, Cory J.; Talipov, Marat R.; Tello-Aburto, Rodolfo","Annulative endoperoxidation of tetronates.","Organic & biomolecular chemistry","2025","23","34","7719","7723","10.1039/d5ob00663e","","x-ray","1.54184","CuKα","","0.0342","0.0303","","","0.0754","0.0781","","","","","","1.038","","","","has coordinates","302786","2025-10-06","10:35:33",""
"7160663","10.4041","0.0002","8.73516","0.00016","12.8916","0.0003","90","","90.9965","0.0018","90","","1171.43","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(±)-methyl (3aR,5R,5aS,9aS)-3a-hydroxy-1-oxooctahydro-1H-furo[3,4-c]isobenzofuran-5-carboxylate","","- C12 H16 O6 -","- C12 H16 O6 -","- C48 H64 O24 -","4","1","","Rahimi, Najmeh; Sehrish, Saba; Akompong, Samuel K.; Barnes, Bayler G.; Windorff, Cory J.; Talipov, Marat R.; Tello-Aburto, Rodolfo","Annulative endoperoxidation of tetronates.","Organic & biomolecular chemistry","2025","23","34","7719","7723","10.1039/d5ob00663e","","x-ray","1.54184","CuKα","","0.0428","0.0368","","","0.0958","0.1004","","","","","","1.052","","","","has coordinates","302786","2025-10-06","10:35:34",""
"7160664","9.9717","0.0004","8.9531","0.0003","11.4158","0.0004","90","","107.398","0.004","90","","972.55","0.06","120.3","0.4","120.3","0.4","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(3aR,6aS,10aS)-3a-hydroxyoctahydro-1H-benzo[d]furo[3,4-c][1,2]dioxin-1-one","","- C10 H14 O5 -","- C10 H14 O5 -","- C40 H56 O20 -","4","1","","Rahimi, Najmeh; Sehrish, Saba; Akompong, Samuel K.; Barnes, Bayler G.; Windorff, Cory J.; Talipov, Marat R.; Tello-Aburto, Rodolfo","Annulative endoperoxidation of tetronates.","Organic & biomolecular chemistry","2025","23","34","7719","7723","10.1039/d5ob00663e","","x-ray","1.54184","CuKα","","0.0617","0.0543","","","0.1524","0.158","","","","","","1.092","","","","has coordinates","302786","2025-10-06","10:35:34",""
"7160665","18.0532","0.0005","18.0532","0.0005","6.4334","0.0002","90","","90","","90","","2096.76","0.1","150","0.1","150","0.1","","","","","","","","3","P 41","P 4w","76","","","","- C23 H34 O5 -","- C23 H34 O5 -","- C92 H136 O20 -","4","1","","Yang, Ziyi; Pan, Xingming; Deng, Lianchun; Wang, Zengyuan; Li, Fang-Ru; Lin, Xiaoxu; Xu, Hui-Min; Dong, Liao-Bin","Genome mining reveals a highly oxidized bacterial perhydrophenanthrene meroterpenoid smelanic acid.","Organic & biomolecular chemistry","2025","23","34","7773","7779","10.1039/d5ob01195g","","x-ray","1.54184","CuKα","","0.0732","0.0612","","","0.1472","0.1534","","","","","","1.11","","","","has coordinates","302785","2025-10-06","10:35:20",""
"7160666","9.1153","0.0013","13.8051","0.0016","16.4582","0.0019","90","","104.766","0.005","90","","2002.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O S -","- C24 H20 N2 O S -","- C96 H80 N8 O4 S4 -","4","1","","Singh, Gargi; Arockiaraj, Mariyaraj; Rajeshkumar, Venkatachalam","Iodine-mediated synthesis of indole-fused benzothiazepinones through intramolecular C2-amidation of amide-tethered C3-sulfenylindoles.","Organic & biomolecular chemistry","2025","23","34","7766","7772","10.1039/d5ob00842e","","","0.71073","MoKα","","0.0909","0.059","","","0.1678","0.2175","","","","","","0.592","","","","has coordinates","302781","2025-10-06","10:34:09",""
"7160667","9.4021","0.0002","7.8907","0.0001","36.9561","0.0007","90","","92.616","0.002","90","","2738.88","0.09","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 O5 S2 -","- C31 H32 O5 S2 -","- C124 H128 O20 S8 -","4","1","","Chang, Meng-Yang; Ho, Chin-Huey","One-pot synthesis of sulfonyl benzotropones.","Organic & biomolecular chemistry","2025","23","34","7780","7785","10.1039/d5ob01123j","","x-ray","0.71073","MoKα","","0.0714","0.0648","","","0.1597","0.1631","","","","","","1.106","","","","has coordinates,has disorder","302782","2025-10-06","10:34:34",""
"7160668","13.5989","0.0003","7.2926","0.0002","13.6091","0.0003","90","","94.811","0.002","90","","1344.88","0.06","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C68 H48 O12 S4 -","4","1","","Chang, Meng-Yang; Ho, Chin-Huey","One-pot synthesis of sulfonyl benzotropones.","Organic & biomolecular chemistry","2025","23","34","7780","7785","10.1039/d5ob01123j","","x-ray","0.71073","MoKα","","0.0391","0.0364","","","0.0975","0.0997","","","","","","1.043","","","","has coordinates","302782","2025-10-06","10:34:34",""
"7160669","11.1705","0.0003","12.7063","0.0003","14.9419","0.0004","90","","102.284","0.002","90","","2072.23","0.09","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 O5 S2 -","- C23 H22 O5 S2 -","- C92 H88 O20 S8 -","4","1","","Chang, Meng-Yang; Ho, Chin-Huey","One-pot synthesis of sulfonyl benzotropones.","Organic & biomolecular chemistry","2025","23","34","7780","7785","10.1039/d5ob01123j","","x-ray","0.71073","MoKα","","0.0407","0.037","","","0.1019","0.1047","","","","","","1.073","","","","has coordinates","302782","2025-10-06","10:34:34",""
"7160670","11.3356","0.0003","11.7574","0.0003","19.2696","0.0005","90","","90","","90","","2568.2","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 O7 S2 -","- C29 H24 O7 S2 -","- C116 H96 O28 S8 -","4","1","","Chang, Meng-Yang; Ho, Chin-Huey","One-pot synthesis of sulfonyl benzotropones.","Organic & biomolecular chemistry","2025","23","34","7780","7785","10.1039/d5ob01123j","","x-ray","0.71073","MoKα","","0.047","0.0421","","","0.1102","0.1132","","","","","","1.038","","","","has coordinates","302782","2025-10-06","10:34:34",""
"7160671","5.3945","0.0001","35.2609","0.0006","14.1439","0.0002","90","","100.071","0.001","90","","2648.93","0.08","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H14 F6 O5 S2 -","- C25 H14 F6 O5 S2 -","- C100 H56 F24 O20 S8 -","4","1","","Chang, Meng-Yang; Ho, Chin-Huey","One-pot synthesis of sulfonyl benzotropones.","Organic & biomolecular chemistry","2025","23","34","7780","7785","10.1039/d5ob01123j","","x-ray","0.71073","MoKα","","0.0856","0.0809","","","0.2155","0.2191","","","","","","1.036","","","","has coordinates,has disorder","302782","2025-10-06","10:34:34",""
"7160672","8.273","0.0002","11.156","0.0002","14.9832","0.0003","73.191","0.002","78.841","0.002","72.236","0.002","1252.22","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11.2 H9.6 O2.8 S0.8 -","- C11.2 H9.6 O2.8 S0.8 -","- C56 H48 O14 S4 -","5","2.5","","Chang, Meng-Yang; Ho, Chin-Huey","One-pot synthesis of sulfonyl benzotropones.","Organic & biomolecular chemistry","2025","23","34","7780","7785","10.1039/d5ob01123j","","","0.71073","MoKα","","0.0391","0.0346","","","0.092","0.095","","","","","","1.089","","","","has coordinates","302782","2025-10-06","10:34:34",""
"7160673","9.2954","0.0002","12.1523","0.0002","14.4951","0.0003","108.412","0.002","97.946","0.002","92.222","0.002","1532.71","0.06","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H28 O7 S2 -","- C38 H28 O7 S2 -","- C76 H56 O14 S4 -","2","1","","Chang, Meng-Yang; Ho, Chin-Huey","One-pot synthesis of sulfonyl benzotropones.","Organic & biomolecular chemistry","2025","23","34","7780","7785","10.1039/d5ob01123j","","x-ray","0.71073","MoKα","","0.0464","0.0385","","","0.0997","0.1046","","","","","","1.062","","","","has coordinates","302782","2025-10-06","10:34:34",""
"7160674","24.4096","0.0004","10.7429","0.0001","19.3018","0.0002","90","","96.039","0.001","90","","5033.42","0.11","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 O5 S2 -","- C30 H22 O5 S2 -","- C240 H176 O40 S16 -","8","1","","Chang, Meng-Yang; Ho, Chin-Huey","One-pot synthesis of sulfonyl benzotropones.","Organic & biomolecular chemistry","2025","23","34","7780","7785","10.1039/d5ob01123j","","x-ray","0.71073","MoKα","","0.066","0.0624","","","0.1809","0.1851","","","","","","1.065","","","","has coordinates","302782","2025-10-06","10:34:34",""
"7160675","8.3934","0.0002","16.6786","0.0004","20.8064","0.0007","90","","90","","90","","2912.69","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 N2 O3 P -","- C32 H33 N2 O3 P -","- C128 H132 N8 O12 P4 -","4","1","","Cheng, Guo; Lu, Sen; Yu, Jing-Liang; Zhang, Qian-Mao; Wang, Li-Xin","The design and preparation of novel imidazolinone-backbone chiral N,P ligands and their highly effective performances in enantioselective allylations.","Organic & biomolecular chemistry","2025","23","37","8474","8478","10.1039/d5ob01102g","","x-ray","1.54184","CuKα","","0.0534","0.0445","","","0.1113","0.1205","","","","","","1.042","","","","has coordinates","302743","2025-10-06","10:23:49",""
"7160676","33.7911","0.0009","33.7911","0.0009","7.3889","0.0002","90","","90","","120","","7306.6","0.3","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C16 H11 Br N2 O Se -","- C16 H11 Br N2 O Se -","- C288 H198 Br18 N36 O18 Se18 -","18","1","","Yuan, Fei; Xin, Yi-Yuan; Yuan, Cai-Feng; Chen, Zhuo; Qin, Tong-Ling; Hu, Wen-Xia; Duan, Jia-Huan; Tang, E.","NBS-mediated <i>C</i>-selenocyanation/cyclization of enaminones with KSeCN: a mild and efficient synthesis of 2-aminoselenazoles.","Organic & biomolecular chemistry","2025","23","35","7975","7983","10.1039/d5ob00928f","","","0.71073","MoKα","","0.0489","0.0342","","","0.1119","0.1286","","","","","","0.964","","","","has coordinates","302772","2025-10-06","10:32:11",""
"7160677","9.838","0.0002","20.1962","0.0005","26.7858","0.0007","90","","90","","90","","5322.1","0.2","297","","297","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H35 Cl N2 O2 -","- C27 H35 Cl N2 O2 -","- C216 H280 Cl8 N16 O16 -","8","1","","Wang, Yu-Ting; Zou, Xiao; Xu, Peng-Cheng; Chen, Dai-Xiang; Zhang, Yue; Yan, Sheng-Hu; Zuo, Hang-Dong","Photocatalytic remote alkenylation of hydroxamides with enamides: synthesis of trisubstituted enamides <i>via</i> a radical pathway.","Organic & biomolecular chemistry","2025","23","35","7914","7918","10.1039/d5ob01116g","","","1.54178","CuKα","","0.1698","0.1427","","","0.3151","0.3431","","","","","","1.119","","","","has coordinates,has disorder","302771","2025-10-06","10:32:02",""
"7160678","12.1766","0.0007","15.8845","0.0008","21.0428","0.0012","78.814","0.002","77.092","0.002","67.6536","0.0019","3642.4","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H84 N8 O2 -","- C92 H84 N8 O2 -","- C184 H168 N16 O4 -","2","1","","Sequeira, Steve O.; Diaz-Rodriguez, Roberto M; Atansi, Mmasinachi; Hilborn, James W.; Alkaş, Adil; Gapare, Rosinah Liandrah; Dearden, Madeleine; Sullivan, Em C.; Brown, Emily B.; Robertson, Katherine N.; Thompson, Alison","Synthesis and properties of tetra-aryl azobispyrroles.","Organic & biomolecular chemistry","2025","23","34","7752","7758","10.1039/d5ob01104c","","","0.71073","MoKα","","0.1307","0.0689","","","0.1704","0.24","","","","","","1.164","","","","has coordinates","302779","2025-10-06","10:33:50",""
"7160679","11.3441","0.0008","12.4064","0.0009","14.9314","0.0011","90.66","0.003","90.394","0.003","112.63","0.003","1939.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H41 Cl3 N4 -","- C46.995 H40.995 Cl2.985 N4 -","- C93.99 H81.99 Cl5.97 N8 -","2","1","","Sequeira, Steve O.; Diaz-Rodriguez, Roberto M; Atansi, Mmasinachi; Hilborn, James W.; Alkaş, Adil; Gapare, Rosinah Liandrah; Dearden, Madeleine; Sullivan, Em C.; Brown, Emily B.; Robertson, Katherine N.; Thompson, Alison","Synthesis and properties of tetra-aryl azobispyrroles.","Organic & biomolecular chemistry","2025","23","34","7752","7758","10.1039/d5ob01104c","","","0.71073","MoKα","","0.0829","0.0635","","","0.1872","0.2113","","","","","","1.052","","","","has coordinates,has disorder","302779","2025-10-06","10:33:51",""
"7160680","32.517","0.008","32.517","0.008","8.26","0.002","90","","90","","120","","7564","3","125","2","125","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C19.11 H19.22 N2 O0.5 -","- C19.11 H19.22 N2 O0.5 -","- C343.98 H345.96 N36 O9 -","18","1","","Sequeira, Steve O.; Diaz-Rodriguez, Roberto M; Atansi, Mmasinachi; Hilborn, James W.; Alkaş, Adil; Gapare, Rosinah Liandrah; Dearden, Madeleine; Sullivan, Em C.; Brown, Emily B.; Robertson, Katherine N.; Thompson, Alison","Synthesis and properties of tetra-aryl azobispyrroles.","Organic & biomolecular chemistry","2025","23","34","7752","7758","10.1039/d5ob01104c","","","0.71073","MoKα","","0.1015","0.0685","","","0.1127","0.1236","","","","","","1.156","","","","has coordinates,has disorder","302779","2025-10-06","10:33:51",""
"7160681","31.997","0.005","31.997","0.005","7.0615","0.001","90","","90","","120","","6261","1.6","125","2","125","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C16 H10 Cl2 N2 -","- C16 H10 Cl2 N2 -","- C288 H180 Cl36 N36 -","18","1","","Sequeira, Steve O.; Diaz-Rodriguez, Roberto M; Atansi, Mmasinachi; Hilborn, James W.; Alkaş, Adil; Gapare, Rosinah Liandrah; Dearden, Madeleine; Sullivan, Em C.; Brown, Emily B.; Robertson, Katherine N.; Thompson, Alison","Synthesis and properties of tetra-aryl azobispyrroles.","Organic & biomolecular chemistry","2025","23","34","7752","7758","10.1039/d5ob01104c","","","0.71073","MoKα","","0.0329","0.0293","","","0.0769","0.0794","","","","","","1.045","","","","has coordinates","302779","2025-10-06","10:33:51",""
"7160682","5.9109","0.0002","15.2939","0.0007","17.239","0.001","90","","90","","90","","1558.42","0.13","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","","Fernandes, Rodney A.; Gorve, Dnyaneshwar A.; Ramakrishna, Gujjula V.","Protecting-group-free total syntheses of (-)-integrifolin, (+)-8-<i>epi</i>-grosheimin and (+)-grosheimin.","Organic & biomolecular chemistry","2025","23","35","8059","8062","10.1039/d5ob01078k","","x-ray","0.71073","MoKα","","0.115","0.0678","","","0.1495","0.1791","","","","","","1.048","","","","has coordinates","302773","2025-10-06","10:32:18",""
"7160683","21.023","0.0012","21.023","0.0012","6.7207","0.0006","90","","90","","120","","2572.4","0.3","150","2","150","2","","","","","","","","6","P 61","P 61","169","","","","- C15 H21 B N2 O6.17 S -","- C15 H21 B N2 O6.1667 S -","- C90 H126 B6 N12 O37.0002 S6 -","6","1","","O'Brien, Cyril J; Ospanow, Elisa; Reznikov, Karin; Soleimani, Ebrahim; Lanteigne, Martin; Tanner, Carol A.; Haltli, Bradley A.; Dmitrienko, Gary I.; Robertson, Katherine N.; Jakeman, David L.","Amino-acid derived benzazaboroles: structure and function of a new chemotype.","Organic & biomolecular chemistry","2025","23","34","7786","7792","10.1039/d5ob00948k","","","1.54178","CuKα","","0.0232","0.0231","","","0.0643","0.0643","","","","","","1.057","","","","has coordinates,has disorder","302783","2025-10-06","10:34:56",""
"7160684","11.1305","0.0018","17.689","0.002","12.4682","0.0019","90","","112.645","0.018","90","","2265.6","0.6","223.15","","223.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Br N O3 S2 -","- C21 H24 Br N O3 S2 -","- C84 H96 Br4 N4 O12 S8 -","4","1","","Ye, Weijian; Chen, Yuqi; Liu, Xiangning; Huang, Yiran; Zhang, Yuanyuan; Wan, Xiaobing","Tf<sub>2</sub>O-activated modular assembly of tetrasubstituted alkenes.","Organic & biomolecular chemistry","2025","23","36","8181","8185","10.1039/d5ob00951k","","","0.71073","MoKα","","0.1436","0.0568","","","0.1098","0.1503","","","","","","1.0382","","","","has coordinates","302763","2025-10-06","10:29:13",""
"7160685","12.2624","0.0016","10.7737","0.0017","14.804","0.003","90","","97.006","0.016","90","","1941.2","0.6","223","0.1","223","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Br N O3 S2 -","- C18 H18 Br N O3 S2 -","- C72 H72 Br4 N4 O12 S8 -","4","1","","Ye, Weijian; Chen, Yuqi; Liu, Xiangning; Huang, Yiran; Zhang, Yuanyuan; Wan, Xiaobing","Tf<sub>2</sub>O-activated modular assembly of tetrasubstituted alkenes.","Organic & biomolecular chemistry","2025","23","36","8181","8185","10.1039/d5ob00951k","","x-ray","0.71073","MoKα","","0.1342","0.0583","","","0.1445","0.2056","","","","","","0.9194","","","","has coordinates","302763","2025-10-06","10:29:14",""
"7160686","5.7599","0.0003","9.4957","0.0005","25.7505","0.0013","90","","90","","90","","1408.41","0.13","299","","299","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 F10 Se2 -","- C12 F10 Se2 -","- C48 F40 Se8 -","4","1","","Shi, Haoliang; Zhu, Yifei; Zhang, Yongqiang","F<sub>5</sub>PhSeSePhF<sub>5</sub> as a novel and versatile photosensitive reagent for the low-energy green light-induced seleno-Michael addition reaction.","Organic & biomolecular chemistry","2025","23","36","8176","8180","10.1039/d5ob01135c","","x-ray","1.54178","CuKα","","0.0292","0.0288","","","0.0692","0.0695","","","","","","1.116","","","","has coordinates","302762","2025-10-06","10:28:44",""
"7160687","8.6652","0.0005","11.695","0.0006","11.7268","0.0006","65.612","0.005","80.451","0.004","89.034","0.004","1065.59","0.11","180.05","0.1","180.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 F9 N12 O -","- C12 H17 F9 N12 O -","- C24 H34 F18 N24 O2 -","2","1","","Khomenko, Dmytro M.; Vashchenko, Oleksandr V.; Doroshchuk, Roman O.; Ivanova, Hanna V.; Raspertova, Ilona V.; Kozytskyi, Andrii V.; Hanson, George S. M.; Coxon, Christopher R.; Shova, Sergiu; Lampeka, Rostyslav D.","[3-(Trifluoromethyl)-1<i>H</i>-1,2,4-triazol-5-yl]methylamine derivatives: synthesis, ways of modification and use for peptides labeling.","Organic & biomolecular chemistry","2025","23","36","8230","8245","10.1039/d5ob01080b","","x-ray","0.71073","MoKα","","0.0988","0.0614","","","0.1195","0.1368","","","","","","1.002","","","","has coordinates","302761","2025-10-06","10:28:29",""
"7160688","10.894","0.003","12.028","0.003","9.8863","0.0018","90","","101.17","0.02","90","","1270.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 F3 N4 O2 -","- C9 H13 F3 N4 O2 -","- C36 H52 F12 N16 O8 -","4","1","","Khomenko, Dmytro M.; Vashchenko, Oleksandr V.; Doroshchuk, Roman O.; Ivanova, Hanna V.; Raspertova, Ilona V.; Kozytskyi, Andrii V.; Hanson, George S. M.; Coxon, Christopher R.; Shova, Sergiu; Lampeka, Rostyslav D.","[3-(Trifluoromethyl)-1<i>H</i>-1,2,4-triazol-5-yl]methylamine derivatives: synthesis, ways of modification and use for peptides labeling.","Organic & biomolecular chemistry","2025","23","36","8230","8245","10.1039/d5ob01080b","","","0.71073","MoKα","","0.1151","0.0694","","","0.1185","0.1366","","","","","","1.068","","","","has coordinates","302761","2025-10-06","10:28:29",""
"7160689","12.4223","0.0013","8.2374","0.0007","20.63","0.002","90","","104.515","0.004","90","","2043.6","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O4 S -","- C25 H22 O4 S -","- C100 H88 O16 S4 -","4","1","","Yang, Haiyue; Yu, Xianglin; Liu, Chang; Li, Mei; Yuan, Mingquan; Chen, Jingbo; Jin, Yi","Visible-light photoredox catalysis for vinyl sulfone construction <i>via</i> sulfoxonium ylide alkynylation.","Organic & biomolecular chemistry","2025","23","37","8404","8408","10.1039/d5ob01191d","","x-ray","0.71073","MoKα","","0.0632","0.045","","","0.0953","0.1051","","","","","","1.059","","","","has coordinates","302746","2025-10-06","10:24:16",""
"7160690","10.7758","0.0011","11.2002","0.0011","11.2071","0.0011","112.366","0.003","113.513","0.003","97.671","0.003","1080.12","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cl N O2 -","- C25 H26 Cl N O2 -","- C50 H52 Cl2 N2 O4 -","2","1","","Wang, Du; Yin, Zhilong; Feng, Xueli; Zhu, Huixuan; Gao, Fan; Li, Jiaxin; Zhang, Jingli; Yuan, Ye","Rapid construction of furan-linked bisheterocycles <i>via</i> a palladium-catalyzed domino Heck/cross-coupling reaction.","Organic & biomolecular chemistry","2025","23","36","8267","8273","10.1039/d5ob01081k","","x-ray","1.34139","GaKα","","0.0518","0.0469","","","0.1283","0.1316","","","","","","1.079","","","","has coordinates","302765","2025-10-06","10:29:32",""
"7160691","8.084","0.0006","25.4157","0.0019","10.9775","0.0008","90","","110.649","0.001","90","","2110.5","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C104 H112 O16 -","4","1","","Wang, Du; Yin, Zhilong; Feng, Xueli; Zhu, Huixuan; Gao, Fan; Li, Jiaxin; Zhang, Jingli; Yuan, Ye","Rapid construction of furan-linked bisheterocycles <i>via</i> a palladium-catalyzed domino Heck/cross-coupling reaction.","Organic & biomolecular chemistry","2025","23","36","8267","8273","10.1039/d5ob01081k","","x-ray","1.34139","Synchrotron","GaKα","0.0416","0.0409","","","0.1045","0.105","","","","","","1.046","","","","has coordinates","302765","2025-10-06","10:29:33",""
"7160692","6.37131","0.00004","22.56666","0.00017","19.24769","0.00013","90","","95.9112","0.0006","90","","2752.7","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 O4 -","- C14 H24 O4 -","- C112 H192 O32 -","8","2","","Budekhin, Roman A.; Sliguzova, Darya Yu; Fomenkov, Dmitri I.; Baranin, Sergei V.; Terent'ev, Alexander O.","Synthesis of unsymmetrical bisperoxides <i>via</i> semicarbazone ozonolysis in the presence of hydroperoxides.","Organic & biomolecular chemistry","2025","23","36","8259","8266","10.1039/d5ob01159k","","x-ray","1.54184","CuKα","","0.039","0.0372","","","0.1103","0.1117","","","","","","1.118","","","","has coordinates","302766","2025-10-06","10:29:46",""
"7160693","6.453","0.0004","22.8186","0.0015","15.7558","0.001","90","","100.102","0.003","90","","2284","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 N O3 -","- C29 H25 N O3 -","- C116 H100 N4 O12 -","4","1","","Liu, Huizhi; Zong, Jiayi; Zhang, Boxuan; Wang, JiaHao; Zheng, Guohui; Ke, Miaolin; Chen, Fener","Highly regio- and diastereoselective construction of spirocyclic compounds <i>via</i> palladium-catalyzed [3 + 2] cycloaddition of vinyl methylene cyclic carbonates with pyrrolidinones.","Organic & biomolecular chemistry","2025","23","35","7951","7955","10.1039/d5ob01194a","","","1.54178","CuKα","","0.1153","0.086","","","0.2373","0.2654","","","","","","1.093","","","","has coordinates","302775","2025-10-06","10:33:11",""
"7160694","9.5086","0.0003","6.6541","0.0002","10.6871","0.0004","90","","112.228","0.004","90","","625.94","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H16 N6 O -","- C12 H16 N6 O -","- C24 H32 N12 O2 -","2","1","","Said Stålsmeden, Anna; Ferrara, Flavia; Ekebergh, Andreas; Gumbo, Maureen; Runemark, August; Johansson, Johan R.; Norrby, Per-Ola; Kann, Nina","Ruthenium-catalyzed synthesis of tricyclic 1,5-fused 1,2,3-triazole piperazines.","Organic & biomolecular chemistry","2025","23","35","8001","8011","10.1039/d5ob01137j","","x-ray","1.54184","CuKα","","0.0379","0.0342","","","0.0905","0.0936","","","","","","1.061","","","","has coordinates","302776","2025-10-06","10:33:19",""
"7160695","11.4836","0.0002","6.00559","0.00014","12.6737","0.0003","90","","100.456","0.002","90","","859.54","0.03","107.02","0.1","107.02","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N4 O -","- C20 H22 N4 O -","- C40 H44 N8 O2 -","2","1","","Said Stålsmeden, Anna; Ferrara, Flavia; Ekebergh, Andreas; Gumbo, Maureen; Runemark, August; Johansson, Johan R.; Norrby, Per-Ola; Kann, Nina","Ruthenium-catalyzed synthesis of tricyclic 1,5-fused 1,2,3-triazole piperazines.","Organic & biomolecular chemistry","2025","23","35","8001","8011","10.1039/d5ob01137j","","x-ray","1.54184","CuKα","","0.0407","0.0347","","","0.0835","0.1009","","","","","","1.109","","","","has coordinates","302776","2025-10-06","10:33:20",""
"7160696","10.7494","0.0004","11.1404","0.0003","14.0361","0.0005","90","","105.979","0.004","90","","1615.92","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Marra, Francesco; Morelli, Fabrizio; De Nardi, Federica; Priola, Emanuele; Coldham, Iain; Blangetti, Marco","<i>O</i>-Aryl carbamates of 2-substituted piperidines: anionic Fries rearrangement and kinetic resolution by lithiation.","Organic & biomolecular chemistry","2025","23","35","8029","8038","10.1039/d5ob01049g","","","1.54184","CuKα","","0.0539","0.0472","","","0.1296","0.1382","","","","","","1.036","","","","has coordinates","302777","2025-10-06","10:33:27",""
"7160697","10.6819","0.0009","15.6337","0.0015","12.8651","0.0011","90","","104.783","0.009","90","","2077.3","0.3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 S2 -","- C25 H18 N2 S2 -","- C100 H72 N8 S8 -","4","1","","Dubey, Sapana; Trivedi, Pragya; Sau, Madan; Mandal, Sukanya; Roy, Shreya; Rout, Subhrakanta; Das, Subhojit; Sahoo, Gokarneswar; Bonne, Damien; Das, Tapas","Oxidative functionalization of cyclopentane-1,3-diones: cell imaging studies of diphenothiazine derivatives.","Organic & biomolecular chemistry","2025","23","38","8672","8677","10.1039/d5ob01082a","","","0.71073","MoKα","","0.132","0.0591","","","0.0979","0.1211","","","","","","0.99","","","","has coordinates","302791","2025-10-06","10:36:44",""
"7160698","9.0144","0.0005","18.2455","0.0009","10.1329","0.0005","90","","94.613","0.004","90","","1661.18","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cl N O2 -","- C18 H20 Cl N O2 -","- C72 H80 Cl4 N4 O8 -","4","1","","Dubey, Sapana; Trivedi, Pragya; Sau, Madan; Mandal, Sukanya; Roy, Shreya; Rout, Subhrakanta; Das, Subhojit; Sahoo, Gokarneswar; Bonne, Damien; Das, Tapas","Oxidative functionalization of cyclopentane-1,3-diones: cell imaging studies of diphenothiazine derivatives.","Organic & biomolecular chemistry","2025","23","38","8672","8677","10.1039/d5ob01082a","","x-ray","0.71073","MoKα","","0.0747","0.0485","","","0.127","0.1388","","","","","","1.114","","","","has coordinates","302791","2025-10-06","10:36:44",""
"7160699","9.6716","0.0002","16.7005","0.0005","11.2891","0.0003","90","","90","","90","","1823.42","0.08","180","0.1","180","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Lei, Tie; Tan, Jun; Zhang, Yifei; Ma, Dengke","Organocatalytic modular synthesis of 2-functionalized 2,5-dihydrofurans from γ-hydroxy enals.","Organic & biomolecular chemistry","2025","23","36","8170","8175","10.1039/d5ob01216c","","x-ray","0.71073","MoKα","","0.0465","0.0371","","","0.0885","0.0928","","","","","","1.066","","","","has coordinates","302767","2025-10-06","10:29:58",""
"7160700","6.7223","0.0002","9.4163","0.0003","36.3295","0.0009","90","","90","","90","","2299.63","0.12","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","WD-ZFF-Chiral P","","- C26 H27 O3 P -","- C26 H27 O3 P -","- C104 H108 O12 P4 -","4","1","","Zhu, Fangfang; Wu, Xiaozhu; Wang, De","Construction of functionalized adjacent P(V)-C chiral stereogenic centers <i>via</i> organophosphine-catalyzed asymmetric S<sub>N</sub>2' substitution of unsymmetrical phosphine oxides with MBH adducts.","Organic & biomolecular chemistry","2025","23","36","8186","8192","10.1039/d5ob01071c","","","1.54178","CuKα","","0.0398","0.0318","","","0.0876","0.089","","","","","","1.051","","","","has coordinates","302764","2025-10-06","10:29:24",""
"7160701","6.0625","0.0005","11.513","0.001","24.143","0.002","90","","93.21","0.008","90","","1682.5","0.2","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 F3 O2 -","- C18 H21 F3 O2 -","- C72 H84 F12 O8 -","4","1","","Li, Zhi-Qiang; Wang, Zaixin; Wang, Cheng-Qiang; Zhang, Jian; Feng, Chao","Facile access to multi-substituted trifluoromethyl alkenes <i>via</i> dehydroxyfluorination of 3,3-difluoroallyl alcohols.","Organic & biomolecular chemistry","2025","23","36","8325","8331","10.1039/d5ob01233c","","x-ray","0.71073","MoKα","","0.0564","0.0417","","","0.0899","0.0989","","","","","","1.022","","","","has coordinates","302768","2025-10-06","10:30:08",""
"7160702","21.8864","0.0007","5.8178","0.0002","25.8026","0.001","90","","106.691","0.004","90","","3147","0.2","99.99","0.1","99.99","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C17 H22 N2 O4 -","- C17 H22 N2 O4 -","- C136 H176 N16 O32 -","8","1","","Xiao, Dan; Shi, Haofeng; He, Jiaxin; Yang, Kaiyue; Yin, Dongxue; Wang, Zhijian; Gao, Yingjie; Du, Yunfei","Oxidative rearrangement of indoles mediated by 2-bromoethanol and hydrogen peroxide to access spirooxindoles.","Organic & biomolecular chemistry","2025","23","37","8479","8486","10.1039/d5ob01126d","","x-ray","1.54184","CuKα","","0.0571","0.0401","","","0.0949","0.1024","","","","","","1.029","","","","has coordinates","302748","2025-10-06","10:24:42",""
"7160703","9.629","0.005","9.551","0.005","19.91","0.011","90","","91.357","0.006","90","","1830.5","1.7","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C88 H108 N4 O8 -","4","1","","Strunin, Daniil; Pak, Alexandra; Khakina, Ekaterina; Solov'eva, Svetlana; Nelyubina, Yulia; Nikovskiy, Igor","Unlocking iminodioxocines and amine-bis(phenols) <i>via</i> sterically guided ammonia condensation: a shortcut to tunable ONO pincer ligands.","Organic & biomolecular chemistry","2025","23","36","8332","8340","10.1039/d5ob01127b","","","0.71073","MoKα","","0.0961","0.0582","","","0.128","0.1472","","","","","","1.067","","","","has coordinates,has disorder","302760","2025-10-06","10:28:18",""
"7160704","9.5731","0.0016","13.252","0.002","15.012","0.003","106.343","0.004","94.889","0.004","97.001","0.004","1799.5","0.5","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H53 N O2 -","- C42 H53 N O2 -","- C84 H106 N2 O4 -","2","1","","Strunin, Daniil; Pak, Alexandra; Khakina, Ekaterina; Solov'eva, Svetlana; Nelyubina, Yulia; Nikovskiy, Igor","Unlocking iminodioxocines and amine-bis(phenols) <i>via</i> sterically guided ammonia condensation: a shortcut to tunable ONO pincer ligands.","Organic & biomolecular chemistry","2025","23","36","8332","8340","10.1039/d5ob01127b","","","0.71073","MoKα","","0.1391","0.0602","","","0.1204","0.1516","","","","","","0.952","","","","has coordinates","302760","2025-10-06","10:28:19",""
"7160705","10.6175","0.001","18.7821","0.0017","18.3618","0.0017","90","","95.845","0.002","90","","3642.7","0.6","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H63 N O2 -","- C38 H63 N O2 -","- C152 H252 N4 O8 -","4","1","","Strunin, Daniil; Pak, Alexandra; Khakina, Ekaterina; Solov'eva, Svetlana; Nelyubina, Yulia; Nikovskiy, Igor","Unlocking iminodioxocines and amine-bis(phenols) <i>via</i> sterically guided ammonia condensation: a shortcut to tunable ONO pincer ligands.","Organic & biomolecular chemistry","2025","23","36","8332","8340","10.1039/d5ob01127b","","","0.71073","MoKα","","0.0958","0.0548","","","0.1213","0.1461","","","","","","1.017","","","","has coordinates,has disorder","302760","2025-10-06","10:28:19",""
"7160706","12.3187","0.0001","14.2745","0.0001","27.5403","0.0002","90","","95.369","0.001","90","","4821.53","0.06","170","0.1","170","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H52 O2 P4 W -","- C57 H52 O2 P4 W -","- C228 H208 O8 P16 W4 -","4","1","","Wang, Chuang-Xin; Li, Yuhan; Yang, Yunhui; Wang, Congyang","Photo-decarbonylation of aldehydes by <i>trans</i>-W(N<sub>2</sub>)<sub>2</sub>(dppe)<sub>2</sub> at room temperature.","Organic & biomolecular chemistry","2025","23","37","8426","8430","10.1039/d5ob01309g","","x-ray","1.54184","CuKα","","0.0281","0.0254","","","0.0649","0.0664","","","","","","1.078","","","","has coordinates","302744","2025-10-06","10:23:59",""
"7160707","12.6925","0.0019","15.819","0.002","10.5522","0.0016","90","","112.458","0.005","90","","1958","0.5","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N2 S2 -","- C25 H16 N2 S2 -","- C100 H64 N8 S8 -","4","1","","Bera, Biman; Dutta, Rahul; Ghorai, Shubhankar; Ganguly, Jhuma; Bera, Mrinal K.","Visible-light-induced regioselective chalcogenation of indoloquinoxalines <i>via</i> cross-dehydrogenative coupling under metal-free, open-air conditions.","Organic & biomolecular chemistry","2025","23","38","8695","8703","10.1039/d5ob01088h","","","0.71073","MoKα","","0.1122","0.0853","","","0.2232","0.2479","","","","","","1.059","","","","has coordinates","302787","2025-10-06","10:35:46",""
"7160708","11.7276","0.0011","30.773","0.003","7.4588","0.0005","90","","100.165","0.004","90","","2649.6","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 O4 S -","- C26 H21 N3 O4 S -","- C104 H84 N12 O16 S4 -","4","1","","Patil, Shivaji V.; Bhanage, Bhalchandra M.; Verma, Ajay; Dawande, Sudam G.","Rhodium(II) catalysed highly diastereoselective synthesis of indolyl-pyrrolo[2,1-<i>a</i>]isoindoles from phthalimide-derived <i>N</i>-sulfonyl-1,2,3-triazoles and indoles.","Organic & biomolecular chemistry","2025","23","37","8437","8441","10.1039/d5ob01295c","","","0.71073","MoKα","","0.0922","0.0508","","","0.1139","0.1278","","","","","","0.8996","","","","has coordinates","302749","2025-10-06","10:24:59",""
"7160709","12.8644","0.0017","26.09","0.004","7.1684","0.0008","90","","92.191","0.003","90","","2404.2","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl N3 O4 S -","- C26 H20 Cl N3 O4 S -","- C104 H80 Cl4 N12 O16 S4 -","4","1","","Patil, Shivaji V.; Bhanage, Bhalchandra M.; Verma, Ajay; Dawande, Sudam G.","Rhodium(II) catalysed highly diastereoselective synthesis of indolyl-pyrrolo[2,1-<i>a</i>]isoindoles from phthalimide-derived <i>N</i>-sulfonyl-1,2,3-triazoles and indoles.","Organic & biomolecular chemistry","2025","23","37","8437","8441","10.1039/d5ob01295c","","","0.71073","MoKα","","0.1306","0.0858","","","0.1594","0.1763","","","","","","1.141","","","","has coordinates","302749","2025-10-06","10:24:59",""
"7160710","28.67","0.012","7.613","0.003","17.786","0.007","90","","98.54","0.02","90","","3839","3","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 B N2 O3 -","- C22 H23 B N2 O3 -","- C176 H184 B8 N16 O24 -","8","1","","Zhang, Xiang; Zhang, Bin; Wang, Ya-Peng; Tang, Mei-Ling; Zhang, Qian-Xi; Liu, Hao; Hu, Jia-Tao; Qi, Ting; Li, Jun-Long","Diastereoconvergence in NHC/photo dual-catalysis: stereoselective boroacylation of internal electron-poor alkenes.","Organic & biomolecular chemistry","2025","23","42","9624","9634","10.1039/d5ob01110h","","","0.71073","MoKα","","0.0932","0.0549","","","0.1136","0.1347","","","","","","1.032","","","","has coordinates","303932","2025-11-29","22:08:01",""
"7160711","9.3194","0.0005","16.4785","0.0008","14.8376","0.0006","90","","101.632","0.002","90","","2231.81","0.19","270","2","270","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 B N2 O4 -","- C23 H27 B N2 O4 -","- C92 H108 B4 N8 O16 -","4","1","","Zhang, Xiang; Zhang, Bin; Wang, Ya-Peng; Tang, Mei-Ling; Zhang, Qian-Xi; Liu, Hao; Hu, Jia-Tao; Qi, Ting; Li, Jun-Long","Diastereoconvergence in NHC/photo dual-catalysis: stereoselective boroacylation of internal electron-poor alkenes.","Organic & biomolecular chemistry","2025","23","42","9624","9634","10.1039/d5ob01110h","","","0.71073","MoKα","","0.0811","0.0472","","","0.1219","0.1389","","","","","","1.059","","","","has coordinates","303932","2025-11-29","22:08:01",""
"7160712","10.3606","0.0012","10.7025","0.001","12.3148","0.0014","73.538","0.004","84.906","0.004","64.683","0.003","1182.9","0.2","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 B N2 O3 -","- C27 H29 B N2 O3 -","- C54 H58 B2 N4 O6 -","2","1","","Zhang, Xiang; Zhang, Bin; Wang, Ya-Peng; Tang, Mei-Ling; Zhang, Qian-Xi; Liu, Hao; Hu, Jia-Tao; Qi, Ting; Li, Jun-Long","Diastereoconvergence in NHC/photo dual-catalysis: stereoselective boroacylation of internal electron-poor alkenes.","Organic & biomolecular chemistry","2025","23","42","9624","9634","10.1039/d5ob01110h","","","0.71073","MoKα","","0.079","0.0531","","","0.1335","0.1481","","","","","","1.043","","","","has coordinates","303932","2025-11-29","22:08:01",""
"7160713","27.8316","0.0015","18.4858","0.0008","19.7674","0.001","90","","108.705","0.006","90","","9633","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H38 Cl3 N3 O P2 Ru -","- C48 H38 Cl3 N3 O P2 Ru -","- C384 H304 Cl24 N24 O8 P16 Ru8 -","8","1","","Sonawane, Sachin C.; Kaur, Bhupinder; Arya, Hanshika; Gourkhede, Rani; Balakrishna, Maravanji S.","Ru<sup>II</sup>-amidobis(phosphine) catalyzed alkylation of indole and epoxide opening followed by α-alkylation through alcohol oxidation.","Organic & biomolecular chemistry","2025","23","37","8570","8579","10.1039/d5ob00937e","","","1.54184","CuKα","","0.1767","0.1211","","","0.2954","0.362","","","","","","0.999","","","","has coordinates","302745","2025-10-06","10:24:09",""
"7160714","13.9","0.003","13.924","0.003","14.228","0.003","90","","102.004","0.006","90","","2693.5","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O4 -","- C34 H28 N2 O4 -","- C136 H112 N8 O16 -","4","1","","Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Kaulage, Sandeep H.; Kinage, Anil K.","Rongalite-promoted self-dimerization of 3-acylidene-2-oxindoles: a diastereoselective route to synthesis of bispirooxindoles.","Organic & biomolecular chemistry","2025","23","38","8687","8694","10.1039/d5ob01069a","","","0.71073","MoKα","","0.214","0.1151","","","0.1473","0.1734","","","","","","1.116","","","","has coordinates","302788","2025-10-06","10:36:00",""
"7160715","11.106","0.003","11.106","0.003","14.374","0.006","90","","90","","120","","1535.4","0.9","296","2","296","2","","","","","","","","5","P 31","P 31","144","","","","- C72 H66 F6 N6 O12 -","- C72 H66 F6 N6 O12 -","- C72 H66 F6 N6 O12 -","1","0.333333","","Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Kaulage, Sandeep H.; Kinage, Anil K.","Rongalite-promoted self-dimerization of 3-acylidene-2-oxindoles: a diastereoselective route to synthesis of bispirooxindoles.","Organic & biomolecular chemistry","2025","23","38","8687","8694","10.1039/d5ob01069a","","","0.71073","MoKα","","0.0884","0.056","","","0.1282","0.1462","","","","","","0.958","","","","has coordinates","302788","2025-10-06","10:36:04",""
"7160716","5.7508","0.0003","8.1021","0.0004","35.1491","0.0015","90","","90","","90","","1637.72","0.14","273.15","","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O2 S -","- C17 H14 Cl N O2 S -","- C68 H56 Cl4 N4 O8 S4 -","4","1","","Ji, Wen-Tao; Cheng, Ting-Ting; Li, Yao; Chai, Zhuo","Catalytic asymmetric kinetic resolution of 2-ethynylaziridines <i>via</i> nucleophilic ring opening with amines.","Organic & biomolecular chemistry","2025","23","38","8764","8768","10.1039/d5ob01270h","","","1.54178","CuKα","","0.0617","0.0596","","","0.1625","0.1659","","","","","","1.079","","","","has coordinates","302789","2025-10-06","10:36:22",""
"7160717","21.478","0.003","9.9044","0.0015","18.416","0.003","90","","105.547","0.005","90","","3774.2","1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H38 Cl2 N O2 P Ru -","- C37 H38 Cl2 N O2 P Ru -","- C148 H152 Cl8 N4 O8 P4 Ru4 -","4","1","","Pandey, Ankit; Balakrishna, Maravanji S.","Ru<sup>II</sup>-phosphine catalysed direct synthesis of benzimidazoles <i>via</i> acceptorless dehydrogenative coupling of alcohols with aromatic diamines.","Organic & biomolecular chemistry","2025","23","38","8795","8804","10.1039/d5ob01280e","","","0.71073","MoKα","","0.056","0.0391","","","0.0798","0.0884","","","","","","1.0722","","","","has coordinates","302790","2025-10-06","10:36:36",""
"7160718","15.992","0.004","13.585","0.003","12.295","0.003","90","","115.494","0.009","90","","2411","1","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H16 B F7 N4 -","- C29 H16 B F7 N4 -","- C116 H64 B4 F28 N16 -","4","0.5","","Zaitsev, Andrei V.; Markova, Alina A.; Nguyen, Minh Tuan; Makarenkov, Anton V.; Shibaeva, Anna V.; Burtsev, Ivan D.; Egorov, Anton E.; Smol'yakov, Alexander F.; Kononova, Elena G.; Kuzmin, Vladimir A.; Shtil, Alexander A.; Ol'shevskaya, Valentina A.","New carborane-BODIPY conjugates: synthesis, photochemical properties and tumor cell photodamage.","Organic & biomolecular chemistry","2025","23","37","8553","8569","10.1039/d5ob01238d","","","0.71073","MoKα","","0.0961","0.0575","","","0.1029","0.1173","","","","","","1.069","","","","has coordinates","302747","2025-10-06","10:24:31",""
"7160719","32.7758","0.001","10.8044","0.0004","25.4493","0.0008","90","","103.165","0.002","90","","8775.3","0.5","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H26 B F17 N10 O -","- C46 H26 B F17 N10 O -","- C368 H208 B8 F136 N80 O8 -","8","1","","Zaitsev, Andrei V.; Markova, Alina A.; Nguyen, Minh Tuan; Makarenkov, Anton V.; Shibaeva, Anna V.; Burtsev, Ivan D.; Egorov, Anton E.; Smol'yakov, Alexander F.; Kononova, Elena G.; Kuzmin, Vladimir A.; Shtil, Alexander A.; Ol'shevskaya, Valentina A.","New carborane-BODIPY conjugates: synthesis, photochemical properties and tumor cell photodamage.","Organic & biomolecular chemistry","2025","23","37","8553","8569","10.1039/d5ob01238d","","","0.71073","MoKα","","0.1819","0.0563","","","0.107","0.1471","","","","","","0.968","","","","has coordinates","302747","2025-10-06","10:24:33",""
"7160720","7.5075","0.0005","10.2822","0.0005","15.6878","0.0009","72.906","0.005","88.731","0.005","80.529","0.005","1141.28","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 O4 S2 -","- C23 H21 N3 O4 S2 -","- C46 H42 N6 O8 S4 -","2","1","","Kaur, Parmjeet; Kumar, Anuj; Palmo, Tashi; Singh, Kuljit; Tyagi, Vikas","Electrochemical <i>N</i>-sulfonylation of <i>in situ</i> generated indole-based hydrazones and antimicrobial evaluation.","Organic & biomolecular chemistry","2025","23","39","8948","8960","10.1039/d5ob01107h","","x-ray","0.71073","MoKα","","0.1364","0.0676","","","0.1555","0.1952","","","","","","0.957","","","","has coordinates","303943","2025-11-29","22:10:04",""
"7160721","17.8977","0.001","6.701","0.0004","18.182","0.001","90","","109.214","0.0019","90","","2059.1","0.2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N3 O3 -","- C24 H23 N3 O3 -","- C96 H92 N12 O12 -","4","1","","Nagineni, Devendra; Pranathi, Abburi Naga; Behera, Prakash Suman; Konderpu, Manasa; Sridhar, Balasubramanian; Kantevari, Srinivas","DBU-catalysed cascade nucleophilic addition/cyclization to access 7-nitro (ester) imidazo[1,2-<i>a</i>] pyridin-8-amines.","Organic & biomolecular chemistry","2025","23","39","8920","8927","10.1039/d5ob01228g","","","0.71073","MoKα","","0.0793","0.0471","","","0.1233","0.1452","","","","","","1.007","","","","has coordinates","303940","2025-11-29","22:09:31",""
"7160722","7.5987","0.0001","12.2734","0.0001","17.7907","0.0002","90","","90","","90","","1659.19","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","","Elizondo, Anna I.; McCarty, Kevin D.; Arman, Hadi D.; Guengerich, F. Peter; Yoshimoto, Francis K.","A synthesis of 1β-hydroxytestosterone, a metabolite of xenobiotic human cytochrome P450 enzymes, beginning with a borylation of boldione.","Organic & biomolecular chemistry","2025","23","42","9618","9623","10.1039/d5ob01218j","","x-ray","1.54184","CuKα","","0.0325","0.0314","","","0.0848","0.0856","","","","","","1.085","","","","has coordinates","303926","2025-11-29","22:06:42",""
"7160723","11.1137","0.0006","6.2606","0.0002","13.1134","0.0007","90","","114.743","0.006","90","","828.65","0.08","100.01","0.11","100.01","0.11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C38 H56 O6 -","2","1","","Elizondo, Anna I.; McCarty, Kevin D.; Arman, Hadi D.; Guengerich, F. Peter; Yoshimoto, Francis K.","A synthesis of 1β-hydroxytestosterone, a metabolite of xenobiotic human cytochrome P450 enzymes, beginning with a borylation of boldione.","Organic & biomolecular chemistry","2025","23","42","9618","9623","10.1039/d5ob01218j","","x-ray","1.54184","CuKα","","0.0689","0.0658","","","0.1427","0.1445","","","","","","1.096","","","","has coordinates","303926","2025-11-29","22:06:43",""
"7160724","11.4856","0.0002","15.6493","0.0003","25.3082","0.0005","90","","90","","90","","4548.94","0.15","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 B O4 -","- C25 H37 B O4 -","- C200 H296 B8 O32 -","8","2","","Elizondo, Anna I.; McCarty, Kevin D.; Arman, Hadi D.; Guengerich, F. Peter; Yoshimoto, Francis K.","A synthesis of 1β-hydroxytestosterone, a metabolite of xenobiotic human cytochrome P450 enzymes, beginning with a borylation of boldione.","Organic & biomolecular chemistry","2025","23","42","9618","9623","10.1039/d5ob01218j","","x-ray","1.54184","CuKα","","0.0761","0.07","","","0.1479","0.1512","","","","","","1.099","","","","has coordinates,has disorder","303926","2025-11-29","22:06:43",""
"7160725","7.94675","0.00007","9.36032","0.0001","23.008","0.0003","90","","90","","90","","1711.43","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O4 -","- C19 H32 O4 -","- C76 H128 O16 -","4","1","","Elizondo, Anna I.; McCarty, Kevin D.; Arman, Hadi D.; Guengerich, F. Peter; Yoshimoto, Francis K.","A synthesis of 1β-hydroxytestosterone, a metabolite of xenobiotic human cytochrome P450 enzymes, beginning with a borylation of boldione.","Organic & biomolecular chemistry","2025","23","42","9618","9623","10.1039/d5ob01218j","","x-ray","1.54184","CuKα","","0.0288","0.0281","","","0.0734","0.0739","","","","","","1.028","","","","has coordinates","303926","2025-11-29","22:06:43",""
"7160726","11.3196","0.0005","7.2773","0.0002","15.2503","0.0006","90","","110.961","0.004","90","","1173.13","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H40 O3 Si -","- C25 H40 O3 Si -","- C50 H80 O6 Si2 -","2","1","","Elizondo, Anna I.; McCarty, Kevin D.; Arman, Hadi D.; Guengerich, F. Peter; Yoshimoto, Francis K.","A synthesis of 1β-hydroxytestosterone, a metabolite of xenobiotic human cytochrome P450 enzymes, beginning with a borylation of boldione.","Organic & biomolecular chemistry","2025","23","42","9618","9623","10.1039/d5ob01218j","","x-ray","1.54184","CuKα","","0.0499","0.0424","","","0.1027","0.1074","","","","","","1.067","","","","has coordinates","303926","2025-11-29","22:06:43",""
"7160727","7.2296","0.0001","11.0072","0.0002","30.5982","0.0005","90","","90","","90","","2434.93","0.07","100","0.11","100","0.11","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H43 O3 Si -","- C25 H43 O3 Si -","- C100 H172 O12 Si4 -","4","1","","Elizondo, Anna I.; McCarty, Kevin D.; Arman, Hadi D.; Guengerich, F. Peter; Yoshimoto, Francis K.","A synthesis of 1β-hydroxytestosterone, a metabolite of xenobiotic human cytochrome P450 enzymes, beginning with a borylation of boldione.","Organic & biomolecular chemistry","2025","23","42","9618","9623","10.1039/d5ob01218j","","x-ray","1.54184","CuKα","","0.0645","0.0606","","","0.135","0.137","","","","","","1.098","","","","has coordinates,has disorder","303926","2025-11-29","22:06:43",""
"7160728","35.629","0.003","14.3002","0.0009","14.2548","0.0009","90","","98.83","0.004","90","","7176.8","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H51 N O3 Si2 -","- C39.0006 H51.0014 N O3 Si2 -","- C312.005 H408.011 N8 O24 Si16 -","8","1","","Fordyce, Chloe D.; Robinson, Callum J.; Rudebusch, Gabriel E.","Anthracene-isatoic anhydride hybrids for bioconjugation: chromophores with nucleophile dependent response.","Organic & biomolecular chemistry","2025","23","39","8937","8947","10.1039/d5ob01187f","","","0.71073","MoKα","","0.0609","0.0521","","","0.1433","0.1491","","","","","","1.063","","","","has coordinates,has disorder","303941","2025-11-29","22:09:44",""
"7160729","17.0836","0.0003","7.2277","0.0001","17.8604","0.0003","90","","112.621","0.002","90","","2035.66","0.06","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","OTP-N-mU-1","OTP-N-mU-1","","- C12.05 H18.4 Cl1.05 N4.35 O5 P S2 -","- C12.05 H18.4 Cl1.05 N4.35 O5 P S2 -","- C48.2 H73.6 Cl4.2 N17.4 O20 P4 S8 -","4","2","","Jastrzębska, Katarzyna; Szymańska, Agata; Pawlak, Tomasz; Dolot, Rafał","Morpholino-based phosphorothioate analogs <i>via</i> oxathiaphospholane chemistry: synthesis, structural insights and stability.","Organic & biomolecular chemistry","2025","23","38","8755","8763","10.1039/d5ob01223f","","x-ray","1.54184","CuKα","","0.0604","0.0564","","","0.1585","0.1637","","","","","","1.047","","","","has coordinates","302792","2025-10-06","10:36:58",""
"7160730","14.5392","0.0014","5.8693","0.0006","18.7308","0.0016","90","","92.041","0.009","90","","1597.4","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O2 S -","- C19 H15 N O2 S -","- C76 H60 N4 O8 S4 -","4","1","","Wan, Guibin; Wang, Cheng; Zhou, Pengfei; Tang, Yi; Xu, Dingyi; Liang, Taoyuan; Wei, Zongwu; Zhang, Zhuan","Tunable regiodivergent C-H alkenylation of 2-arylthiazoles <i>via</i> catalyst control.","Organic & biomolecular chemistry","2025","23","39","8961","8966","10.1039/d5ob01310k","","","0.71073","MoKα","","0.1365","0.0669","","","0.0959","0.117","","","","","","1.031","","","","has coordinates","303939","2025-11-29","22:09:22",""
"7160731","9.22","0.003","11.185","0.004","7.437","0.003","90","","90","","90","","766.9","0.5","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Cyclohexylammonium chloride","","- C6 H14 Cl N -","- C6 H14 Cl N -","- C24 H56 Cl4 N4 -","4","1","","Fischer, Niklas Henrik; Bałuta, Alicja Klaudia; Szpak, Maciej Tadeusz; Thulstrup, Peter Waaben; Pedersen, Christian Marcus","UV-mediated anomeric activation.","Organic & biomolecular chemistry","2025","23","39","8928","8936","10.1039/d5ob01184a","","","0.71073","MoKα","","0.0763","0.0458","","","0.0915","0.1055","","","","","","1.018","","","","has coordinates","303937","2025-11-29","22:09:06",""
"7160732","7.8198","0.0002","25.8453","0.0004","8.2657","0.0001","90","","101.258","0.002","90","","1638.4","0.05","149.98","0.1","149.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 N2 O2 S -","- C15 H24 N2 O2 S -","- C60 H96 N8 O8 S4 -","4","1","","Chen, Wei; Wang, Zhiqiang; Yang, Jinhui; Li, Zheng","Synthesis of <i>N</i>-sulfonyl acetamidines using calcium carbide as an alkyne source.","Organic & biomolecular chemistry","2025","23","39","9001","9007","10.1039/d5ob01072a","","x-ray","1.54184","CuKα","","0.0528","0.0513","","","0.1429","0.1444","","","","","","1.065","","","","has coordinates","303938","2025-11-29","22:09:14",""
"7160733","8.4881","0.0012","6.8098","0.0009","12.4405","0.0017","90","","103.668","0.004","90","","698.73","0.17","150","","150","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H20 N2 S2 -","- C12 H20 N2 S2 -","- C24 H40 N4 S4 -","2","0.25","","Luo, Xuanyang; Brennan, Luke E.; Hawes, Chris S.; Krämer, Tobias; Farragher, John; Robinson, Shane; Kavanagh, Kevin; Elmes, Robert B. P.","Thiosquaramides: dual-function ionophores for Zn<sup>2+</sup> and Cl<sup>-</sup> with ion dependent anti-microbial activity.","Organic & biomolecular chemistry","2025","23","40","9142","9151","10.1039/d5ob01166c","","","0.71073","MoKα","","0.0723","0.0506","","","0.0822","0.0879","","","","","","1.093","","","","has coordinates,has disorder","303956","2025-11-29","22:13:04",""
"7160734","17.4462","0.0005","17.4462","0.0005","40.0341","0.0019","90","","90","","120","","10552.7","0.7","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C96 H192 N18 O12 S15 -","- C96 H192 N18 O12 S15 -","- C288 H576 N54 O36 S45 -","3","0.166667","","Luo, Xuanyang; Brennan, Luke E.; Hawes, Chris S.; Krämer, Tobias; Farragher, John; Robinson, Shane; Kavanagh, Kevin; Elmes, Robert B. P.","Thiosquaramides: dual-function ionophores for Zn<sup>2+</sup> and Cl<sup>-</sup> with ion dependent anti-microbial activity.","Organic & biomolecular chemistry","2025","23","40","9142","9151","10.1039/d5ob01166c","","","0.71073","MoKα","","0.1136","0.0624","","","0.129","0.1493","","","","","","1.036","","","","has coordinates,has disorder","303956","2025-11-29","22:13:05",""
"7160735","17.8074","0.0018","19.4115","0.0017","21.364","0.002","90","","107.795","0.003","90","","7031.5","1.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Cl2 N4 O8 Pb S4 -","- C32 H24 Cl2 N4 O8 Pb S4 -","- C256 H192 Cl16 N32 O64 Pb8 S32 -","8","2","","Luo, Xuanyang; Brennan, Luke E.; Hawes, Chris S.; Krämer, Tobias; Farragher, John; Robinson, Shane; Kavanagh, Kevin; Elmes, Robert B. P.","Thiosquaramides: dual-function ionophores for Zn<sup>2+</sup> and Cl<sup>-</sup> with ion dependent anti-microbial activity.","Organic & biomolecular chemistry","2025","23","40","9142","9151","10.1039/d5ob01166c","","","0.71073","MoKα","","0.1409","0.0581","","","0.0981","0.1207","","","","","","1.016","","","","has coordinates,has disorder","303956","2025-11-29","22:13:05",""
"7160736","9.755","0.002","17.605","0.004","19.937","0.005","90","","90","","90","","3423.9","1.4","102","2","102","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H15 N S -","- C23 H15 N S -","- C184 H120 N8 S8 -","8","1","","Balasubramani, Alagesan; Shivachalappa Salgar, Rupali; Lingamallu, Giribabu; Pabbaraja, Srihari; Mehta, Goverdhan","Stitching ynones with indolin-2-thiones: an eco-friendly reaction cascade towards functionalized thiopyrano[2,3-<i>b</i>]indoles and their inceptive optoelectronic profiling.","Organic & biomolecular chemistry","2025","23","40","9100","9104","10.1039/d5ob01279a","","x-ray","0.71073","MoKα","","0.0576","0.0489","","","0.1247","0.1296","","","","","","1.0124","","","","has coordinates","303953","2025-11-29","22:12:31",""
"7160737","9.555","0.006","10.663","0.006","11.118","0.006","115.183","0.008","110.52","0.01","95.253","0.01","920.5","0.9","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H13 Br F N S -","- C23 H13 Br F N S -","- C46 H26 Br2 F2 N2 S2 -","2","1","","Balasubramani, Alagesan; Shivachalappa Salgar, Rupali; Lingamallu, Giribabu; Pabbaraja, Srihari; Mehta, Goverdhan","Stitching ynones with indolin-2-thiones: an eco-friendly reaction cascade towards functionalized thiopyrano[2,3-<i>b</i>]indoles and their inceptive optoelectronic profiling.","Organic & biomolecular chemistry","2025","23","40","9100","9104","10.1039/d5ob01279a","","","0.71073","MoKα","","0.0876","0.0639","","","0.2006","0.2199","","","","","","1.071","","","","has coordinates,has disorder","303953","2025-11-29","22:12:32",""
"7160738","34.0625","0.0007","15.8412","0.0003","29.0629","0.0006","90","","90","","90","","15682.1","0.5","298","2","298","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C45 H36 O4 -","- C45 H36 O4 -","- C720 H576 O64 -","16","2","","Xu, Zhongwei; Lei, Yu; Chang, Meng; Qiang, Ruihua; Hu, Qiong; Hu, Yimin","Formation of complex cyclic compounds <i>via</i> a dehydrogenative Diels-Alder reaction.","Organic & biomolecular chemistry","2025","23","41","9330","9335","10.1039/d5ob01117e","","x-ray","1.54178","CuKα","","0.1232","0.0835","","","0.2283","0.2698","","","","","","1.04","","","","has coordinates,has disorder","303919","2025-11-29","22:04:22",""
"7160739","9.5564","0.0015","11.9079","0.0018","20.159","0.003","94.418","0.004","98.514","0.004","109.861","0.004","2113.7","0.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H48 O4 -","- C51 H48 O4 -","- C102 H96 O8 -","2","1","","Xu, Zhongwei; Lei, Yu; Chang, Meng; Qiang, Ruihua; Hu, Qiong; Hu, Yimin","Formation of complex cyclic compounds <i>via</i> a dehydrogenative Diels-Alder reaction.","Organic & biomolecular chemistry","2025","23","41","9330","9335","10.1039/d5ob01117e","","x-ray","0.71073","MoKα","","0.0949","0.06","","","0.1449","0.1678","","","","","","1.01","","","","has coordinates,has disorder","303919","2025-11-29","22:04:23",""
"7160740","12.339","0.002","13.009","0.002","14.809","0.003","109.92","0.005","98.261","0.006","106.012","0.005","2072.6","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 Cl2 O4 -","- C46 H38 Cl2 O4 -","- C92 H76 Cl4 O8 -","2","1","","Xu, Zhongwei; Lei, Yu; Chang, Meng; Qiang, Ruihua; Hu, Qiong; Hu, Yimin","Formation of complex cyclic compounds <i>via</i> a dehydrogenative Diels-Alder reaction.","Organic & biomolecular chemistry","2025","23","41","9330","9335","10.1039/d5ob01117e","","x-ray","0.71073","MoKα","","0.1528","0.0757","","","0.1989","0.2456","","","","","","1.028","","","","has coordinates,has disorder","303919","2025-11-29","22:04:23",""
"7160741","11.4926","0.0003","12.0281","0.0003","16.1002","0.0005","72.269","0.001","75.163","0.001","73.708","0.001","1999","0.1","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C49 H44 O4 -","- C49 H44 O4 -","- C98 H88 O8 -","2","1","","Xu, Zhongwei; Lei, Yu; Chang, Meng; Qiang, Ruihua; Hu, Qiong; Hu, Yimin","Formation of complex cyclic compounds <i>via</i> a dehydrogenative Diels-Alder reaction.","Organic & biomolecular chemistry","2025","23","41","9330","9335","10.1039/d5ob01117e","","x-ray","1.54178","CuKα","","0.0987","0.0789","","","0.2283","0.2618","","","","","","1.127","","","","has coordinates,has disorder","303919","2025-11-29","22:04:23",""
"7160742","9.9135","0.0003","20.7059","0.0006","18.8664","0.0005","90","","92.962","0.002","90","","3867.49","0.19","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 O4 -","- C49 H44 O4 -","- C196 H176 O16 -","4","1","","Xu, Zhongwei; Lei, Yu; Chang, Meng; Qiang, Ruihua; Hu, Qiong; Hu, Yimin","Formation of complex cyclic compounds <i>via</i> a dehydrogenative Diels-Alder reaction.","Organic & biomolecular chemistry","2025","23","41","9330","9335","10.1039/d5ob01117e","","x-ray","1.54178","CuKα","","0.1311","0.1103","","","0.2941","0.333","","","","","","1.268","","","","has coordinates","303919","2025-11-29","22:04:23",""
"7160743","9.4423","0.0003","11.5086","0.0004","21.8343","0.0007","99.228","0.003","91.601","0.003","92.646","0.003","2337.97","0.13","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N3 O9 -","- C25 H23 N3 O9 -","- C100 H92 N12 O36 -","4","2","","Suresh, Alati; Satham, Lakshminarayana; Kumari, Rajni; Namboothiri, Irishi N. N.","Synthesis of benzofuranyl indolinones and benzonaphthoxazepinones <i>via</i> reaction of sulfonyl phthalide with nitroisatylidenes.","Organic & biomolecular chemistry","2025","23","45","10300","10310","10.1039/d5ob01255d","","","0.71073","MoKα","","0.0876","0.0521","","","0.1185","0.1476","","","","","","1.036","","","","has coordinates","303961","2025-11-29","22:14:39",""
"7160744","8.9817","0.0004","13.153","0.0005","14.9506","0.0006","71.502","0.004","85.27","0.004","74.303","0.004","1612.48","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H31 N3 O8 S -","- C37 H31 N3 O8 S -","- C74 H62 N6 O16 S2 -","2","1","","Suresh, Alati; Satham, Lakshminarayana; Kumari, Rajni; Namboothiri, Irishi N. N.","Synthesis of benzofuranyl indolinones and benzonaphthoxazepinones <i>via</i> reaction of sulfonyl phthalide with nitroisatylidenes.","Organic & biomolecular chemistry","2025","23","45","10300","10310","10.1039/d5ob01255d","","","0.71073","MoKα","","0.0836","0.0554","","","0.1132","0.1357","","","","","","1.071","","","","has coordinates","303961","2025-11-29","22:14:39",""
"7160745","8.2207","0.0002","9.1875","0.0003","13.4343","0.0004","90.049","0.002","106.097","0.002","93.011","0.002","973.41","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N O5 S -","- C24 H17 N O5 S -","- C48 H34 N2 O10 S2 -","2","1","","Suresh, Alati; Satham, Lakshminarayana; Kumari, Rajni; Namboothiri, Irishi N. N.","Synthesis of benzofuranyl indolinones and benzonaphthoxazepinones <i>via</i> reaction of sulfonyl phthalide with nitroisatylidenes.","Organic & biomolecular chemistry","2025","23","45","10300","10310","10.1039/d5ob01255d","","x-ray","0.71073","MoKα","","0.0539","0.0434","","","0.11","0.1175","","","","","","1.051","","","","has coordinates","303961","2025-11-29","22:14:39",""
"7160746","11.3383","0.0007","12.3765","0.0009","14.6007","0.0008","90","","90.591","0.005","90","","2048.8","0.2","106","8","106","8","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N3 O6 -","- C24 H17 N3 O6 -","- C96 H68 N12 O24 -","4","1","","Suresh, Alati; Satham, Lakshminarayana; Kumari, Rajni; Namboothiri, Irishi N. N.","Synthesis of benzofuranyl indolinones and benzonaphthoxazepinones <i>via</i> reaction of sulfonyl phthalide with nitroisatylidenes.","Organic & biomolecular chemistry","2025","23","45","10300","10310","10.1039/d5ob01255d","","x-ray","0.71073","MoKα","","0.1063","0.0674","","","0.1664","0.2006","","","","","","1.046","","","","has coordinates","303961","2025-11-29","22:14:39",""
"7160747","18.644","0.004","5.2728","0.0009","18.686","0.004","90","","90.141","0.006","90","","1836.9","0.6","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 F3 N O4 -","- C18 H22 F3 N O4 -","- C72 H88 F12 N4 O16 -","4","1","","Wang, Jia-Yin; Dai, Jin-Long; Wang, Tao; Zhang, Ming-Xian; Sha, Hong-Kai; Yan, Shenghu","Photoredox-catalyzed allylation of C(sp<sup>3</sup>)-H bonds in <i>N</i>-trifluoroethyl hydroxylamines or hydroxamides <i>via</i> hydrogen atom transfer.","Organic & biomolecular chemistry","2025","23","44","10051","10056","10.1039/d5ob01288k","","x-ray","0.71073","MoKα","","0.1109","0.0647","","","0.1464","0.1763","","","","","","1.037","","","","has coordinates","303897","2025-11-29","21:58:08",""
"7160748","13.8328","0.0011","13.8246","0.0011","20.3995","0.0018","90","","90.092","0.003","90","","3901.1","0.6","296","2","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H13 N O -","- C10 H13 N O -","- C160 H208 N16 O16 -","16","4","","Ge, Shanliang; Wang, Zhongjie; Wang, Yan; Luo, Hui; He, Yu; Yang, Qinqin; Yang, Jinhui","Green synthesis of aryl amides <i>via</i> recyclable Et<sub>3</sub>N/H<sub>2</sub>O-promoted C-Cl activation in water.","Organic & biomolecular chemistry","2025","23","39","8986","8992","10.1039/d5ob01047k","","","0.71073","MoKα","","0.1564","0.0678","","","0.1289","0.161","","","","","","1.071","","","","has coordinates","303942","2025-11-29","22:09:53",""
"7160749","8.7963","0.0007","9.8","0.0007","22.4394","0.0016","90","","90","","90","","1934.4","0.2","293.3","","293.3","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","ZXY-1","","- C92 H84 N4 O4 S4 -","- C92 H84 N4 O4 S4 -","- C92 H84 N4 O4 S4 -","1","0.25","","Zhang, Xiya; Yu, Mingming; Zhou, Junyu; Wang, Jinhua; Li, Shiqing","The metal-free or Lewis acid-catalyzed C5-H methylthiomethylation of oxindoles with DMSO.","Organic & biomolecular chemistry","2025","23","40","9158","9163","10.1039/d5ob01356a","","","0.71073","MoKα","","0.172","0.0924","","","0.2307","0.3049","","","","","","1.0972","","","","has coordinates","303951","2025-11-29","22:11:56",""
"7160750","8.395","0.002","9.021","0.003","9.771","0.003","114.409","0.009","101.026","0.009","93.038","0.01","654.1","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","ZXY-603","","- C26 H34 N2 O6 S2 -","- C26 H34 N2 O6 S2 -","- C26 H34 N2 O6 S2 -","1","0.5","","Zhang, Xiya; Yu, Mingming; Zhou, Junyu; Wang, Jinhua; Li, Shiqing","The metal-free or Lewis acid-catalyzed C5-H methylthiomethylation of oxindoles with DMSO.","Organic & biomolecular chemistry","2025","23","40","9158","9163","10.1039/d5ob01356a","","","0.71073","MoKα","","0.0693","0.0473","","","0.1102","0.1269","","","","","","1.056","","","","has coordinates","303951","2025-11-29","22:11:58",""
"7160751","47.8889","0.0007","12.8413","0.0002","9.7509","0.0001","90","","90","","90","","5996.37","0.14","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C17 H10 Cl N3 O3 -","- C17 H10 Cl N3 O3 -","- C272 H160 Cl16 N48 O48 -","16","4","","Li, Ke-Jiao; Geng, Ying-Ying; Zhang, Fu-Jian; Li, Xin-Yue; Liu, Jing-Wen; Wu, Cheng-Gui; Feng, Cheng-Tao; Teng, Fan","Enantioselective palladium-catalyzed carbonylation toward N-N axially chiral amides.","Organic & biomolecular chemistry","2025","23","40","9105","9109","10.1039/d5ob01298h","","x-ray","1.54184","CuKα","","0.0605","0.0588","","","0.131","0.1318","","","","","","1.102","","","","has coordinates,has disorder","303954","2025-11-29","22:12:41",""
"7160752","11.7981","0.0012","12.8375","0.0014","12.4903","0.0013","90","","104.568","0.005","90","","1830.9","0.3","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzo[h]isoquinolin-3-ones","ethyl 2-cyclohexyl-3-oxo-2,3-dihydrobenzo[h]isoquinoline-4-carboxylate","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Song, Weihong; Jiang, Xiaomei; Yu, Weiguo; Xiang, ZiWei","One-pot three-component synthesis of benzo[<i>h</i>]isoquinolin-3-ones <i>via</i> rhodium(III)-catalyzed C-H activation.","Organic & biomolecular chemistry","2025","23","42","9587","9591","10.1039/d5ob01222h","","","1.54178","CuKα","","0.0406","0.0352","","","0.0917","0.0956","","","","","","1.064","","","","has coordinates","303927","2025-11-29","22:06:56",""
"7160753","20.4441","0.0017","13.0569","0.0011","7.1711","0.0007","90","","92.963","0.006","90","","1911.7","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N5 O6 -","- C19 H14 Cl N5 O6 -","- C76 H56 Cl4 N20 O24 -","4","1","","Biswas, Raju; Abedin, Tuhin; Karmakar, Srikanta; Baitalik, Sujoy","Substituted pyridil-imidazole derivatives as red-green-blue (RGB) as well as white-light emitters.","Organic & biomolecular chemistry","2025","23","42","9644","9651","10.1039/d5ob01296a","","","0.71073","MoKα","","0.1053","0.0682","","","0.1803","0.2087","","","","","","1.028","","","","has coordinates","303936","2025-11-29","22:08:56",""
"7160754","10.3252","0.0002","14.4115","0.0003","17.254","0.0003","90","","101.614","0.001","90","","2514.86","0.08","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 O2 P -","- C33 H25 O2 P -","- C132 H100 O8 P4 -","4","1","","Zhang, Sen; Zhang, Guo-Ke; Tian, Yi-Ming; Bai, Wen-Xin; Liu, Tian-Ya; Zhang, Yu-Chen","One-pot (2 + 4) cycloaddition of propargyl alcohols with <i>o</i>-hydroxyphenyl substituted secondary phosphine oxides.","Organic & biomolecular chemistry","2025","23","40","9178","9184","10.1039/d5ob01347j","","","1.34139","GaKα","","0.046","0.038","","","0.0992","0.1051","","","","","","1.063","","","","has coordinates","303955","2025-11-29","22:12:50",""
"7160755","10.0806","0.0003","13.6026","0.0005","16.0009","0.0006","68.051","0.004","80.115","0.003","89.958","0.003","2000","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N3 O2 -","- C26 H21 N3 O2 -","- C104 H84 N12 O8 -","4","2","","Arutiunov, Nikolai A.; Zatsepilina, Anna M.; Tolstov, Kirill V.; Shtal, Daria A.; Momotova, Daria S.; Aksenov, Dmitrii A.; Aksenov, Nicolai A.; Aksenov, Alexander V.","Synthesis of fused indolin-3-one derivatives <i>via</i> (3 + 2)-cycloaddition of <i>in situ</i> generated 3<i>H</i>-indol-3-one with nitrilimines, nitrile oxides and azomethine ylides.","Organic & biomolecular chemistry","2025","23","40","9198","9210","10.1039/d5ob01186h","","x-ray","1.54184","CuKα","","0.0561","0.0451","","","0.1119","0.1163","","","","","","0.939","","","","has coordinates","303952","2025-11-29","22:12:09",""
"7160756","10.1671","0.0001","15.2488","0.0001","14.0984","0.0001","90","","97.215","0.001","90","","2168.45","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N3 O -","- C28 H21 N3 O -","- C112 H84 N12 O4 -","4","1","","Arutiunov, Nikolai A.; Zatsepilina, Anna M.; Tolstov, Kirill V.; Shtal, Daria A.; Momotova, Daria S.; Aksenov, Dmitrii A.; Aksenov, Nicolai A.; Aksenov, Alexander V.","Synthesis of fused indolin-3-one derivatives <i>via</i> (3 + 2)-cycloaddition of <i>in situ</i> generated 3<i>H</i>-indol-3-one with nitrilimines, nitrile oxides and azomethine ylides.","Organic & biomolecular chemistry","2025","23","40","9198","9210","10.1039/d5ob01186h","","x-ray","1.54184","CuKα","","0.0425","0.0404","","","0.1115","0.114","","","","","","1.039","","","","has coordinates","303952","2025-11-29","22:12:10",""
"7160757","11.1565","0.0002","9.3159","0.0001","15.0212","0.0002","90","","95.647","0.001","90","","1553.62","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N2 O2 -","- C21 H14 N2 O2 -","- C84 H56 N8 O8 -","4","1","","Arutiunov, Nikolai A.; Zatsepilina, Anna M.; Tolstov, Kirill V.; Shtal, Daria A.; Momotova, Daria S.; Aksenov, Dmitrii A.; Aksenov, Nicolai A.; Aksenov, Alexander V.","Synthesis of fused indolin-3-one derivatives <i>via</i> (3 + 2)-cycloaddition of <i>in situ</i> generated 3<i>H</i>-indol-3-one with nitrilimines, nitrile oxides and azomethine ylides.","Organic & biomolecular chemistry","2025","23","40","9198","9210","10.1039/d5ob01186h","","x-ray","1.54184","CuKα","","0.0345","0.0336","","","0.0849","0.0858","","","","","","1.056","","","","has coordinates","303952","2025-11-29","22:12:10",""
"7160758","10.6603","0.0015","10.8203","0.0016","11.9952","0.0017","80.838","0.005","89.851","0.005","84.639","0.005","1359.9","0.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Cl N3 O2 -","- C34 H26 Cl N3 O2 -","- C68 H52 Cl2 N6 O4 -","2","1","","Kameshwaran, Chinnagounder; Priyanga, Paranthaman; Vidya, Radhakrishnan; Shanthi, Veerappapillai; Imran, Predhanekar Mohamed; Nawaz Khan, Fazlur Rahman","Cetrimide-based DES-mediated synthesis of quinoline-appended imidazo[1,2-<i>a</i>]pyridines and their computational and biological studies.","Organic & biomolecular chemistry","2025","23","41","9416","9423","10.1039/d5ob01293g","","","0.71073","MoKα","","0.1227","0.0616","","","0.1336","0.17","","","","","","1.042","","","","has coordinates","303916","2025-11-29","22:03:19",""
"7160759","11.1025","0.0002","7.4074","0.0001","19.1639","0.0003","90","","106.41","0.002","90","","1511.85","0.04","300.96","0.1","300.96","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Chen, Yu-Ting; Hu, Yue-Hong; Gan, Zhang-Yan; Yu, Chun-Yu; Mo, Juxin; Chen, Meng-En; Zhang, Xiao-Ming; Zhang, Fu-Min","Preparation of α,β,γ,γ-tetrasubstituted α,β-unsaturated γ-lactams <i>via</i> a tandem or one-pot oxidative Ritter reaction/Knoevenagel condensation.","Organic & biomolecular chemistry","2025","23","42","9570","9575","10.1039/d5ob01300c","","x-ray","1.54184","CuKα","","0.05","0.0442","","","0.1155","0.1216","","","","","","1.086","","","","has coordinates","303931","2025-11-29","22:07:47",""
"7160760","20.5269","0.0002","6.6855","0.0001","24.6306","0.0003","90","","114.611","0.002","90","","3073.06","0.08","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C152 H168 N8 O16 -","8","2","","Chen, Yu-Ting; Hu, Yue-Hong; Gan, Zhang-Yan; Yu, Chun-Yu; Mo, Juxin; Chen, Meng-En; Zhang, Xiao-Ming; Zhang, Fu-Min","Preparation of α,β,γ,γ-tetrasubstituted α,β-unsaturated γ-lactams <i>via</i> a tandem or one-pot oxidative Ritter reaction/Knoevenagel condensation.","Organic & biomolecular chemistry","2025","23","42","9570","9575","10.1039/d5ob01300c","","x-ray","1.54184","CuKα","","0.0477","0.0436","","","0.1153","0.1187","","","","","","1.073","","","","has coordinates","303931","2025-11-29","22:07:47",""
"7160761","15.2374","0.0009","10.3904","0.0005","16.2165","0.0009","90","","117.568","0.007","90","","2275.9","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","C30H20N2O2","","- C30 H20 N2 O2 -","- C30 H20 N2 O2 -","- C120 H80 N8 O8 -","4","1","","Banga, Shefali; Babu, Srinivasarao Arulananda","Modification of fluorene and fluorenone core <i>via</i> C-H functionalization.","Organic & biomolecular chemistry","2025","23","42","9692","9712","10.1039/d5ob01242b","","x-ray","0.71073","MoKα","","0.0847","0.0594","","","0.1754","0.2057","","","","","","1.057","","","","has coordinates","303928","2025-11-29","22:07:06",""
"7160762","9.675","0.0006","10.6988","0.0007","12.6825","0.0008","83.843","0.005","69.351","0.006","76.847","0.005","1195.69","0.14","293","","293","","","","","","","","","5","P -1","-P 1","2","","C31H23ClN2O","","- C31 H23 Cl N2 O -","- C31 H23 Cl N2 O -","- C62 H46 Cl2 N4 O2 -","2","1","","Banga, Shefali; Babu, Srinivasarao Arulananda","Modification of fluorene and fluorenone core <i>via</i> C-H functionalization.","Organic & biomolecular chemistry","2025","23","42","9692","9712","10.1039/d5ob01242b","","x-ray","0.71073","MoKα","","0.2241","0.0907","","","0.2233","0.3301","","","","","","0.993","","","","has coordinates","303928","2025-11-29","22:07:06",""
"7160763","11.2175","0.0005","15.8846","0.0008","16.0861","0.0008","90","","105.345","0.001","90","","2764.1","0.2","170","","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Br Cl2 N O4 S -","- C30 H24 Br Cl2 N O4 S -","- C120 H96 Br4 Cl8 N4 O16 S4 -","4","1","","Khandare, Sopan Pralhad; Mandal, Arnab; Patra, Abhijit; Bates, Roderick W.","Donor acceptor phenanthrenes and benzoquinolines: synthesis by C-H activation and their photophysical properties.","Organic & biomolecular chemistry","2025","23","41","9424","9429","10.1039/d5ob01351h","","x-ray","1.34139","GaKα","","0.0562","0.055","","","0.1719","0.1733","","","","","","1.035","","","","has coordinates","303918","2025-11-29","22:03:53",""
"7160764","6.752","0.0008","18.543","0.002","11.0244","0.0013","90","","91.642","0.004","90","","1379.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","9-methoxy-1-methylbenzo[h]quinolin-1-ium tetrafluoroborate","","- C15 H14 B F4 N O -","- C15 H14 B F4 N O -","- C60 H56 B4 F16 N4 O4 -","4","1","","Khandare, Sopan Pralhad; Mandal, Arnab; Patra, Abhijit; Bates, Roderick W.","Donor acceptor phenanthrenes and benzoquinolines: synthesis by C-H activation and their photophysical properties.","Organic & biomolecular chemistry","2025","23","41","9424","9429","10.1039/d5ob01351h","","x-ray","0.71073","MoKα","","0.1212","0.0677","","","0.1675","0.2075","","","","","","1.032","","","","has coordinates","303918","2025-11-29","22:03:54",""
"7160765","6.8333","0.0004","10.9215","0.0007","27.6222","0.0018","90","","96.331","0.003","90","","2048.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-methoxybenzo[h]quinoline","","- C14 H11 N O -","- C14 H11 N O -","- C112 H88 N8 O8 -","8","2","","Khandare, Sopan Pralhad; Mandal, Arnab; Patra, Abhijit; Bates, Roderick W.","Donor acceptor phenanthrenes and benzoquinolines: synthesis by C-H activation and their photophysical properties.","Organic & biomolecular chemistry","2025","23","41","9424","9429","10.1039/d5ob01351h","","","1.54178","CuKα","","0.0991","0.0818","","","0.2324","0.2521","","","","","","1.058","","","","has coordinates,has disorder","303918","2025-11-29","22:03:54",""
"7160766","7.9787","0.0005","11.7412","0.0006","11.6996","0.0007","90","","108.187","0.003","90","","1041.26","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-methoxybenzo[h]quinoline","","- C14 H11 N O -","- C14 H11 N O -","- C56 H44 N4 O4 -","4","1","","Khandare, Sopan Pralhad; Mandal, Arnab; Patra, Abhijit; Bates, Roderick W.","Donor acceptor phenanthrenes and benzoquinolines: synthesis by C-H activation and their photophysical properties.","Organic & biomolecular chemistry","2025","23","41","9424","9429","10.1039/d5ob01351h","","","1.54178","CuKα","","0.0417","0.0388","","","0.1097","0.115","","","","","","1.081","","","","has coordinates","303918","2025-11-29","22:03:54",""
"7160767","4.3852","0.0011","14.944","0.004","19.737","0.005","90","","94.417","0.019","90","","1289.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,7-dimethoxyphenanthrene-3-carbonitrile","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Khandare, Sopan Pralhad; Mandal, Arnab; Patra, Abhijit; Bates, Roderick W.","Donor acceptor phenanthrenes and benzoquinolines: synthesis by C-H activation and their photophysical properties.","Organic & biomolecular chemistry","2025","23","41","9424","9429","10.1039/d5ob01351h","","","1.54178","CuKα","","0.1297","0.0863","","","0.2225","0.2722","","","","","","1.014","","","","has coordinates","303918","2025-11-29","22:03:54",""
"7160768","17.1619","0.0013","4.1957","0.0003","17.1569","0.0012","90","","90.993","0.005","90","","1235.22","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6-dimethoxyphenanthrene-3-carbonitrile","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Khandare, Sopan Pralhad; Mandal, Arnab; Patra, Abhijit; Bates, Roderick W.","Donor acceptor phenanthrenes and benzoquinolines: synthesis by C-H activation and their photophysical properties.","Organic & biomolecular chemistry","2025","23","41","9424","9429","10.1039/d5ob01351h","","","1.54178","CuKα","","0.0808","0.0736","","","0.1944","0.2124","","","","","","1.045","","","","has coordinates","303918","2025-11-29","22:03:54",""
"7160769","6.8524","0.0005","17.0457","0.0014","11.034","0.0009","90","","97.613","0.005","90","","1277.45","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","8,9-dimethoxybenzo[h]quinoline","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","2","","Khandare, Sopan Pralhad; Mandal, Arnab; Patra, Abhijit; Bates, Roderick W.","Donor acceptor phenanthrenes and benzoquinolines: synthesis by C-H activation and their photophysical properties.","Organic & biomolecular chemistry","2025","23","41","9424","9429","10.1039/d5ob01351h","","","1.54178","CuKα","","0.0545","0.0493","","","0.1355","0.1423","","","","","","1.057","","","","has coordinates","303918","2025-11-29","22:03:54",""
"7160770","12.021","0.0005","15.33","0.0006","17.4835","0.0007","84.639","0.002","71.705","0.002","85.554","0.002","3041.7","0.2","170","2","170","2","","","","","","","","6","P 1","P 1","1","","","","- C55 H67 Ag3 F18 N6 O2 -","- C55 H67 Ag3 F18 N6 O2 -","- C110 H134 Ag6 F36 N12 O4 -","2","2","","Chen, Xiaochen; Chen, Bao; Xu, Baofu","Phylogeny-directed discovery and mutagenesis of a tricyclic gersemiane synthase.","Organic & biomolecular chemistry","2025","23","42","9635","9643","10.1039/d5ob01208b","","","1.54178","CuKα","","0.0932","0.0857","","","0.2115","0.2266","","","","","","1.084","","","","has coordinates","303923","2025-11-29","22:06:03",""
"7160771","20.296","0.011","12.509","0.007","14.318","0.013","90","","130.66","0.01","90","","2758","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-3-(2-(2-nitrophenyl)-2-oxoethylidene)-3,4-dihydroquinoxalin-2(1H)-one","","- C16 H11 N3 O4 -","- C16 H11 N3 O4 -","- C128 H88 N24 O32 -","8","1","","Mamedov, Vakhid A.; Galimullina, Venera R.; Nikolaeva, Dariya V.; Syakaev, Victor V.; Babaeva, Olga B.; Rizvanov, Il'dar Kh; Gubaidullin, Aidar T.; Sinyashin, Oleg G.","Direct transition-metal-free synthesis of 2-heteroaryl-4-quinolones <i>via</i> ANRORC type rearrangement of 3-(2-(2-nitrophenyl)-2-oxoethyl)quinoxalin-2(1<i>H</i>)-ones.","Organic & biomolecular chemistry","2025","23","41","9388","9399","10.1039/d5ob01303h","","","0.71073","MoKα","","0.1673","0.0992","","","0.2275","0.2897","","","","","","0.953","","","","has coordinates","303915","2025-11-29","22:03:01",""
"7160772","14.5549","0.0017","5.3336","0.0007","17.269","0.002","90","","106.412","0.006","90","","1286","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-3-(2-(2-aminophenyl)-2-oxoethylidene)-3,4-dihydroquinoxalin-2(1H)-one","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C64 H52 N12 O8 -","4","1","","Mamedov, Vakhid A.; Galimullina, Venera R.; Nikolaeva, Dariya V.; Syakaev, Victor V.; Babaeva, Olga B.; Rizvanov, Il'dar Kh; Gubaidullin, Aidar T.; Sinyashin, Oleg G.","Direct transition-metal-free synthesis of 2-heteroaryl-4-quinolones <i>via</i> ANRORC type rearrangement of 3-(2-(2-nitrophenyl)-2-oxoethyl)quinoxalin-2(1<i>H</i>)-ones.","Organic & biomolecular chemistry","2025","23","41","9388","9399","10.1039/d5ob01303h","","","0.71073","MoKα","","0.1259","0.0703","","","0.1378","0.1654","","","","","","1.022","","","","has coordinates","303915","2025-11-29","22:03:02",""
"7160773","7.9238","0.0005","9.7738","0.0006","11.3393","0.0007","96.093","0.002","102.819","0.002","95.935","0.002","844.12","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","spiro[quinoline-2,2?-quinoxaline]","1?,4?-dihydro-1H,3?H-spiro[quinoline-2,2?-quinoxaline]-3?,4(3H)-dione DMSO solvate","","- C18 H19 N3 O3 S -","- C18 H19 N3 O3 S -","- C36 H38 N6 O6 S2 -","2","1","","Mamedov, Vakhid A.; Galimullina, Venera R.; Nikolaeva, Dariya V.; Syakaev, Victor V.; Babaeva, Olga B.; Rizvanov, Il'dar Kh; Gubaidullin, Aidar T.; Sinyashin, Oleg G.","Direct transition-metal-free synthesis of 2-heteroaryl-4-quinolones <i>via</i> ANRORC type rearrangement of 3-(2-(2-nitrophenyl)-2-oxoethyl)quinoxalin-2(1<i>H</i>)-ones.","Organic & biomolecular chemistry","2025","23","41","9388","9399","10.1039/d5ob01303h","","","0.71073","MoKα","","0.0707","0.0549","","","0.1393","0.1532","","","","","","1.041","","","","has coordinates","303915","2025-11-29","22:03:02",""
"7160774","11.75","0.005","7.054","0.005","37.4","0.016","90","","91.7","0.02","90","","3099","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-3-(2-(2-nitrophenyl)-2-oxoethylidene)-3,4-dihydroquinoxalin-2(1H)-one","","- C34 H32 N6 O5 S -","- C34 H32 N6 O5 S -","- C136 H128 N24 O20 S4 -","4","1","","Mamedov, Vakhid A.; Galimullina, Venera R.; Nikolaeva, Dariya V.; Syakaev, Victor V.; Babaeva, Olga B.; Rizvanov, Il'dar Kh; Gubaidullin, Aidar T.; Sinyashin, Oleg G.","Direct transition-metal-free synthesis of 2-heteroaryl-4-quinolones <i>via</i> ANRORC type rearrangement of 3-(2-(2-nitrophenyl)-2-oxoethyl)quinoxalin-2(1<i>H</i>)-ones.","Organic & biomolecular chemistry","2025","23","41","9388","9399","10.1039/d5ob01303h","","","0.71073","MoKα","","0.2769","0.1137","","","0.1802","0.2552","","","","","","0.991","","","","has coordinates","303915","2025-11-29","22:03:02",""
"7160775","10.447","0.003","9.52","0.003","17.134","0.005","90","","97.142","0.012","90","","1690.8","0.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(benzimidazol-2-yl)quinolin-4(1H)-one DMF solvate","","- C19 H18 N4 O2 -","- C19 H18 N4 O2 -","- C76 H72 N16 O8 -","4","1","","Mamedov, Vakhid A.; Galimullina, Venera R.; Nikolaeva, Dariya V.; Syakaev, Victor V.; Babaeva, Olga B.; Rizvanov, Il'dar Kh; Gubaidullin, Aidar T.; Sinyashin, Oleg G.","Direct transition-metal-free synthesis of 2-heteroaryl-4-quinolones <i>via</i> ANRORC type rearrangement of 3-(2-(2-nitrophenyl)-2-oxoethyl)quinoxalin-2(1<i>H</i>)-ones.","Organic & biomolecular chemistry","2025","23","41","9388","9399","10.1039/d5ob01303h","","","0.71073","MoKα","","0.1257","0.0756","","","0.1668","0.197","","","","","","1.013","","","","has coordinates","303915","2025-11-29","22:03:02",""
"7160776","8.3955","0.0003","25.0054","0.0008","8.5374","0.0002","90","","102.982","0.001","90","","1746.47","0.09","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F N2 O -","- C23 H17 F N2 O -","- C92 H68 F4 N8 O4 -","4","1","","Qiu, Shaotong; Mao, Yangxin; Yang, Zhicheng; Liu, Jiangan; Shangguan, Yimin; Wang, Xinlei; Zou, Chun; Zhao, Yun-Hui; Zheng, Baishu; Zhou, Hu","Cu-catalyzed oxygen-transferring hydrazonation of enynones.","Organic & biomolecular chemistry","2025","23","42","9582","9586","10.1039/d5ob01444a","","","0.71073","MoKα","","0.0443","0.0396","","","0.1013","0.1059","","","","","","1.036","","","","has coordinates","303933","2025-11-29","22:08:12",""
"7160777","9.2746","0.0004","10.8766","0.0005","13.2311","0.0006","79.973","0.002","75.93","0.002","69.314","0.002","1205.45","0.1","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N2 O4 S -","- C28 H24 N2 O4 S -","- C56 H48 N4 O8 S2 -","2","1","","Qiu, Shaotong; Mao, Yangxin; Yang, Zhicheng; Liu, Jiangan; Shangguan, Yimin; Wang, Xinlei; Zou, Chun; Zhao, Yun-Hui; Zheng, Baishu; Zhou, Hu","Cu-catalyzed oxygen-transferring hydrazonation of enynones.","Organic & biomolecular chemistry","2025","23","42","9582","9586","10.1039/d5ob01444a","","","0.71073","MoKα","","0.0399","0.0375","","","0.1005","0.1028","","","","","","1.06","","","","has coordinates","303933","2025-11-29","22:08:13",""
"7160778","19.4895","0.0005","9.9097","0.0002","9.9731","0.0003","90","","90.899","0.003","90","","1925.92","0.09","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H18 N4 O2 S -","- C22 H18 N4 O2 S -","- C88 H72 N16 O8 S4 -","4","1","","Gilmer, Selena C. L.; Vernall, Andrea J.","Bioorthogonal fluorogenic chemistry using a light-activated tetrazine.","Organic & biomolecular chemistry","2025","23","41","9361","9367","10.1039/d5ob01476j","","","1.54184","CuKα","","0.0671","0.0661","","","0.1851","0.186","","","","","","1.031","","","","has coordinates","303917","2025-11-29","22:03:29",""
"7160779","13.0817","0.0018","21.482","0.003","8.3972","0.0013","90","","95.402","0.004","90","","2349.3","0.6","300","2","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cl N O4 -","- C27 H24 Cl N O4 -","- C108 H96 Cl4 N4 O16 -","4","1","","Suresh, Sundararajan; Nawaz Khan, Fazlur Rahman","Synthesis and late-stage C-H functionalization of papaverines.","Organic & biomolecular chemistry","2025","23","37","8431","8436","10.1039/d5ob01155h","","","0.71073","MoKα","","0.1635","0.0665","","","0.1766","0.2505","","","","","","0.998","","","","has coordinates","302387","2025-10-05","15:06:44",""
"7160780","17.9007","0.0002","10.2555","0.0001","27.1733","0.0003","90","","90","","90","","4988.49","0.09","172","1","172","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H26 O3 -","- C34 H26 O3 -","- C272 H208 O24 -","8","1","","Bu, Shixuan; Wang, Haoran; Wang, Sunewang R.","Expedient regioselective synthesis of all-different tetraaryl furans.","Organic & biomolecular chemistry","2025","23","42","9602","9607","10.1039/d5ob01484k","","x-ray","1.54184","CuKα","","0.0437","0.0387","","","0.0985","0.1022","","","","","","1.036","","","","has coordinates","303925","2025-11-29","22:06:23",""
"7160781","5.9069","0.0002","28.0225","0.0008","15.8563","0.0004","90","","93.222","0.003","90","","2620.48","0.13","172.95","0.11","172.95","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 Br Cl O2 -","- C35 H22 Br Cl O2 -","- C140 H88 Br4 Cl4 O8 -","4","1","","Bu, Shixuan; Wang, Haoran; Wang, Sunewang R.","Expedient regioselective synthesis of all-different tetraaryl furans.","Organic & biomolecular chemistry","2025","23","42","9602","9607","10.1039/d5ob01484k","","x-ray","1.54184","CuKα","","0.0809","0.0742","","","0.202","0.2055","","","","","","1.134","","","","has coordinates","303925","2025-11-29","22:06:23",""
"7160782","11.314","0.004","17.847","0.006","14.475","0.005","90","","106.533","0.01","90","","2802","1.7","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Cl Mo O2 P2 -","- C31 H29 Cl Mo O2 P2 -","- C124 H116 Cl4 Mo4 O8 P8 -","4","1","","Atreya, Vaishnavi; Sil, Anirban; Sil, Debangsu; Chakraborty, Subrata","A molybdenum-catalyzed acceptorless dehydrogenative approach for quinoline synthesis using amino alcohol.","Organic & biomolecular chemistry","2025","23","44","10118","10126","10.1039/d5ob01409c","","","0.71073","MoKα","","0.0545","0.0402","","","0.0763","0.0825","","","","","","1.083","","","","has coordinates","303901","2025-11-29","21:59:02",""
"7160783","16.683","0.002","8.496","0.001","20.119","0.002","90","","90.388","0.004","90","","2851.6","0.6","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 Cl Mo O2 P2 -","- C32 H31 Cl Mo O2 P2 -","- C128 H124 Cl4 Mo4 O8 P8 -","4","1","","Atreya, Vaishnavi; Sil, Anirban; Sil, Debangsu; Chakraborty, Subrata","A molybdenum-catalyzed acceptorless dehydrogenative approach for quinoline synthesis using amino alcohol.","Organic & biomolecular chemistry","2025","23","44","10118","10126","10.1039/d5ob01409c","","","0.71073","MoKα","","0.0954","0.0526","","","0.1072","0.118","","","","","","1.082","","","","has coordinates","303901","2025-11-29","21:59:02",""
"7160784","7.3506","0.0011","9.0318","0.0012","11.0779","0.0017","77.137","0.004","72.363","0.004","83.642","0.004","682.55","0.17","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H1.86 F0.43 N0.29 O0.14 -","- C2 H1.85714 F0.428571 N0.285714 O0.142857 -","- C28 H26 F6 N4 O2 -","14","7","","Zhang, Zhanshuo; Dong, Yangkai; Liu, Yaxin; Fang, Jingrui; Li, Yuchen; Xu, Zeya; Zhao, Yulei","Selective electrochemical trifluoromethylation of arylamide- or aryl-substituted pyrrole derivatives.","Organic & biomolecular chemistry","2025","23","42","9713","9721","10.1039/d5ob01482d","","","0.71073","MoKα","","0.0981","0.0559","","","0.1468","0.1747","","","","","","1.008","","","","has coordinates","303930","2025-11-29","22:07:35",""
"7160785","15.597","0.0001","15.597","0.0001","26.0546","0.0003","90","","90","","90","","6338.21","0.09","149.99","0.1","149.99","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C19 H15 F3 N2 -","- C19 H15 F3 N2 -","- C304 H240 F48 N32 -","16","1","","Lv, Yuyu; Deng, Zhoubin; Zhu, Zhijun; Hai, Xiaopeng; Wang, Junjiao; Wang, Ke-Hu; Huang, Danfeng; Hu, Yulai","Photo-induced radical trifluoromethylation/dearomatization of 3-substituted indoles.","Organic & biomolecular chemistry","2025","23","42","9658","9667","10.1039/d5ob01103e","","x-ray","1.54184","CuKα","","0.0451","0.0402","","","0.0973","0.1007","","","","","","1.058","","","","has coordinates,has disorder","303929","2025-11-29","22:07:16",""
"7160786","16.789","0.0002","10.8347","0.0001","15.9281","0.0002","90","","118.179","0.001","90","","2553.97","0.06","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 Cl2 N18 O -","- C12 H24 Cl2 N18 O -","- C48 H96 Cl8 N72 O4 -","4","0.5","","Sun, Huanyu; Zeng, Zhiwei; Chen, Chunhui; Mai, Xiancheng; Wang, Jia; Huang, Wei; Tang, Yongxing; Liu, Yuji","Design, synthesis and characterization of a carbonyl-containing high-density pyrazolotriazine-based energetic compound.","Organic & biomolecular chemistry","2025","23","42","9652","9657","10.1039/d5ob01264c","","","1.54178","CuKα","","0.0726","0.0711","","","0.213","0.2141","","","","","","1.103","","","","has coordinates","303935","2025-11-29","22:08:47",""
"7160787","27.8616","0.0003","27.8832","0.0003","44.8177","0.0007","90","","99.344","0.001","90","","34355.6","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H60 Si4 Sn -","- C42 H60 Si4 Sn -","- C1344 H1920 Si128 Sn32 -","32","4","","Sun, Huanyu; Zeng, Zhiwei; Chen, Chunhui; Mai, Xiancheng; Wang, Jia; Huang, Wei; Tang, Yongxing; Liu, Yuji","Design, synthesis and characterization of a carbonyl-containing high-density pyrazolotriazine-based energetic compound.","Organic & biomolecular chemistry","2025","23","42","9652","9657","10.1039/d5ob01264c","","x-ray","1.54184","CuKα","K-L~2,3~","0.1007","0.0732","","","0.1795","0.192","","","","","","1.042","","","","has coordinates,has disorder","303935","2025-11-29","22:08:48",""
"7160788","25.0565","0.001","12.0044","0.0005","18.4091","0.0008","90","","119.657","0.002","90","","4811.9","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C14Ph(OH)2cage","C14Ph(OH)2cage","","- C48 H88 O2 Si2 -","- C48 H88 O2 Si2 -","- C192 H352 O8 Si8 -","4","0.5","","Kishii, Hyu; Inagaki, Yusuke; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru","Tuning rotational barriers through substituent modification in catechol-diyl molecular gyrotops.","Organic & biomolecular chemistry","2025","23","44","10100","10105","10.1039/d5ob01474c","","","1.54178","CuKα","","0.1369","0.1201","","","0.3672","0.3871","","","","","","1.586","","","","has coordinates,has disorder","303902","2025-11-29","21:59:21",""
"7160789","12.0393","0.0004","13.6446","0.0005","19.0933","0.0008","71.11","0.002","85.826","0.002","63.846","0.002","2654.68","0.18","200","2","200","2","","","","","","","","4","P -1","-P 1","2","C14Ph(OEt)2cage","C14Ph(OEt)2cage","","- C52 H96 O2 Si2 -","- C52 H96 O2 Si2 -","- C104 H192 O4 Si4 -","2","1","","Kishii, Hyu; Inagaki, Yusuke; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru","Tuning rotational barriers through substituent modification in catechol-diyl molecular gyrotops.","Organic & biomolecular chemistry","2025","23","44","10100","10105","10.1039/d5ob01474c","","","1.54178","CuKα","","0.1683","0.1344","","","0.3835","0.412","","","","","","1.517","","","","has coordinates,has disorder","303902","2025-11-29","21:59:31",""
"7160790","11.9574","0.0003","20.9583","0.0006","23.0968","0.0006","114.71","0.001","90.616","0.001","104.521","0.001","5046.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","C14Ph(OMe)2cage","C14Ph(OMe)2cage","","- C50 H92 O2 Si2 -","- C50 H92 O2 Si2 -","- C200 H368 O8 Si8 -","4","2","","Kishii, Hyu; Inagaki, Yusuke; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru","Tuning rotational barriers through substituent modification in catechol-diyl molecular gyrotops.","Organic & biomolecular chemistry","2025","23","44","10100","10105","10.1039/d5ob01474c","","","1.54178","CuKα","","0.0637","0.0551","","","0.1409","0.1474","","","","","","1.013","","","","has coordinates,has disorder","303902","2025-11-29","21:59:31",""
"7160791","10.3039","0.0002","7.8473","0.0001","37.4016","0.0006","90","","90","","90","","3024.21","0.09","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1R,2S,3S)-1-phenyl-2-(thiophene-2-carbonyl)spiro[2.5]oct-7-en-4-one","","- C19 H16 O2 S -","- C19 H16 O2 S -","- C152 H128 O16 S8 -","8","1","","Li, Zheng-Yan; Zheng, Xing; Ma, Yi-Na; Yuan, Mingwei; Zhang, Yin; Jiang, Lin; Yuan, Minglong","Diastereoselective spirocyclopropanation of (<i>E</i>)-2-ylidene-3-cyclohexenones and sulfur ylides.","Organic & biomolecular chemistry","2025","23","42","9592","9596","10.1039/d5ob01383f","","","1.54178","CuKα","","0.0568","0.0502","","","0.1468","0.1529","","","","","","1.064","","","","has coordinates","303924","2025-11-29","22:06:11",""
"7160792","10.2316","0.0005","28.9675","0.0015","10.4047","0.0005","90","","101.559","0.007","90","","3021.2","0.3","100","","100","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 -","- C21 H20 -","- C168 H160 -","8","2","","Shoji, Taku; Yamazaki, Akari; Yoshida, Miku; Yasunami Deceased, Masafumi; Mori, Shigeki; Okujima, Tetsuo; Kamayachi, Takumi; Uchiyama, Ikumi; Sekiguchi, Ryuta; Ito, Shunji","Synthesis of naphth[2,1-<i>a</i>]azulenes <i>via</i> [8 + 2] cycloaddition of 2<i>H</i>-cyclohepta[<i>b</i>]furan-2-ones, and their reactivity, optical, and structural properties.","Organic & biomolecular chemistry","2025","23","44","10088","10099","10.1039/d5ob01492a","","x-ray","1.5418","CuKα","","0.0842","0.0592","","","0.1633","0.1775","","","","","","1.042","","","","has coordinates,has disorder","303899","2025-11-29","21:58:36",""
"7160793","9.8266","0.0003","9.7071","0.0003","18.4968","0.0006","90","","96.814","0.003","90","","1751.91","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 F3 O -","- C23 H17 F3 O -","- C92 H68 F12 O4 -","4","1","","Shoji, Taku; Yamazaki, Akari; Yoshida, Miku; Yasunami Deceased, Masafumi; Mori, Shigeki; Okujima, Tetsuo; Kamayachi, Takumi; Uchiyama, Ikumi; Sekiguchi, Ryuta; Ito, Shunji","Synthesis of naphth[2,1-<i>a</i>]azulenes <i>via</i> [8 + 2] cycloaddition of 2<i>H</i>-cyclohepta[<i>b</i>]furan-2-ones, and their reactivity, optical, and structural properties.","Organic & biomolecular chemistry","2025","23","44","10088","10099","10.1039/d5ob01492a","","x-ray","0.71073","MoKα","","0.0593","0.0445","","","0.0993","0.1056","","","","","","1.038","","","","has coordinates","303899","2025-11-29","21:58:37",""
"7160794","13.605","0.0006","20.2182","0.0011","6.4271","0.0004","90","","90","","90","","1767.89","0.17","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C100 H72 N8 -","4","1","","Shoji, Taku; Yamazaki, Akari; Yoshida, Miku; Yasunami Deceased, Masafumi; Mori, Shigeki; Okujima, Tetsuo; Kamayachi, Takumi; Uchiyama, Ikumi; Sekiguchi, Ryuta; Ito, Shunji","Synthesis of naphth[2,1-<i>a</i>]azulenes <i>via</i> [8 + 2] cycloaddition of 2<i>H</i>-cyclohepta[<i>b</i>]furan-2-ones, and their reactivity, optical, and structural properties.","Organic & biomolecular chemistry","2025","23","44","10088","10099","10.1039/d5ob01492a","","x-ray","0.71073","MoKα","","0.0952","0.0561","","","0.0931","0.104","","","","","","1.016","","","","has coordinates","303899","2025-11-29","21:58:37",""
"7160795","6.1306","0.0002","10.2833","0.0004","19.6907","0.0008","102.566","0.003","96.09","0.003","96.304","0.003","1193.44","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H20 Cl2 N2 -","- C31 H20 Cl2 N2 -","- C62 H40 Cl4 N4 -","2","1","","Shoji, Taku; Yamazaki, Akari; Yoshida, Miku; Yasunami Deceased, Masafumi; Mori, Shigeki; Okujima, Tetsuo; Kamayachi, Takumi; Uchiyama, Ikumi; Sekiguchi, Ryuta; Ito, Shunji","Synthesis of naphth[2,1-<i>a</i>]azulenes <i>via</i> [8 + 2] cycloaddition of 2<i>H</i>-cyclohepta[<i>b</i>]furan-2-ones, and their reactivity, optical, and structural properties.","Organic & biomolecular chemistry","2025","23","44","10088","10099","10.1039/d5ob01492a","","x-ray","0.71073","MoKα","","0.0864","0.0604","","","0.1374","0.1507","","","","","","1.072","","","","has coordinates,has disorder","303899","2025-11-29","21:58:37",""
"7160796","11.2176","0.0006","5.5152","0.0002","12.5147","0.0005","90","","95.549","0.004","90","","770.62","0.06","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C22 H20 -","- C22 H20 -","- C44 H40 -","2","1","","Shoji, Taku; Yamazaki, Akari; Yoshida, Miku; Yasunami Deceased, Masafumi; Mori, Shigeki; Okujima, Tetsuo; Kamayachi, Takumi; Uchiyama, Ikumi; Sekiguchi, Ryuta; Ito, Shunji","Synthesis of naphth[2,1-<i>a</i>]azulenes <i>via</i> [8 + 2] cycloaddition of 2<i>H</i>-cyclohepta[<i>b</i>]furan-2-ones, and their reactivity, optical, and structural properties.","Organic & biomolecular chemistry","2025","23","44","10088","10099","10.1039/d5ob01492a","","x-ray","0.71073","MoKα","","0.0866","0.0665","","","0.1622","0.1751","","","","","","1.072","","","","has coordinates","303899","2025-11-29","21:58:37",""
"7160797","7.1229","0.0002","16.1313","0.0005","16.9176","0.0005","90","","90","","90","","1943.86","0.1","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C104 H80 N8 O4 -","4","1","","Shoji, Taku; Yamazaki, Akari; Yoshida, Miku; Yasunami Deceased, Masafumi; Mori, Shigeki; Okujima, Tetsuo; Kamayachi, Takumi; Uchiyama, Ikumi; Sekiguchi, Ryuta; Ito, Shunji","Synthesis of naphth[2,1-<i>a</i>]azulenes <i>via</i> [8 + 2] cycloaddition of 2<i>H</i>-cyclohepta[<i>b</i>]furan-2-ones, and their reactivity, optical, and structural properties.","Organic & biomolecular chemistry","2025","23","44","10088","10099","10.1039/d5ob01492a","","x-ray","0.71073","MoKα","","0.0614","0.0512","","","0.1155","0.1218","","","","","","1.108","","","","has coordinates","303899","2025-11-29","21:58:37",""
"7160798","8.146","0.004","17.38","0.008","7.782","0.004","90","","92.193","0.019","90","","1100.9","0.9","152","2","152","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O3 -","- C13 H9 N O3 -","- C52 H36 N4 O12 -","4","1","","Rajat, ?; Jain, Nidhi","Transition-metal and photocatalyst-free oxidative cleavage of aryl alkynes with PIDA/iminoiodinanes in visible light.","Organic & biomolecular chemistry","2025","23","45","10363","10369","10.1039/d5ob01318f","","","0.71073","MoKα","","0.1289","0.0845","","","0.2256","0.2657","","","","","","0.996","","","","has coordinates","303964","2025-11-29","22:15:10",""
"7160799","7.5261","0.0007","13.4983","0.0009","10.0289","0.0008","90","","90","","90","","1018.83","0.14","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","methyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate","","- C2.286 H2.286 N0.571 O0.571 S0.571 -","- C2.28571 H2.28571 N0.571429 O0.571429 S0.571429 -","- C32 H32 N8 O8 S8 -","14","3.5","","Chahal, Mohit; Shaw, Ranjay; Yadav, Pratik; Bhardwaj, Vishnu; Althagafi, Ismail; Pratap, Ramendra","A green and cascade synthesis of functionalized 2-aminothiophenes from ketene dithioacetals.","Organic & biomolecular chemistry","2025","23","44","10106","10117","10.1039/d5ob01121c","","x-ray","0.71073","MoKα","","0.0389","0.0332","","","0.0844","0.0889","","","","","","1.0491","","","","has coordinates","303904","2025-11-29","22:00:03",""
"7160800","7.938","0.0005","8.4101","0.0004","10.0296","0.0006","105.928","0.005","93.244","0.005","111.848","0.006","588.09","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","methyl 3-amino-4-cyano-5-(pyrrolidin-1-yl)thiophene-2-carboxylate","","- C2.75 H3.25 N0.75 O0.5 S0.25 -","- C2.75 H3.25 N0.75 O0.5 S0.25 -","- C22 H26 N6 O4 S2 -","8","4","","Chahal, Mohit; Shaw, Ranjay; Yadav, Pratik; Bhardwaj, Vishnu; Althagafi, Ismail; Pratap, Ramendra","A green and cascade synthesis of functionalized 2-aminothiophenes from ketene dithioacetals.","Organic & biomolecular chemistry","2025","23","44","10106","10117","10.1039/d5ob01121c","","x-ray","0.71073","MoKα","","0.0745","0.0519","","","0.1386","0.1521","","","","","","1.0626","","","","has coordinates","303904","2025-11-29","22:00:05",""
"7160801","13.8922","0.0008","19.2825","0.0011","7.2587","0.0004","90","","105.111","0.006","90","","1877.2","0.19","293","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl 4-cyano-3-hydroxy-5-morpholinothiophene-2-carboxylate","","- C1.288 H1.906 N0.246 O0.397 S0.075 -","- C1.20755 H1.73585 N0.226415 O0.377358 S0.0754717 -","- C64 H92 N12 O20 S4 -","53","13.25","","Chahal, Mohit; Shaw, Ranjay; Yadav, Pratik; Bhardwaj, Vishnu; Althagafi, Ismail; Pratap, Ramendra","A green and cascade synthesis of functionalized 2-aminothiophenes from ketene dithioacetals.","Organic & biomolecular chemistry","2025","23","44","10106","10117","10.1039/d5ob01121c","","x-ray","0.71073","MoKα","","0.0641","0.0484","","","0.1346","0.1444","","","","","","1.0738","","","","has coordinates","303904","2025-11-29","22:00:06",""
"7160802","8.9257","0.0017","15.649","0.012","9.9843","0.0014","90","","111.46","0.018","90","","1297.9","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O2 S -","- C12 H15 N3 O2 S -","- C48 H60 N12 O8 S4 -","4","1","","Chahal, Mohit; Shaw, Ranjay; Yadav, Pratik; Bhardwaj, Vishnu; Althagafi, Ismail; Pratap, Ramendra","A green and cascade synthesis of functionalized 2-aminothiophenes from ketene dithioacetals.","Organic & biomolecular chemistry","2025","23","44","10106","10117","10.1039/d5ob01121c","","","0.71073","MoKα","","0.0811","0.0645","","","0.1797","0.1968","","","","","","1.039","","","","has coordinates","303904","2025-11-29","22:00:06",""
"7160803","6.24","0.0015","9.81","0.002","17.335","0.004","90","","93.269","0.008","90","","1059.4","0.4","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H34 N2 O3 -","- C20 H34 N2 O3 -","- C40 H68 N4 O6 -","2","1","","Rakesh, Goparaju; Vinaykumar, Allam; Soniya, Dommati; Sridhar, B.; Subba Reddy, B. V.","Ugi three-component coupling strategy for the synthesis of bridged bicyclic iminosugars.","Organic & biomolecular chemistry","2025","23","45","10311","10314","10.1039/d5ob01246e","","","0.71073","MoKα","","0.0506","0.0371","","","0.0895","0.0969","","","","","","1.022","","","","has coordinates,has disorder","303967","2025-11-29","22:15:35",""
"7160804","11.1446","0.0005","21.5935","0.0009","11.7689","0.0005","90","","111.229","0.002","90","","2640","0.2","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26.85 H20.85 Cl2.56 F N3 O3 -","- C26.855 H20.855 Cl2.565 F N3 O3 -","- C107.42 H83.42 Cl10.26 F4 N12 O12 -","4","1","","Vashishtha, Kirti; Chahal, Kapil; Bhoi, Namita; Tomy, Donamol; Sridhar, Balasubramanian; Alla, Manjula; Reddy, Kallu Rajender","Silver-catalyzed synthesis of polyfunctionalized 1,7- and 2,7-benzonaphthyridine scaffolds and access to perlolidine derivatives.","Organic & biomolecular chemistry","2025","23","42","9677","9682","10.1039/d5ob01410g","","","0.71073","MoKα","","0.1217","0.0692","","","0.1962","0.2489","","","","","","1.027","","","","has coordinates","303934","2025-11-29","22:08:23",""
"7160805","20.011","0.0011","12.3985","0.0006","8.1582","0.0005","90","","92.684","0.002","90","","2021.88","0.19","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 F N2 O2 -","- C25 H17 F N2 O2 -","- C100 H68 F4 N8 O8 -","4","1","","Vashishtha, Kirti; Chahal, Kapil; Bhoi, Namita; Tomy, Donamol; Sridhar, Balasubramanian; Alla, Manjula; Reddy, Kallu Rajender","Silver-catalyzed synthesis of polyfunctionalized 1,7- and 2,7-benzonaphthyridine scaffolds and access to perlolidine derivatives.","Organic & biomolecular chemistry","2025","23","42","9677","9682","10.1039/d5ob01410g","","","0.71073","MoKα","","0.0695","0.0459","","","0.1189","0.1319","","","","","","1.035","","","","has coordinates","303934","2025-11-29","22:08:24",""
"7160806","18.752","0.004","11.319","0.002","8.2409","0.0019","90","","95.542","0.006","90","","1741","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C76 H84 N4 O8 S4 -","4","1","","Chang, Meng-Ran; Wu, Yu-Xi; Li, He-Yi; Li, Yao-Yao; Cui, Jing-Jing; Chi, Ru-An; Guan, Zhi-Peng; Han, Qing-Wen; Dong, Zhi-Bing","TBAI-promoted synthesis of thioenamines <i>via</i> C-S bond formation between enaminones and thiosulfonates.","Organic & biomolecular chemistry","2025","23","44","10194","10199","10.1039/d5ob01371b","","","0.71073","MoKα","","0.1461","0.0709","","","0.1357","0.1625","","","","","","1.02","","","","has coordinates","303907","2025-11-29","22:00:48",""
"7160807","17.7167","0.0002","23.6309","0.0002","30.1749","0.0003","90","","90","","90","","12633.1","0.2","100","0.1","100","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C66 H53 B2 Cl8 Co2 F2 N5 O7 -","- C66 H53 B2 Cl8 Co2 F2 N5 O7 -","- C528 H424 B16 Cl64 Co16 F16 N40 O56 -","8","1","","Harders, Patrick; Raeker, Tim; Pietsch, Lorenz; Näther, Christian; Hartke, Bernd; McConnell, Anna J.","Diastereoselective amidoboronate formation and transformation from a <i>rac</i> to a different <i>meso</i> amidoboronate <i>via</i> dynamic C-C bonds.","Organic & biomolecular chemistry","2025","23","44","10174","10185","10.1039/d5ob01479d","","x-ray","1.54184","CuKα","","0.0612","0.0577","","","0.1591","0.1616","","","","","","1.059","","","","has coordinates","303895","2025-11-29","21:57:43",""
"7160808","10.93061","0.00014","15.2964","0.00015","10.61622","0.00012","90","","116.817","0.0015","90","","1584.11","0.04","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 B Cl F N O2 -","- C19 H12 B Cl F N O2 -","- C76 H48 B4 Cl4 F4 N4 O8 -","4","1","","Harders, Patrick; Raeker, Tim; Pietsch, Lorenz; Näther, Christian; Hartke, Bernd; McConnell, Anna J.","Diastereoselective amidoboronate formation and transformation from a <i>rac</i> to a different <i>meso</i> amidoboronate <i>via</i> dynamic C-C bonds.","Organic & biomolecular chemistry","2025","23","44","10174","10185","10.1039/d5ob01479d","","x-ray","1.54184","CuKα","","0.0297","0.0289","","","0.0788","0.0793","","","","","","1.072","","","","has coordinates","303895","2025-11-29","21:57:44",""
"7160809","8.59214","0.00009","10.16779","0.0001","11.84606","0.00013","81.7111","0.0009","73.4913","0.0009","83.7735","0.0008","979.393","0.018","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H11 B Cl4 F N O3 -","- C20 H11 B Cl4 F N O3 -","- C40 H22 B2 Cl8 F2 N2 O6 -","2","1","","Harders, Patrick; Raeker, Tim; Pietsch, Lorenz; Näther, Christian; Hartke, Bernd; McConnell, Anna J.","Diastereoselective amidoboronate formation and transformation from a <i>rac</i> to a different <i>meso</i> amidoboronate <i>via</i> dynamic C-C bonds.","Organic & biomolecular chemistry","2025","23","44","10174","10185","10.1039/d5ob01479d","","x-ray","1.54184","CuKα","","0.0232","0.0231","","","0.0606","0.0607","","","","","","1.073","","","","has coordinates","303895","2025-11-29","21:57:44",""
"7160810","45.0958","0.0004","5.9133","0.0001","11.8836","0.0001","90","","90.955","0.001","90","","3168.5","0.07","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C34 H53 N O4 -","- C34 H53 N O4 -","- C136 H212 N4 O16 -","4","1","","Mo, Shuyuan; Yang, Jian; Zhao, Jie; Wang, Jianping; Zhang, Yonghui; Hu, Zhengxi","Trichosterol A, a unique 6/6/6/5/6-fused steroid-alkaloid hybrid with bioherbicidal activity from <i>Trichoderma koningiopsis</i>.","Organic & biomolecular chemistry","2025","23","45","10280","10284","10.1039/d5ob01352f","","","1.54178","CuKα","","0.0342","0.0324","","","0.0814","0.0826","","","","","","1.059","","","","has coordinates,has disorder","303959","2025-11-29","22:14:13",""
"7160811","10.4888","0.0002","5.6756","0.0001","28.1025","0.0006","90","","97.004","0.001","90","","1660.46","0.06","193","","193","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","1","","Yang, Xiao-Ye; Huang, Hua; Wu, Qiong; Tan, Yun-Xuan; Tian, Ping","Synthesis of hexahydroisobenzofuran-1(3<i>H</i>)-ones <i>via</i> pyridine-boryl radical-catalyzed intramolecular cascade cyclization of alkene-tethered cyclobutyl ketones.","Organic & biomolecular chemistry","2025","23","44","10057","10061","10.1039/d5ob01566a","","x-ray","1.54178","CuKα","","0.0657","0.0544","","","0.1345","0.1407","","","","","","1.128","","","","has coordinates","303905","2025-11-29","22:00:21",""
"7160812","11.4404","0.0009","5.6542","0.0004","13.137","0.0009","90","","103.208","0.006","90","","827.3","0.11","193","","193","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C42 H40 O6 -","2","1","","Yang, Xiao-Ye; Huang, Hua; Wu, Qiong; Tan, Yun-Xuan; Tian, Ping","Synthesis of hexahydroisobenzofuran-1(3<i>H</i>)-ones <i>via</i> pyridine-boryl radical-catalyzed intramolecular cascade cyclization of alkene-tethered cyclobutyl ketones.","Organic & biomolecular chemistry","2025","23","44","10057","10061","10.1039/d5ob01566a","","","1.54178","CuKα","","0.0576","0.0415","","","0.0944","0.0998","","","","","","1.077","","","","has coordinates","303905","2025-11-29","22:00:25",""
"7160813","21.821","0.009","8.608","0.003","8.127","0.004","90","","95.229","0.017","90","","1520.2","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Li, Xin; Zhang, Yu; Zhang, Yu-Ying; Si, Chang-Mei; Wang, Qiao-E; Wei, Bang-Guo","Synthesis of tetrahydropyrrolo[1,2-<i>a</i>]quinolinone analogues <i>via</i> CoCl<sub>2</sub>/AgSbF<sub>6</sub>-catalyzed cyclization of unactivated <i>N</i>,<i>O</i>-acetals with olefins.","Organic & biomolecular chemistry","2025","23","44","10200","10213","10.1039/d5ob01374g","","","1.54184","CuKα","","0.116","0.0924","","","0.2725","0.2937","","","","","","0.952","","","","has coordinates","303896","2025-11-29","21:57:55",""
"7160814","7.1512","0.0004","11.1221","0.0006","9.7789","0.0005","90","","105.442","0.003","90","","749.7","0.07","301","2","301","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl N O -","- C18 H16 Cl N O -","- C36 H32 Cl2 N2 O2 -","2","1","","Li, Xin; Zhang, Yu; Zhang, Yu-Ying; Si, Chang-Mei; Wang, Qiao-E; Wei, Bang-Guo","Synthesis of tetrahydropyrrolo[1,2-<i>a</i>]quinolinone analogues <i>via</i> CoCl<sub>2</sub>/AgSbF<sub>6</sub>-catalyzed cyclization of unactivated <i>N</i>,<i>O</i>-acetals with olefins.","Organic & biomolecular chemistry","2025","23","44","10200","10213","10.1039/d5ob01374g","","","1.54178","CuKα","","0.0458","0.0403","","","0.1021","0.1062","","","","","","1.054","","","","has coordinates","303896","2025-11-29","21:57:56",""
"7160815","13.2","0.0002","15.005","0.0002","18.9581","0.0003","87.004","0.001","75.633","0.002","82.273","0.001","3603.8","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H98 Au2 N6 O2 -","- C80 H98 Au2 N6 O2 -","- C160 H196 Au4 N12 O4 -","2","1","","Ruggiero, Tommaso; Fortwengler, James; Van Hecke, Kristof; Thompson, Mark E.; Heugebaert, Thomas S. A.; Nolan, Steven P.","Digold photosensitizer for visible light [2 + 2] cycloaddition and <i>E</i>/<i>Z</i> isomerization reactions.","Organic & biomolecular chemistry","2025","23","44","10143","10149","10.1039/d5ob01503k","","","0.71073","MoKα","","0.0672","0.0401","","","0.074","0.0832","","","","","","1.038","","","","has coordinates,has disorder","303900","2025-11-29","21:58:49",""
"7160816","18.9318","0.0014","11.3071","0.0006","15.6112","0.001","90","","121.523","0.007","90","","2848.6","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H9 Br N2 O2 -","- C17 H9 Br N2 O2 -","- C136 H72 Br8 N16 O16 -","8","1","","Liu, Miao; Zhang, Xueying; Li, Nan; Zhang, Xu; Zhao, Congyong; Shen, Xiaobao; Zhai, Hongbin; Wu, Fufang","Catalyst-free C-H bond halogenation/imidation of N-heterocycles.","Organic & biomolecular chemistry","2025","23","44","10072","10076","10.1039/d5ob01463h","","x-ray","0.71073","MoKα","","0.0803","0.0522","","","0.112","0.12","","","","","","1.035","","","","has coordinates,has disorder","303903","2025-11-29","21:59:44",""
"7160817","8.6368","0.0002","11.618","0.0003","22.8872","0.0006","90","","90","","90","","2296.56","0.1","220","2","220","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O2 S -","- C25 H32 O2 S -","- C100 H128 O8 S4 -","4","1","","Ou, Zhi-Xiong; Zhang, Bu-Hong; Song, Jia-Xin; Li, Li-Bo; Wang, Xing-Wang","Palladium-catalyzed asymmetric propargylic sulfonylation of propargyl esters with sulfonyl hydrazides.","Organic & biomolecular chemistry","2025","23","46","10479","10487","10.1039/d5ob01408e","","","0.71073","MoKα","","0.0461","0.0381","","","0.1115","0.1234","","","","","","0.878","","","","has coordinates","303946","2025-11-29","22:10:54",""
"7160818","10.6695","0.0002","9.7859","0.0002","11.9081","0.0003","90","","113.892","0.003","90","","1136.79","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-chloro-N'-(pyridin-2-yloxy)benzimidamide","","- C12 H10 Cl N3 O -","- C12 H10 Cl N3 O -","- C48 H40 Cl4 N12 O4 -","4","1","","Solodyankina, Olga V.; Baykova, Svetlana O.; Baykov, Sergey V.; Togyzbayeva, Nurila; Zhussupova, Leilya; Novikov, Mikhail S.; Turmanov, Rakhymzhan; Boyarskiy, Vadim P.","Access to 4-(pyridin-2-yloxy)-1,2,4-thiadiazol-5(4<i>H</i>)-ones <i>via</i> an amidoxime O-heteroarylation/cyclization reaction sequence.","Organic & biomolecular chemistry","2025","23","45","10398","10407","10.1039/d5ob01387a","","x-ray","1.54184","CuKα","","0.0389","0.0352","","","0.0961","0.0988","","","","","","1.075","","","","has coordinates","303962","2025-11-29","22:14:51",""
"7160819","27.1298","0.0012","6.4573","0.0002","8.0989","0.0003","90","","114.245","0.005","90","","1293.67","0.1","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","3-(3-chlorophenyl)-4-(pyridin-2-yloxy)-1,2,4-thiadiazol-5(4H)-one","","- C13 H8 Cl N3 O2 S -","- C13 H8 Cl N3 O2 S -","- C52 H32 Cl4 N12 O8 S4 -","4","1","","Solodyankina, Olga V.; Baykova, Svetlana O.; Baykov, Sergey V.; Togyzbayeva, Nurila; Zhussupova, Leilya; Novikov, Mikhail S.; Turmanov, Rakhymzhan; Boyarskiy, Vadim P.","Access to 4-(pyridin-2-yloxy)-1,2,4-thiadiazol-5(4<i>H</i>)-ones <i>via</i> an amidoxime O-heteroarylation/cyclization reaction sequence.","Organic & biomolecular chemistry","2025","23","45","10398","10407","10.1039/d5ob01387a","","x-ray","1.54184","CuKα","","0.0538","0.0513","","","0.1357","0.1374","","","","","","1.037","","","","has coordinates,has disorder","303962","2025-11-29","22:14:53",""
"7160820","21.1399","0.0003","6.2141","0.0001","21.7378","0.0003","90","","93.627","0.001","90","","2849.88","0.07","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N'-([2,2'-bipyridin]-6-yloxy)benzimidamide","","- C17 H14 N4 O -","- C17 H14 N4 O -","- C136 H112 N32 O8 -","8","1","","Solodyankina, Olga V.; Baykova, Svetlana O.; Baykov, Sergey V.; Togyzbayeva, Nurila; Zhussupova, Leilya; Novikov, Mikhail S.; Turmanov, Rakhymzhan; Boyarskiy, Vadim P.","Access to 4-(pyridin-2-yloxy)-1,2,4-thiadiazol-5(4<i>H</i>)-ones <i>via</i> an amidoxime O-heteroarylation/cyclization reaction sequence.","Organic & biomolecular chemistry","2025","23","45","10398","10407","10.1039/d5ob01387a","","x-ray","1.54184","CuKα","","0.0441","0.0424","","","0.1142","0.1161","","","","","","1.068","","","","has coordinates","303962","2025-11-29","22:14:53",""
"7160821","10.2378","0.0001","10.2378","0.0001","10.7057","0.0002","90","","90","","120","","971.76","0.02","100","2","100","2","","","","","","","","4","P 32","P 32","145","","N'-((3,5-dimethylpyridin-2-yl)oxy)benzimidamide","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C42 H45 N9 O3 -","3","1","","Solodyankina, Olga V.; Baykova, Svetlana O.; Baykov, Sergey V.; Togyzbayeva, Nurila; Zhussupova, Leilya; Novikov, Mikhail S.; Turmanov, Rakhymzhan; Boyarskiy, Vadim P.","Access to 4-(pyridin-2-yloxy)-1,2,4-thiadiazol-5(4<i>H</i>)-ones <i>via</i> an amidoxime O-heteroarylation/cyclization reaction sequence.","Organic & biomolecular chemistry","2025","23","45","10398","10407","10.1039/d5ob01387a","","x-ray","1.54184","CuKα","","0.0323","0.0318","","","0.0838","0.0845","","","","","","1.054","","","","has coordinates","303962","2025-11-29","22:14:53",""
"7160822","9.5755","0.0001","10.6276","0.0001","14.3122","0.0001","90","","100.156","0.001","90","","1433.65","0.02","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 F3 N O2 -","- C17 H10 F3 N O2 -","- C68 H40 F12 N4 O8 -","4","1","","Ma, Minglan; Liu, Guangyuan; Meng, Fangyu; Li, Qiang; Zhou, Yirong","Base-catalyzed regio- and stereoselective addition of isatins to trifluoromethylated alkynes for preparation of <i>N</i>-alkenylisatins.","Organic & biomolecular chemistry","2025","23","46","10496","10501","10.1039/d5ob01514f","","x-ray","1.54184","CuKα","","0.0362","0.0358","","","0.0906","0.0909","","","","","","1.0655","","","","has coordinates","303945","2025-11-29","22:10:44",""
"7160823","11.086","0.002","8.3538","0.0009","22.882","0.004","90","","94.994","0.014","90","","2111.1","0.6","100.1","0.5","100.1","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 F N2 O2 -","- C25 H25 F N2 O2 -","- C100 H100 F4 N8 O8 -","4","1","","Jia, Xiuwen; Li, Pinyi; Zhao, Fei; Liu, Siyu","Redox-neutral rhodium(III)-catalyzed [4 + 1] annulation of <i>N</i>-aryl phthalazinediones with alkynes.","Organic & biomolecular chemistry","2025","23","45","10315","10320","10.1039/d5ob01380a","","x-ray","1.54184","CuKα","","0.1181","0.0655","","","0.1475","0.1891","","","","","","0.974","","","","has coordinates,has disorder","303965","2025-11-29","22:15:19",""
"7160824","10.5995","0.0002","12.0655","0.0003","14.2876","0.0003","90.027","0.001","104.479","0.001","94.13","0.001","1764.27","0.07","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H15 F3 N2 O3 S Se -","- C16 H15 F3 N2 O3 S Se -","- C64 H60 F12 N8 O12 S4 Se4 -","4","2","","Arndt, Thiemo; Partzsch, Monique; Rüffer, Tobias; Breugst, Martin","A computational analysis of substituent effects in pnictogen-, chalcogen-, and halogen-bond donors.","Organic & biomolecular chemistry","2025","23","46","10574","10585","10.1039/d5ob01575h","","","1.54178","CuKα","","0.0247","0.0241","","","0.057","0.0574","","","","","","1.077","","","","has coordinates","303944","2025-11-29","22:10:34",""
"7160825","8.5695","0.0003","11.3131","0.0003","18.4784","0.0006","90","","90","","90","","1791.44","0.1","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 F5 N2 O3 S Se -","- C16 H13 F5 N2 O3 S Se -","- C64 H52 F20 N8 O12 S4 Se4 -","4","1","","Arndt, Thiemo; Partzsch, Monique; Rüffer, Tobias; Breugst, Martin","A computational analysis of substituent effects in pnictogen-, chalcogen-, and halogen-bond donors.","Organic & biomolecular chemistry","2025","23","46","10574","10585","10.1039/d5ob01575h","","","1.54178","CuKα","","0.0156","0.0156","","","0.041","0.0411","","","","","","1.121","","","","has coordinates","303944","2025-11-29","22:10:35",""
"7160826","26.775","0.003","12.1932","0.0014","18.165","0.002","90","","114.76","0.003","90","","5385.2","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 F3 N O3 P -","- C33 H27 F3 N O3 P -","- C264 H216 F24 N8 O24 P8 -","8","1","","Prudhviraj, Jaggaraju; Nagababu, Chavakula; Sateesh, Rami; Desireddy, Krishna Swaroop; Punna, Nagender","Silver-catalyzed diastereoselective cascade radical cyclization of CF<sub>3</sub>-alkenyl quinolones with diarylphosphine oxides.","Organic & biomolecular chemistry","2025","23","45","10295","10299","10.1039/d5ob01505g","","","0.71073","MoKα","","0.0745","0.0468","","","0.1174","0.1366","","","","","","1.028","","","","has coordinates","303966","2025-11-29","22:15:28",""
"7160827","5.80606","0.00012","7.55044","0.00015","11.4439","0.0002","90","","96.1273","0.0019","90","","498.815","0.017","110","0.1","110","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 B N -","- C11 H14 B N -","- C22 H28 B2 N2 -","2","1","","Mediavilla, Braden A.; Siegler, Maxime A.; Klausen, Rebekka S.","1,2-Migratory ring expansion of a BN-naphthalene.","Organic & biomolecular chemistry","2025","23","45","10321","10329","10.1039/d5ob01286d","","","1.54178","CuKα","","0.0316","0.031","","","0.0867","0.0875","","","","","","1.091","","","","has coordinates","303957","2025-11-29","22:13:53",""
"7160828","9.63386","0.00007","8.72627","0.00008","36.3137","0.0003","90","","90","","90","","3052.81","0.04","243","0.1","243","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 B N -","- C18 H20 B N -","- C144 H160 B8 N8 -","8","1","","Mediavilla, Braden A.; Siegler, Maxime A.; Klausen, Rebekka S.","1,2-Migratory ring expansion of a BN-naphthalene.","Organic & biomolecular chemistry","2025","23","45","10321","10329","10.1039/d5ob01286d","","","1.54178","CuKα","","0.0458","0.044","","","0.1185","0.1197","","","","","","1.059","","","","has coordinates","303957","2025-11-29","22:13:54",""
"7160829","8.15626","0.00017","8.98468","0.00018","11.7166","0.0002","100.856","0.0017","93.9083","0.0017","108.205","0.0019","793.58","0.03","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 B Cl N -","- C16 H15 B Cl N -","- C32 H30 B2 Cl2 N2 -","2","1","","Mediavilla, Braden A.; Siegler, Maxime A.; Klausen, Rebekka S.","1,2-Migratory ring expansion of a BN-naphthalene.","Organic & biomolecular chemistry","2025","23","45","10321","10329","10.1039/d5ob01286d","","","1.54178","CuKα","","0.0344","0.034","","","0.0889","0.0891","","","","","","1.063","","","","has coordinates","303957","2025-11-29","22:13:54",""
"7160830","11.153","0.0003","6.2741","0.0002","15.0812","0.0004","90","","100.252","0.001","90","","1038.46","0.05","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C52 H46 N2 O6 -","2","1","","Wang, Zhaoxue; Wu, Ping; Yan, Rui; Zhao, Zhen-Guo; Du, Yuhang; Xiao, Yilei; Wu, Lingang; Xie, Lei","Diastereoselective construction of azabicyclo[3.1.0]hexan-2-ones <i>via</i> a base-mediated cascade annulation of β-oxo-acrylamides with vinylsulfonium salts.","Organic & biomolecular chemistry","2025","23","45","10285","10289","10.1039/d5ob01439e","","","1.54178","CuKα","","0.0354","0.0316","","","0.0793","0.082","","","","","","1.056","","","","has coordinates","303958","2025-11-29","22:14:05",""
"7160831","8.7379","0.0009","9.8928","0.0011","25.507","0.003","90","","90","","90","","2204.9","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Cl N2 O4 S -","- C21 H23 Cl N2 O4 S -","- C84 H92 Cl4 N8 O16 S4 -","4","1","","Hao, Runqi; Hou, Fei; Liu, Liqin; Wang, Rao; Tao, Yuan; Jia, Zhenhua; Chen, Fen-Er","Enantioselective access to quaternary stereocenters of pyrrolidines <i>via</i> Rh-catalyzed intramolecular cyclization of 1,6-enynes.","Organic & biomolecular chemistry","2025","23","44","10062","10066","10.1039/d5ob01373a","","","1.34139","GaKα","","0.0337","0.0309","","","0.0781","0.0796","","","","","","1.06","","","","has coordinates","303906","2025-11-29","22:00:36",""
"7160832","8.3527","0.0006","25.4679","0.0017","10.595","0.0007","90","","110.349","0.002","90","","2113.2","0.3","273.15","","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 O4 -","- C27 H20 O4 -","- C108 H80 O16 -","4","1","","Sahoo, Raj Kamal; Ghosh, Sourav; Nur, Asadujjaman; Mandal, Kush; Rana, Gopal; Jana, Umasish","Access to functionalized benzo[<i>b</i>]fluorene/benzo[<i>a</i>]anthracene derivatives through TfOH-promoted tandem isomerization/cyclodehydration.","Organic & biomolecular chemistry","2025","23","45","10345","10356","10.1039/d5ob01225b","","","0.71073","MoKα","","0.0654","0.0573","","","0.1366","0.1417","","","","","","1.112","","","","has coordinates","303963","2025-11-29","22:15:02",""
"7160833","19.176","0.0015","5.7616","0.0006","14.2746","0.0016","90","","92.607","0.009","90","","1575.5","0.3","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C64 H84 N4 O20 -","- C64 H84 N4 O20 -","- C64 H84 N4 O20 -","1","0.25","","Fan, Guo-Zhao; Hu, Xiang-Guo; Liu, Shuai","Copper-catalyzed synthesis of glycosyl carboxamides from glycosyl carboxylic acids and isocyanates.","Organic & biomolecular chemistry","2025","23","44","10067","10071","10.1039/d5ob01490e","","x-ray","0.71073","MoKα","","0.1042","0.0824","","","0.2072","0.2351","","","","","","1.0549","","","","has coordinates","303898","2025-11-29","21:58:18",""
"7160834","11.1757","0.0006","7.6127","0.0004","26.423","0.0015","90","","100.954","0.002","90","","2207","0.2","295","2","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 O6 S -","- C22 H26 O6 S -","- C88 H104 O24 S4 -","4","1","","Sk, Eman Ali; Khan, Abu Taleb","Reactivity study of 4-hydroxy-2<i>H</i>-chromene-2-thiones with symmetrical 1,4-acetylene dicarboxylates and methyl propiolate using ytterbium(III) triflate as catalyst: stereoselective synthesis of substituted fumarate and (<i>Z</i>) acrylate derivatives.","Organic & biomolecular chemistry","2025","23","45","10336","10344","10.1039/d5ob01518a","","","0.71073","MoKα","","0.0573","0.0457","","","0.1044","0.1141","","","","","","1.114","","","","has coordinates","303960","2025-11-29","22:14:24",""
"7160835","10.802","0.003","13.196","0.003","25.591","0.006","90","","90.479","0.007","90","","3647.7","1.6","296","2","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 F O4 S -","- C13 H9 F O4 S -","- C156 H108 F12 O48 S12 -","12","3","","Sk, Eman Ali; Khan, Abu Taleb","Reactivity study of 4-hydroxy-2<i>H</i>-chromene-2-thiones with symmetrical 1,4-acetylene dicarboxylates and methyl propiolate using ytterbium(III) triflate as catalyst: stereoselective synthesis of substituted fumarate and (<i>Z</i>) acrylate derivatives.","Organic & biomolecular chemistry","2025","23","45","10336","10344","10.1039/d5ob01518a","","","0.71073","MoKα","","0.0642","0.0445","","","0.1116","0.142","","","","","","1.115","","","","has coordinates","303960","2025-11-29","22:14:25",""
"7160836","9.2431","0.0005","7.591","0.0004","26.1848","0.0015","90","","97.56","0.002","90","","1821.27","0.17","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O6 S -","- C18 H18 O6 S -","- C72 H72 O24 S4 -","4","1","","Sk, Eman Ali; Khan, Abu Taleb","Reactivity study of 4-hydroxy-2<i>H</i>-chromene-2-thiones with symmetrical 1,4-acetylene dicarboxylates and methyl propiolate using ytterbium(III) triflate as catalyst: stereoselective synthesis of substituted fumarate and (<i>Z</i>) acrylate derivatives.","Organic & biomolecular chemistry","2025","23","45","10336","10344","10.1039/d5ob01518a","","","0.71073","MoKα","","0.0609","0.0502","","","0.172","0.1884","","","","","","1.322","","","","has coordinates","303960","2025-11-29","22:14:25",""
"7160837","14.218","0.0001","18.7508","0.0001","28.9297","0.0002","90","","90","","90","","7712.63","0.09","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O S -","- C23 H23 N O S -","- C368 H368 N16 O16 S16 -","16","4","","Fanai-Danesh, Shamim; Moseley, Daniel F.; Foote, Kevin M.; Jones, Kieran D.; Argent, Stephen P.; Lam, Hon Wai","Synthesis of <i>S</i>-allylic sulfinamides by the catalytic nucleophilic allylation of <i>N</i>-sulfinylamines.","Organic & biomolecular chemistry","2025","23","46","10502","10507","10.1039/d5ob01562f","","x-ray","1.54184","CuKα","","0.0324","0.0311","","","0.0831","0.0841","","","","","","1.036","","","","has coordinates","303948","2025-11-29","22:11:14",""
"7160838","8.3739","0.0002","13.2079","0.0003","32.2928","0.0008","90","","90","","90","","3571.64","0.15","213","0.1","213","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N6 -","- C20 H20 N6 -","- C160 H160 N48 -","8","1","","Fu, Rugang; Cao, Cheng; Wang, Junke; Wen, Fei; Qiu, Dong; Zong, Yingxiao","Unexpected synthesis of 4,4'-bis(1,2,3-triazole)s from calcium carbide as an acetylene source <i>via</i> a click reaction.","Organic & biomolecular chemistry","2025","23","46","10508","10513","10.1039/d5ob01202c","","x-ray","1.54184","CuKα","","0.0521","0.0416","","","0.1076","0.1141","","","","","","1.048","","","","has coordinates","303947","2025-11-29","22:11:04",""
"7160839","8.2975","0.0002","11.878","0.0003","16.8853","0.0003","90","","90","","90","","1664.18","0.07","298.15","","298.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Prieto, Elena; Andrés, Celia; Nieto, Javier","Synthesis of chiral α-alkynyl-α-hydroxyamides by enantioselective alkynylation of α-keto amides.","Organic & biomolecular chemistry","2025","23","46","10596","10605","10.1039/d5ob01546d","","x-ray","1.54184","CuKα","","0.0416","0.0363","","","0.0986","0.1043","","","","","","1.074","","","","has coordinates","303950","2025-11-29","22:11:39",""
"7160840","10.7159","0.0002","7.1215","0.0001","30.6961","0.0006","90","","90","","90","","2342.52","0.07","299","","299","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","1","","Mondal, Aritra; Mandal, Sunanda; Khamarui, Saikat; Mondal, Souvik; Maity, Bholanath; Dutta, Tanmoy; Hazra, Ayan; Das, Paramita; Ray, Suman","CuI/TEMPO Mediated Aerobic Oxidative sp3 C-H Functionalization Leading to Pyrrol-2-one Derivatives","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01297J","","","1.54178","CuKα","","0.0466","0.0434","","","0.1162","0.117","","","","","","0.931","","","","has coordinates","303186","2025-11-05","03:23:51",""
"7160841","7.841","0.0004","9.9763","0.0005","10.816","0.0006","90.279","0.004","101.789","0.005","106.79","0.005","791.07","0.08","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 F3 N O2 S -","- C17 H14 F3 N O2 S -","- C34 H28 F6 N2 O4 S2 -","2","1","","Chen, Xiaoyu; Geng, Yang; Liu, Pan; Wu, Zhiyong; Zou, Dapeng; Wu, Yangjie; Wu, Yusheng","Visible-light-induced radical trifluoromethylation/cyclization of alkynes: synthesis of CF<sub>3</sub>-containing dioxodibenzothiazepines.","Organic & biomolecular chemistry","2025","23","46","10474","10478","10.1039/d5ob01520k","","x-ray","0.71073","MoKα","","0.0489","0.0395","","","0.1041","0.1091","","","","","","1.089","","","","has coordinates","303949","2025-11-29","22:11:24",""
"7160842","7.5494","0.0014","24.117","0.005","8.3213","0.0016","90","","93.888","0.002","90","","1511.6","0.5","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","","","- C H N O -","- C72 N9 O11 -","- C72 N9 O11 -","1","1","","Qu, Hongen; Liang, Pei; Shi, Qiu; Xiao, Shangqing; Huang, Panpan; Wang, Hengshan; Zhou, Zhonggao; Liu, Liangxian","Hypervalent iodine-mediated highly mono- and di-selective etherification of 8-aminoquinolines at the C5 and C6 positions.","Organic & biomolecular chemistry","2025","23","47","10656","10661","10.1039/d5ob01378j","","","0.71073","MoKα","","0.1183","0.104","","","0.2913","0.3084","","","","","","1.071","","","","has coordinates","304125","2025-12-07","08:18:08",""
"7160843","13.3576","0.0015","9.1052","0.0006","27.6587","0.0018","90","","90","","90","","3364","0.5","256","2","256","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C160 H136 N24 O24 -","8","1","","Monika, ?; Kumar, Prashant; Singh, Brajendra K.","Ru(II)-catalyzed site-selective <i>N</i>-directed C(sp<sup>2</sup>)-H alkylation of quinoxalinones with maleimide.","Organic & biomolecular chemistry","2025","23","47","10743","10752","10.1039/d5ob01524c","","","0.71073","MoKα","","0.1496","0.0874","","","0.2527","0.3501","","","","","","1.208","","","","has coordinates","304123","2025-12-07","08:17:48",""
"7160844","14.927","0.0008","11.3024","0.0005","20.493","0.0009","90","","90","","90","","3457.4","0.3","224","100","224","100","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(5-fluoro-2-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl)-1-methylpyrrolidine-2,5-dione","","- C20 H16 F N3 O3 -","- C20 H16 F N3 O3 -","- C160 H128 F8 N24 O24 -","8","2","","Monika, ?; Kumar, Prashant; Singh, Brajendra K.","Ru(II)-catalyzed site-selective <i>N</i>-directed C(sp<sup>2</sup>)-H alkylation of quinoxalinones with maleimide.","Organic & biomolecular chemistry","2025","23","47","10743","10752","10.1039/d5ob01524c","","x-ray","0.71073","MoKα","","0.1026","0.0657","","","0.1701","0.1935","","","","","","1.072","","","","has coordinates","304123","2025-12-07","08:17:48",""
"7160845","14.2329","0.001","13.9649","0.0012","11.1832","0.0008","90","","104.664","0.005","90","","2150.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Fe N O3 -","- C27 H21 Fe N O3 -","- C108 H84 Fe4 N4 O12 -","4","1","","Liu, Junpeng; Gao, Congyu; Hu, Jianfeng; Zhang, Wen-Xiong; Yang, Yong; Zhang, Hao","Construction of planar chiral ferrocene diketone derivatives <i>via</i> a cascade Pd-catalyzed asymmetric C-H arylation/α-arylation reaction.","Organic & biomolecular chemistry","2025","23","47","10729","10736","10.1039/d5ob01301a","","","0.71073","MoKα","","0.0974","0.0497","","","0.1116","0.1328","","","","","","1.002","","","","has coordinates","304119","2025-12-07","08:16:57",""
"7160846","16.683","0.003","8.7068","0.0017","16.643","0.003","90","","107.37","0.03","90","","2307.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl N4 O4 -","- C24 H19 Cl N4 O4 -","- C96 H76 Cl4 N16 O16 -","4","1","","Farajpour, Behnaz; Khavari, Fatemeh; Davoudi, Nafiseh B.; Lotfi Nosood, Yazdanbakhsh; Notash, Behrouz; Taheri, Salman; Moradkhani, Fatemeh; Shiri, Morteza; Al-Harrasi, Ahmed; Hussain, Faiq","Synthesis of Furan-Linked Iminomethyl 2-Aminochromones via Base-Promoted Cascade Reaction of 3-Cyanochromones with β-Ketodinitriles","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01442E","","","0.71073","MoKα","","0.1995","0.0843","","","0.1579","0.1915","","","","","","0.957","","","","has coordinates","303272","2025-11-12","02:11:28",""
"7160847","9.4456","0.0005","6.665","0.0003","10.5231","0.0005","90","","99.933","0.005","90","","652.55","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H12 Cl2 O5 -","- C13 H12 Cl2 O5 -","- C26 H24 Cl4 O10 -","2","0.5","","Li, Wanpeng; Gao, Ying; Ruan, Hanli","Resorcylic acid lactone derivatives with immunosuppressive activity from the endophytic <i>Podospora</i> sp. G214.","Organic & biomolecular chemistry","2025","23","47","10771","10778","10.1039/d5ob01602a","","x-ray","1.54178","CuKα","","0.0993","0.0981","","","0.2145","0.2149","","","","","","1.206","","","","has coordinates,has disorder","304124","2025-12-07","08:17:59",""
"7160848","4.36335","0.00003","25.31599","0.00012","11.98481","0.00007","90","","92.0783","0.0005","90","","1323","0.013","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H12 Cl2 O5 -","- C13 H12 Cl2 O5 -","- C52 H48 Cl8 O20 -","4","2","","Li, Wanpeng; Gao, Ying; Ruan, Hanli","Resorcylic acid lactone derivatives with immunosuppressive activity from the endophytic <i>Podospora</i> sp. G214.","Organic & biomolecular chemistry","2025","23","47","10771","10778","10.1039/d5ob01602a","","x-ray","1.54184","CuKα","","0.0192","0.0191","","","0.0523","0.0523","","","","","","1.044","","","","has coordinates","304124","2025-12-07","08:17:59",""
"7160849","9.3834","0.0005","16.1469","0.0009","17.4024","0.001","90","","90","","90","","2636.7","0.3","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C31 H31 N O4 -","- C31 H31 N O4 -","- C124 H124 N4 O16 -","4","1","","Qiao, Qiwei; Sun, Hong; Sudprasert, Pirada; Cheng, Jin","Base-promoted [4 + 2] cycloaddition of <i>para</i>-quinone methides (<i>p</i>-QMs) and 3-cyanochromones: facile access to chromeno[2,3-<i>b</i>]chromenes.","Organic & biomolecular chemistry","2025","23","47","10669","10673","10.1039/d5ob01516b","","","1.34139","GaKα","","0.039","0.0343","","","0.0883","0.0915","","","","","","1.101","","","","has coordinates","304118","2025-12-07","08:16:46",""
"7160850","10.4636","0.0005","15.3707","0.0007","8.6501","0.0003","90","","114.626","0.001","90","","1264.68","0.09","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5,6-dichloro-2-(tetrahydro-1l4-thiophen-1-ylidene)-1H-indene-1,3(2H)-dione","","- C13 H10 Cl2 O2 S -","- C13 H10 Cl2 O2 S -","- C52 H40 Cl8 O8 S4 -","4","1","","LIU, EVONNE; Chandrasekar, Lavanya; Pan, Bo-Xuan; Yun-Zhen, Hsieh; Liu, Wei-Min","Unconventional Synthetic Pathway of Alkynyl Sulfonium Ylides with Aromatic Acid Anhydrides Leading to the Formation of Sulfonium Diacylmethylide Frameworks","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01565K","","","0.71073","MoKα","","0.0277","0.026","","","0.0638","0.0647","","","","","","1.037","","","","has coordinates","303275","2025-11-12","02:12:59",""
"7160851","13.5957","0.0004","5.5652","0.0002","17.3345","0.0005","90","","90","","90","","1311.58","0.07","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(3R,4aS,8R,9aR)-3-phenyl-1,3,4,8,9,9a-hexahydro-5H-4a,8-epoxycyclohepta[c]pyran-5-one","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Ghosh, Arun K.; Hopkins, Denver","Diastereoselective intramolecular oxidopyrylium-alkene [5 + 2]-cycloaddition of substrates with a β-chiral center on alkene tethers: synthesis of 8-oxabicyclo-[3.2.1]-octenone heterocycles.","Organic & biomolecular chemistry","2025","23","47","10701","10723","10.1039/d5ob01429h","","","0.71073","MoKα","","0.0438","0.0353","","","0.0875","0.0927","","","","","","1.055","","","","has coordinates","304121","2025-12-07","08:17:17",""
"7160852","8.8005","0.001","16.8892","0.0019","6.6655","0.0008","90","","108.072","0.005","90","","941.84","0.19","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3S*,4aS*,8R*,9aR*)-3-methyl-1,3,4,8,9,9a-hexahydro-5H-4a,8-epoxycyclohepta[c]pyran-5-one","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Ghosh, Arun K.; Hopkins, Denver","Diastereoselective intramolecular oxidopyrylium-alkene [5 + 2]-cycloaddition of substrates with a β-chiral center on alkene tethers: synthesis of 8-oxabicyclo-[3.2.1]-octenone heterocycles.","Organic & biomolecular chemistry","2025","23","47","10701","10723","10.1039/d5ob01429h","","","1.54178","CuKα","","0.0419","0.0375","","","0.0907","0.0944","","","","","","1.072","","","","has coordinates","304121","2025-12-07","08:17:25",""
"7160853","10.2958","0.0011","10.1721","0.001","12.0183","0.0016","90","","97.742","0.009","90","","1247.2","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-phenyl-1,2,3,7,8,8a-hexahydro-4H-3a,7-epoxyazulen-4-one","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","1","","Ghosh, Arun K.; Hopkins, Denver","Diastereoselective intramolecular oxidopyrylium-alkene [5 + 2]-cycloaddition of substrates with a β-chiral center on alkene tethers: synthesis of 8-oxabicyclo-[3.2.1]-octenone heterocycles.","Organic & biomolecular chemistry","2025","23","47","10701","10723","10.1039/d5ob01429h","","","1.54178","CuKα","","0.0808","0.0565","","","0.1518","0.1657","","","","","","1.109","","","","has coordinates","304121","2025-12-07","08:17:25",""
"7160854","19.774","0.005","8.0609","0.0019","30.271","0.007","90","","91.235","0.016","90","","4824","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 B F2 N2 O4 S2 -","- C25 H23 B F2 N2 O4 S2 -","- C200 H184 B8 F16 N16 O32 S16 -","8","2","","Hotynchan, Andrii; Polishchuk, Vladyslav; Shishkina, Svitlana V.; Kulinich, Andrii Volodymyrovych; Kovtun, Yuriy P.","1,7-Dithienyl BODIPYs: Do Thienyls Outperform Phenyls?","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01656H","","","0.71073","MoKα","","0.3027","0.1162","","","0.2187","0.2882","","","","","","1.01","","","","has coordinates","303400","2025-11-25","15:45:46",""
"7160855","7.5005","0.0006","9.6788","0.0008","20.8739","0.0018","90","","92.351","0.005","90","","1514.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C56 H72 N8 O16 -","4","1","","Hotynchan, Andrii; Polishchuk, Vladyslav; Shishkina, Svitlana V.; Kulinich, Andrii Volodymyrovych; Kovtun, Yuriy P.","1,7-Dithienyl BODIPYs: Do Thienyls Outperform Phenyls?","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01656H","","","0.71073","MoKα","","0.0701","0.0536","","","0.1318","0.1466","","","","","","1.061","","","","has coordinates","303400","2025-11-25","15:45:48",""
"7160856","11.3899","0.0007","7.849","0.0005","28.9675","0.0017","90","","100.595","0.004","90","","2545.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 B F2 N2 O4 -","- C29 H27 B F2 N2 O4 -","- C116 H108 B4 F8 N8 O16 -","4","1","","Hotynchan, Andrii; Polishchuk, Vladyslav; Shishkina, Svitlana V.; Kulinich, Andrii Volodymyrovych; Kovtun, Yuriy P.","1,7-Dithienyl BODIPYs: Do Thienyls Outperform Phenyls?","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01656H","","","0.71073","MoKα","","0.0891","0.0559","","","0.1274","0.1454","","","","","","1.03","","","","has coordinates","303400","2025-11-25","15:45:50",""
"7160857","9.6426","0.0003","12.3442","0.0003","15.2224","0.0004","90.972","0.001","103.314","0.001","96.079","0.001","1751.71","0.08","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H36 O4 -","- C48 H36 O4 -","- C96 H72 O8 -","2","1","","Ma, Yingchun; Yu, Ping; Shang, Guobao; Hu, Jingqi; Zhang, Zilong; Shi, Lou; Chang, Qiaowen; Sun, Shaoguang; Liang, Deqiang","Synthesis of phenolic derivatives via photoredox formal [4 + 2] tandem annulation of α-bromoketones and terminal alkynes","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01596K","","","1.54178","CuKα","","0.0641","0.0542","","","0.1536","0.1609","","","","","","1.248","","","","has coordinates","303401","2025-11-25","15:46:49",""
"7160858","11.3687","0.0004","17.629","0.0007","11.5663","0.0005","90","","108.254","0.001","90","","2201.45","0.15","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N -","- C30 H23 N -","- C120 H92 N4 -","4","1","","Majee, Adinath; Pramanik, Tanmay Pramanik; Pal, Satyajit; Sultana, Nargis; Kundu, Anupam; Mukherjee, Anindita; Santra, Sougata; Begum, Naznin Ara; Rath, Jnanendra; Zyryanov, Grigory V.","Mechanochemical synthesis of pyrrolo[1,2-a]indoles via consecutive C-C and C-N bond formation in presence of ionic liquid: Antimicrobial and photophysical studies †","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01489A","","","0.71073","MoKα","","0.105","0.07","","","0.1956","0.2226","","","","","","1.388","","","","has coordinates","303402","2025-11-25","15:47:33",""
"7160859","8.0774","0.0003","17.0357","0.0006","9.2209","0.0003","90","","90","","90","","1268.83","0.08","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Chen, Yong-Shun; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Chien, Su-Ying","A one-pot visible-light strategy for cyclobutanone synthesis <i>via</i> sequential [2 + 2] cycloaddition and Nef reaction of nitroalkenes and 2-vinylpyridines.","Organic & biomolecular chemistry","2025","","","","","10.1039/d5ob01564b","","","1.54178","CuKα","","0.0304","0.03","","","0.0795","0.0802","","","","","","1.04","","","","has coordinates","303403","2025-11-25","15:47:59",""
"7160860","8.1448","0.0002","17.0816","0.0005","9.2698","0.0003","90","","90","","90","","1289.67","0.06","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Chen, Yong-Shun; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Chien, Su-Ying","A one-pot visible-light strategy for cyclobutanone synthesis <i>via</i> sequential [2 + 2] cycloaddition and Nef reaction of nitroalkenes and 2-vinylpyridines.","Organic & biomolecular chemistry","2025","","","","","10.1039/d5ob01564b","","","1.54178","CuKα","","0.0266","0.0263","","","0.0718","0.0722","","","","","","1.032","","","","has coordinates","303403","2025-11-25","15:47:59",""
"7160861","5.8689","0.0004","11.6621","0.001","12.8743","0.001","92.3","0.006","90.755","0.006","93.448","0.006","878.75","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-(4-bromophenyl)-2-(tert-butyl)-6-fluoro-1-phenyl-1,4-dihydropyrimidine","","- C40 H40 Br2 F2 N4 -","- C40 H40 Br2 F2 N4 -","- C40 H40 Br2 F2 N4 -","1","0.5","","Li, Han; Long, Xujing; Zhu, Chuanle","Chemoselective Defluorinative Amination of (Trifluoromethyl)alkenes with Amidines: Synthesis of 6-Fluoro-1,4-dihydropyrimidines","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01554E","","x-ray","1.54184","CuKα","","0.0588","0.0511","","","0.1377","0.1501","","","","","","1.041","","","","has coordinates","303404","2025-11-25","15:48:31",""
"7160862","20.919","0.005","8.778","0.003","14.947","0.004","90","","97.9","0.009","90","","2718.6","1.3","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 Cl2 Cu N5 O8 -","- C21 H39 Cl2 Cu N5 O8 -","- C84 H156 Cl8 Cu4 N20 O32 -","4","1","","Arteaga-Vinza, Mercy Elena; Blasco, Salvador; Clares, Maria Paz; Albelda, M. Teresa; Frias, Juan Carlos; Bernat-Just, Lucía; Ta, Phuong Linh; López-Castellano, Alicia; Sessler, Jonathan L.; García-España, Enrique","Self-Assembly of Azamacrocyclic Ligands into Vesicular Structures: From Design to Functional Properties and Applications.","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01736J","","","0.71073","MoKα","","0.1138","0.0706","","","0.1661","0.1911","","","","","","1.028","","","","has coordinates,has disorder","303405","2025-11-25","15:48:59",""
"7160863","5.48","0.0013","7.981","0.002","33.787","0.009","90","","90","","90","","1477.7","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 S2 -","- C16 H16 S2 -","- C64 H64 S8 -","4","1","","Hua, Lei; Luo, Hui; Wang, Yan; He, Yu; Ge, Shanliang; Wang, Fuqiang; Wu, Jianglong; Yang, Jinhui","Copper-catalyzed synthesis of functionalized dithioalkenes from solid calcium carbide.","Organic & biomolecular chemistry","2025","23","47","10779","10783","10.1039/d5ob01606a","","","0.71073","MoKα","","0.1287","0.0632","","","0.1197","0.1421","","","","","","1.024","","","","has coordinates","304126","2025-12-07","08:18:15",""
"7160864","24.8735","0.0012","8.1365","0.0004","12.3229","0.0006","90","","91.625","0.004","90","","2492.9","0.2","118.2","0.3","118.2","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H43 N O3 Si -","- C25 H43 N O3 Si -","- C100 H172 N4 O12 Si4 -","4","1","","Wang, Yuan; Wang, Zhe; Zhuang, Miao; Deng, Xinyi; Liu, Xiaoyu; Jiao, Xiaozhen; Xie, ping","Synthesis of Isoxazoline Analogs of Stellettins","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01632K","","x-ray","0.71073","MoKα","","0.087","0.0568","","","0.1185","0.1353","","","","","","1.043","","","","has coordinates","303407","2025-11-25","15:49:50",""
"7160865","11.6017","0.0008","13.7639","0.0006","12.76","0.0008","90","","114.935","0.008","90","","1847.6","0.2","150","0.14","150","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 O3 -","- C22 H26 O3 -","- C88 H104 O12 -","4","1","","French, Sarah A.; Peralta, Ricardo A.; George, Jonathan H.","Biomimetic synthesis of <i>Sinularia</i> meroterpenoids and photochemical reactivity of capillobenzopyranol.","Organic & biomolecular chemistry","2025","23","47","10766","10770","10.1039/d5ob01430a","","x-ray","0.71073","MoKα","","0.0816","0.0518","","","0.1408","0.1586","","","","","","1.054","","","","has coordinates","304122","2025-12-07","08:17:37",""
"7160866","14.1227","0.0012","4.9556","0.0004","25.231","0.003","90","","96.714","0.009","90","","1753.7","0.3","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 F3 N O4 -","- C19 H18 F3 N O4 -","- C76 H72 F12 N4 O16 -","4","1","","Feng, Yuxi; Liu, Shuai; Meng, Weidong; Huang, Yangen","Photoredox catalyzed synthesis of β-trifluoromethyl β-aminoketones from <i>N</i>-trifluoroethyl hydroxylamine reagent and silyl enol ethers.","Organic & biomolecular chemistry","2025","","","","","10.1039/d5ob01591j","","x-ray","1.54184","CuKα","","0.1106","0.0746","","","0.1786","0.2283","","","","","","1.004","","","","has coordinates","303409","2025-11-25","15:50:53",""
"7160867","10.5956","0.0015","21.835","0.003","8.2544","0.001","90","","92.378","0.005","90","","1908.1","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N4 O2 -","- C22 H22 N4 O2 -","- C88 H88 N16 O8 -","4","1","","More, Karan Prakash; Valvi, Mangesh Biramya; Shubham, ?; Adimurthy, Subbarayappa","Ruthenium(II)-catalyzed regioselective C-H alkylation of pyridotriazoles with maleimides: access to triazolopyridine-succinimide scaffolds.","Organic & biomolecular chemistry","2025","23","47","10753","10759","10.1039/d5ob01432h","","","0.71073","MoKα","","0.0921","0.0716","","","0.1791","0.1939","","","","","","1.197","","","","has coordinates","304117","2025-12-07","08:16:37",""
"7160868","12.6257","0.0005","14.2516","0.0006","21.6716","0.001","90","","90","","90","","3899.5","0.3","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H14 Cl2 N4 O2 -","- C22 H14 Cl2 N4 O2 -","- C176 H112 Cl16 N32 O16 -","8","1","","More, Karan Prakash; Valvi, Mangesh Biramya; Shubham, ?; Adimurthy, Subbarayappa","Ruthenium(II)-catalyzed regioselective C-H alkylation of pyridotriazoles with maleimides: access to triazolopyridine-succinimide scaffolds.","Organic & biomolecular chemistry","2025","23","47","10753","10759","10.1039/d5ob01432h","","","0.71073","MoKα","","0.0761","0.0479","","","0.1165","0.1562","","","","","","1.204","","","","has coordinates","304117","2025-12-07","08:16:38",""
"7160869","8.6519","0.0003","9.5272","0.0003","19.0975","0.0007","93.88","0.003","95.67","0.003","100.995","0.003","1531.68","0.09","150","0.5","150","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C29 H53 N3 O7 -","- C29 H53 N3 O7 -","- C58 H106 N6 O14 -","2","1","","White, Lisa J.; Streather, Bree; Sutton, J. Mark; Rankin, Jennifer; Baker, Jennifer; Bennett, Charlotte; Wilson, Hollie B.; Hind, Charlotte K.; Hiscock, Jennifer R.","Dicarboxylate and dicarboxylic acid appended supramolecular self-associating amphiphiles as antimicrobial agents against high priority bacterial pathogens.","Organic & biomolecular chemistry","2025","","","","","10.1039/d5ob01615k","","x-ray","1.54184","CuKα","","0.0496","0.041","","","0.1042","0.1101","","","","","","1.029","","","","has coordinates,has disorder","303411","2025-11-25","15:52:19",""
"7160870","27.781","0.003","10.9013","0.001","10.0416","0.0007","90","","93.477","0.01","90","","3035.5","0.5","150","0.5","150","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 F3 N2 O5 -","- C14 H15 F3 N2 O5 -","- C112 H120 F24 N16 O40 -","8","1","","White, Lisa J.; Streather, Bree; Sutton, J. Mark; Rankin, Jennifer; Baker, Jennifer; Bennett, Charlotte; Wilson, Hollie B.; Hind, Charlotte K.; Hiscock, Jennifer R.","Dicarboxylate and dicarboxylic acid appended supramolecular self-associating amphiphiles as antimicrobial agents against high priority bacterial pathogens.","Organic & biomolecular chemistry","2025","","","","","10.1039/d5ob01615k","","x-ray","1.54184","CuKα","","0.1617","0.1299","","","0.383","0.4072","","","","","","1.148","","","","has coordinates","303411","2025-11-25","15:52:20",""
"7160871","27.123","0.003","6.2205","0.0005","7.7852","0.0007","90","","90.642","0.01","90","","1313.4","0.2","150","0.5","150","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O6 -","- C13 H16 N2 O6 -","- C52 H64 N8 O24 -","4","1","","White, Lisa J.; Streather, Bree; Sutton, J. Mark; Rankin, Jennifer; Baker, Jennifer; Bennett, Charlotte; Wilson, Hollie B.; Hind, Charlotte K.; Hiscock, Jennifer R.","Dicarboxylate and dicarboxylic acid appended supramolecular self-associating amphiphiles as antimicrobial agents against high priority bacterial pathogens.","Organic & biomolecular chemistry","2025","","","","","10.1039/d5ob01615k","","x-ray","1.54184","CuKα","","0.1633","0.1379","","","0.3935","0.4113","","","","","","1.113","","","","has coordinates","303411","2025-11-25","15:52:20",""
"7160872","19.3063","0.0013","16.6092","0.0012","33.619","0.002","90","","90","","90","","10780.3","1.2","150","0.5","150","0.5","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H97 Br N4 O12 -","- C44 H97 Br N4 O12 -","- C352 H776 Br8 N32 O96 -","8","1","","White, Lisa J.; Streather, Bree; Sutton, J. Mark; Rankin, Jennifer; Baker, Jennifer; Bennett, Charlotte; Wilson, Hollie B.; Hind, Charlotte K.; Hiscock, Jennifer R.","Dicarboxylate and dicarboxylic acid appended supramolecular self-associating amphiphiles as antimicrobial agents against high priority bacterial pathogens.","Organic & biomolecular chemistry","2025","","","","","10.1039/d5ob01615k","","x-ray","1.54184","CuKα","","0.1419","0.0867","","","0.2368","0.2843","","","","","","1.034","","","","has coordinates,has disorder","303411","2025-11-25","15:52:20",""
"7160873","16.1358","0.0006","14.0944","0.0006","24.2566","0.001","90","","91.205","0.002","90","","5515.3","0.4","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C83 H123 N3 O75.5 -","- C83 H123 N3 O75.5 -","- C166 H246 N6 O151 -","2","1","","Barvík, Ivan; Císařová, Ivana; Dian, Juraj; Holovko-Kamoshenkova, Oksana; Štícha, Martin; Tošner, Zdeněk; Jindřich, Jindřich; Hrdina, Radim","C-H amination reactions inside α-cyclodextrin supramolecular capsule.","Organic & biomolecular chemistry","2025","23","47","10684","10688","10.1039/d5ob01545f","","","1.54178","CuKα","","0.0659","0.0648","","","0.1828","0.1843","","","","","","1.05","","","","has coordinates,has disorder","304120","2025-12-07","08:17:06",""
"7160874","13.7379","0.0004","10.0334","0.0003","16.1142","0.0004","90","","90","","90","","2221.15","0.11","117.3","0.14","117.3","0.14","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 F O2 -","- C14 H11 F O2 -","- C112 H88 F8 O16 -","8","1","","Yang, Bowei; An, Xinkun; Zhang, Tingting; He, Xie; Li, Yiyi; Wang, Mingan","One-Pot Synthesis of 6H-Benzo[c]chromene and 6,7dihydrodibenzo[b,d]oxepine Scaffolds through Sequence Reaction of Oxidative Dearomatization and Dienone-Phenol Rearrangement","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01670C","","x-ray","1.54184","CuKα","","0.0422","0.0368","","","0.1017","0.107","","","","","","1.081","","","","has coordinates","303413","2025-11-25","15:53:20",""
"7160875","34.384","0.0008","34.384","0.0008","3.8114","0.0004","90","","90","","90","","4506.1","0.5","117.6","0.14","117.6","0.14","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C14 H11 Cl O3 -","- C14 H11 Cl O3 -","- C224 H176 Cl16 O48 -","16","1","","Yang, Bowei; An, Xinkun; Zhang, Tingting; He, Xie; Li, Yiyi; Wang, Mingan","One-Pot Synthesis of 6H-Benzo[c]chromene and 6,7dihydrodibenzo[b,d]oxepine Scaffolds through Sequence Reaction of Oxidative Dearomatization and Dienone-Phenol Rearrangement","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01670C","","x-ray","1.54184","CuKα","","0.0398","0.0345","","","0.0835","0.0886","","","","","","1.039","","","","has coordinates","303413","2025-11-25","15:53:20",""
"7160876","18.0575","0.0001","9.6853","0.0001","9.1077","0.0001","90","","104.014","0.001","90","","1545.46","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10.29 H8 Cl0.57 N1.71 O1.14 -","- C10.2857 H8 Cl0.571429 N1.71429 O1.14286 -","- C72 H56 Cl4 N12 O8 -","7","1.75","","Kuznetsov, Roman; Kantin, Grigory; Sapegin, Alexander; Novikov, Mikhail Sergeevich; Dar'in, Dmitry","Elucidating the mechanism, origin of regioselectivity and substrate scope of structurally diverse 1,2,4-triazoles synthesis via rare type of diazo compounds reactivity","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01650A","","x-ray","1.54184","CuKα","","0.0372","0.0359","","","0.0981","0.0995","","","","","","1.076","","","","has coordinates","303450","2025-11-27","02:05:56",""
"7160877","21.1094","0.0009","4.6693","0.0004","20.8977","0.0011","90","","107.207","0.005","90","","1967.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 Cl F3 N3 O -","- C23 H15 Cl F3 N3 O -","- C92 H60 Cl4 F12 N12 O4 -","4","1","","Kuznetsov, Roman; Kantin, Grigory; Sapegin, Alexander; Novikov, Mikhail Sergeevich; Dar'in, Dmitry","Elucidating the mechanism, origin of regioselectivity and substrate scope of structurally diverse 1,2,4-triazoles synthesis via rare type of diazo compounds reactivity","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01650A","","","1.54184","CuKα","","0.1074","0.077","","","0.1736","0.1887","","","","","","1.122","","","","has coordinates","303450","2025-11-27","02:05:58",""
"7160878","7.1171","0.0002","17.9923","0.0006","7.2098","0.0002","90","","106.534","0.004","90","","885.06","0.05","290.89","0.1","290.89","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C40 H36 N4 O8 -","4","1","","Jiang, Dongfang; Yang, Can; Man, Xinying; Li, Xin; Wang, Haifei; Qi, Zhenjie; Song, Yunlin","Fe(NO₃)₃•9H₂O-Mediated Visible-Light Photocatalysis for the Nitration of Cyclobutanols: Access to Functionalized Nitrocyclobutenes","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01627D","","","1.54184","CuKα","","0.0483","0.045","","","0.1201","0.1242","","","","","","1.024","","","","has coordinates","303451","2025-11-27","02:06:38",""
"7160879","10.6316","0.0014","14.5653","0.0019","12.9547","0.0017","90","","91.98","0.004","90","","2004.9","0.5","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O8 -","- C20 H25 N O8 -","- C80 H100 N4 O32 -","4","1","","Potapov, Konstantin V.; Novikov, Maxim A.; Kozmenko, Yaroslav V.; Solyev, Pavel N.; Volodin, Alexander D.; Korlyukov, Alexander; Novikov, Roman A.; Tomilov, Yury","Stereoselective synthesis of functionalized perhydropyrrolo[1,2-b]isoxazoles based on (3+2)-annulation of donor-acceptor cyclopropanes and isoxazolines","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01604E","","","0.71073","MoKα","","0.0519","0.0386","","","0.1013","0.107","","","","","","1.06","","","","has coordinates","303471","2025-11-28","02:04:51",""
"7160880","8.598","0.006","10.18","0.006","12.966","0.012","71.3","0.03","80.52","0.03","76.2","0.03","1039.1","1.4","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O9 -","- C21 H22 N2 O9 -","- C42 H44 N4 O18 -","2","1","","Potapov, Konstantin V.; Novikov, Maxim A.; Kozmenko, Yaroslav V.; Solyev, Pavel N.; Volodin, Alexander D.; Korlyukov, Alexander; Novikov, Roman A.; Tomilov, Yury","Stereoselective synthesis of functionalized perhydropyrrolo[1,2-b]isoxazoles based on (3+2)-annulation of donor-acceptor cyclopropanes and isoxazolines","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01604E","","","0.71073","MoKα","","0.104","0.058","","","0.1372","0.1544","","","","","","1.048","","","","has coordinates","303471","2025-11-28","02:04:53",""
"7160881","8.647","0.003","9.67","0.003","13.495","0.004","95.771","0.006","105.308","0.006","111.831","0.007","985.1","0.5","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N O9 -","- C20 H25 N O9 -","- C40 H50 N2 O18 -","2","1","","Potapov, Konstantin V.; Novikov, Maxim A.; Kozmenko, Yaroslav V.; Solyev, Pavel N.; Volodin, Alexander D.; Korlyukov, Alexander; Novikov, Roman A.; Tomilov, Yury","Stereoselective synthesis of functionalized perhydropyrrolo[1,2-b]isoxazoles based on (3+2)-annulation of donor-acceptor cyclopropanes and isoxazolines","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01604E","","","0.71073","MoKα","","0.0973","0.0534","","","0.1319","0.1451","","","","","","1.051","","","","has coordinates","303471","2025-11-28","02:04:54",""
"7160882","6.8712","0.0002","24.6723","0.0007","9.0721","0.0003","90","","91.358","0.002","90","","1537.55","0.08","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Wang, Jianjun; Zhang, Xiao; Zhang, Shiwei; Liu, Wei; Shi, Yian","Pd-Catalyzed Efficient Synthesis of Benzo[4,5]imidazo[1,2-a]indoles with Diaziridinone","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01335F","","","1.34139","GaKα","","0.0616","0.0459","","","0.1176","0.13","","","","","","1.051","","","","has coordinates","303472","2025-11-28","02:05:22",""
"7160883","5.139","0.0002","12.3696","0.0005","12.8834","0.0005","106.286","0.001","96.791","0.001","101.912","0.001","755.53","0.05","273.15","","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C40 H32 O4 -","2","1","","Nur, Asadujjaman; Kar, Abhishek; Mandal, Kush; Sahoo, Raj Kamal; Jana, Umasish","FeCl<sub>3</sub> catalyzed synthesis of fluorene-C-9-linked furan hybrids from biphenyl-linked conjugated ene-yne-ketones.","Organic & biomolecular chemistry","2025","23","46","10606","10616","10.1039/d5ob01258a","","","0.71073","MoKα","","0.1243","0.0978","","","0.1837","0.1955","","","","","","1.172","","","","has coordinates","303476","2025-11-28","21:52:03",""
"7160884","7.4948","0.0003","15.2477","0.0006","13.4941","0.0005","90","","96.498","0.0015","90","","1532.18","0.1","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C16 H11.5 B0.5 Cl F N3 O4 Zn0.5 -","- C16 H11.5 B0.5 Cl F N3 O4 Zn0.5 -","- C64 H46 B2 Cl4 F4 N12 O16 Zn2 -","4","1","","Gapare, Rosinah Liandrah; Diaz-Rodriguez, Roberto M; Williams, Victoria A.; Atwood, Mark; Cotnam, Michael J.; Hilborn, James W.; Johnson, Erin R.; Robertson, Katherine N.; Thompson, Alison","Reactivity of an aza-dipyrrin and an aza-BODIPY motif bearing two 2-pyridyl units: an emissive NNN binding pocket.","Organic & biomolecular chemistry","2025","23","45","10391","10397","10.1039/d5ob01628b","","","0.71073","MoKα","","0.0653","0.0459","","","0.1239","0.147","","","","","","1.149","","","","has coordinates,has disorder","303477","2025-11-28","21:56:19",""
"7160885","26.9988","0.001","15.4607","0.0006","7.3713","0.0003","90","","98.7872","0.0013","90","","3040.8","0.2","150","2","150","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C32 H23.5 B0.5 Cl2 F N6 O8 Zn -","- C32 H23.5 B0.5 Cl2 F N6 O8 Zn -","- C128 H94 B2 Cl8 F4 N24 O32 Zn4 -","4","0.5","","Gapare, Rosinah Liandrah; Diaz-Rodriguez, Roberto M; Williams, Victoria A.; Atwood, Mark; Cotnam, Michael J.; Hilborn, James W.; Johnson, Erin R.; Robertson, Katherine N.; Thompson, Alison","Reactivity of an aza-dipyrrin and an aza-BODIPY motif bearing two 2-pyridyl units: an emissive NNN binding pocket.","Organic & biomolecular chemistry","2025","23","45","10391","10397","10.1039/d5ob01628b","","","0.71073","MoKα","","0.0763","0.0574","","","0.1406","0.1626","","","","","","1.094","","","","has coordinates,has disorder","303477","2025-11-28","21:56:21",""
"7160886","11.1073","0.0011","13.2874","0.0012","15.8308","0.0015","90","","103.447","0.002","90","","2272.4","0.4","200.05","","200.05","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","beta-2-pyridyl aza-dipyrrin","N-[5-phenyl-3-(2-pyridyl)-2H-pyrrol-2-ylidene]-3-(2-pyridyl)-1H-pyrrol-2-amine","","- C30 H21 N5 -","- C30 H21 N5 -","- C120 H84 N20 -","4","1","","Gapare, Rosinah Liandrah; Diaz-Rodriguez, Roberto M; Williams, Victoria A.; Atwood, Mark; Cotnam, Michael J.; Hilborn, James W.; Johnson, Erin R.; Robertson, Katherine N.; Thompson, Alison","Reactivity of an aza-dipyrrin and an aza-BODIPY motif bearing two 2-pyridyl units: an emissive NNN binding pocket.","Organic & biomolecular chemistry","2025","23","45","10391","10397","10.1039/d5ob01628b","","","0.71073","MoKα","","0.1131","0.0539","","","0.1112","0.1414","","","","","","1.013","","","","has coordinates,has disorder","303477","2025-11-28","21:56:22",""
"7160887","14.4995","0.0008","7.043","0.0004","23.6436","0.0013","90","","101.867","0.001","90","","2362.9","0.2","208.15","","208.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","beta-2-pyridyl aza-BODIPY","(4,4)-Difluoro[5-phenyl-N-[5-phenyl-3-(2-pyridyl)-2H-pyrrol-2-ylidene-kN]-3-(2-pyridyl)-1H-pyrrol-2-aminato-kN1]boron","","- C30 H20 B F2 N5 -","- C30 H20 B F2 N5 -","- C120 H80 B4 F8 N20 -","4","1","","Gapare, Rosinah Liandrah; Diaz-Rodriguez, Roberto M; Williams, Victoria A.; Atwood, Mark; Cotnam, Michael J.; Hilborn, James W.; Johnson, Erin R.; Robertson, Katherine N.; Thompson, Alison","Reactivity of an aza-dipyrrin and an aza-BODIPY motif bearing two 2-pyridyl units: an emissive NNN binding pocket.","Organic & biomolecular chemistry","2025","23","45","10391","10397","10.1039/d5ob01628b","","","0.71073","MoKα","","0.0527","0.0387","","","0.0982","0.1078","","","","","","1.019","","","","has coordinates","303477","2025-11-28","21:56:24",""
"7160888","7.3293","0.0003","15.3801","0.0006","13.5077","0.0005","90","","97.935","0.002","90","","1508.08","0.1","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H12 Cl N3 O4 Zn0.5 -","- C16 H12 Cl N3 O4 Zn0.5 -","- C64 H48 Cl4 N12 O16 Zn2 -","4","1","","Gapare, Rosinah Liandrah; Diaz-Rodriguez, Roberto M; Williams, Victoria A.; Atwood, Mark; Cotnam, Michael J.; Hilborn, James W.; Johnson, Erin R.; Robertson, Katherine N.; Thompson, Alison","Reactivity of an aza-dipyrrin and an aza-BODIPY motif bearing two 2-pyridyl units: an emissive NNN binding pocket.","Organic & biomolecular chemistry","2025","23","45","10391","10397","10.1039/d5ob01628b","","","1.54178","CuKα","","0.1605","0.1275","","","0.3236","0.361","","","","","","1.181","","","","has coordinates,has disorder","303477","2025-11-28","21:56:25",""
"7160889","14.8066","0.001","14.384","0.0009","13.0436","0.0008","90","","90","","90","","2778","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H28 B F2 N5 O2 -","- C32 H28 B F2 N5 O2 -","- C128 H112 B4 F8 N20 O8 -","4","1","","Gapare, Rosinah Liandrah; Diaz-Rodriguez, Roberto M; Williams, Victoria A.; Atwood, Mark; Cotnam, Michael J.; Hilborn, James W.; Johnson, Erin R.; Robertson, Katherine N.; Thompson, Alison","Reactivity of an aza-dipyrrin and an aza-BODIPY motif bearing two 2-pyridyl units: an emissive NNN binding pocket.","Organic & biomolecular chemistry","2025","23","45","10391","10397","10.1039/d5ob01628b","","","1.54178","CuKα","","0.0266","0.0264","","","0.0697","0.07","","","","","","1.054","","","","has coordinates","303477","2025-11-28","21:56:26",""
"7160890","15.8406","0.0004","10.8382","0.0002","18.0928","0.0004","90","","98.0047","0.001","90","","3075.97","0.12","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 B Cl3 F2 N5 O -","- C32.999 H26.999 B Cl2.997 F2 N5 O -","- C131.996 H107.996 B4 Cl11.988 F8 N20 O4 -","4","1","","Gapare, Rosinah Liandrah; Diaz-Rodriguez, Roberto M; Williams, Victoria A.; Atwood, Mark; Cotnam, Michael J.; Hilborn, James W.; Johnson, Erin R.; Robertson, Katherine N.; Thompson, Alison","Reactivity of an aza-dipyrrin and an aza-BODIPY motif bearing two 2-pyridyl units: an emissive NNN binding pocket.","Organic & biomolecular chemistry","2025","23","45","10391","10397","10.1039/d5ob01628b","","","0.71073","MoKα","","0.0887","0.0535","","","0.1308","0.1736","","","","","","1.175","","","","has coordinates,has disorder","303477","2025-11-28","21:56:27",""
"7160891","9.9104","0.0005","12.0992","0.0005","23.9514","0.0011","90","","98.431","0.002","90","","2840.9","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C65.5 H56 B2 Cl F4 N10 O2.5 -","- C65.5 H56 B2 Cl F4 N10 O2.5 -","- C131 H112 B4 Cl2 F8 N20 O5 -","2","1","","Gapare, Rosinah Liandrah; Diaz-Rodriguez, Roberto M; Williams, Victoria A.; Atwood, Mark; Cotnam, Michael J.; Hilborn, James W.; Johnson, Erin R.; Robertson, Katherine N.; Thompson, Alison","Reactivity of an aza-dipyrrin and an aza-BODIPY motif bearing two 2-pyridyl units: an emissive NNN binding pocket.","Organic & biomolecular chemistry","2025","23","45","10391","10397","10.1039/d5ob01628b","","","0.71073","MoKα","","0.0752","0.0571","","","0.1058","0.1133","","","","","","1.088","","","","has coordinates,has disorder","303477","2025-11-28","21:56:27",""
"7160892","7.2115","0.0003","12.6602","0.0006","16.8614","0.0008","109.497","0.0016","101.797","0.0017","94.2487","0.0018","1403.51","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 Cl2 N5 O8 -","- C30 H23 Cl2 N5 O8 -","- C60 H46 Cl4 N10 O16 -","2","1","","Gapare, Rosinah Liandrah; Diaz-Rodriguez, Roberto M; Williams, Victoria A.; Atwood, Mark; Cotnam, Michael J.; Hilborn, James W.; Johnson, Erin R.; Robertson, Katherine N.; Thompson, Alison","Reactivity of an aza-dipyrrin and an aza-BODIPY motif bearing two 2-pyridyl units: an emissive NNN binding pocket.","Organic & biomolecular chemistry","2025","23","45","10391","10397","10.1039/d5ob01628b","","","0.71073","MoKα","","0.0633","0.0444","","","0.1068","0.1291","","","","","","1.133","","","","has coordinates,has disorder","303477","2025-11-28","21:56:27",""
"7160893","7.6675","0.0003","13.8014","0.0006","32.2054","0.0014","90","","91.4782","0.0017","90","","3406.9","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H47 B2 F16 N11 O12 S4 -","- C65.9998 H47 B2 F15.9994 N11 O11.9994 S3.9998 -","- C132 H94 B4 F31.9988 N22 O23.9988 S7.9996 -","2","1","","Gapare, Rosinah Liandrah; Diaz-Rodriguez, Roberto M; Williams, Victoria A.; Atwood, Mark; Cotnam, Michael J.; Hilborn, James W.; Johnson, Erin R.; Robertson, Katherine N.; Thompson, Alison","Reactivity of an aza-dipyrrin and an aza-BODIPY motif bearing two 2-pyridyl units: an emissive NNN binding pocket.","Organic & biomolecular chemistry","2025","23","45","10391","10397","10.1039/d5ob01628b","","","0.71073","MoKα","","0.0751","0.0537","","","0.1385","0.1617","","","","","","1.117","","","","has coordinates,has disorder","303477","2025-11-28","21:56:28",""
"7160894","10.4038","0.0001","9.6133","0.0001","18.9014","0.0003","90","","103.19","0.001","90","","1840.55","0.04","299","2","299","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3a","","- C25 H22 O -","- C25 H22 O -","- C100 H88 O4 -","4","1","","Tostado, Jaime; Sánchez-Jiménez, Lucía; Fernández-Rodríguez, Manuel A","Selective synthesis of 4,5-dihydropyrenes by a Brønsted acid-catalyzed cyclization cascade of biphenyl-embedded enynes.","Organic & biomolecular chemistry","2025","","","","","10.1039/d5ob01626f","","","1.54178","CuKα","","0.0675","0.0469","","","0.1179","0.1472","","","","","","1.111","","","","has coordinates","303485","2025-11-29","01:40:30",""
"7160895","12.782","0.019","15.878","0.018","8.643","0.011","90","","93.91","0.05","90","","1750","4","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N O3 -","- C19 H14 Cl N O3 -","- C76 H56 Cl4 N4 O12 -","4","1","","Kameshwaran, Chinnagounder; Nawaz Khan, Fazlur-Rahman","Ruthenium-Catalyzed Late-Stage C–H Alkenylation of N-arylpyridazino[4,5-b] quinolin-1(2H)-ones","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01511A","","","0.71073","MoKα","","0.1347","0.066","","","0.1623","0.2068","","","","","","1.02","","","","has coordinates","303487","2025-11-29","01:41:33",""
"7160896","13.329","0.0006","6.8873","0.0003","19.3643","0.0009","90","","100.513","0.002","90","","1747.82","0.14","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N4 O -","- C22 H14 N4 O -","- C88 H56 N16 O4 -","4","1","","Kameshwaran, Chinnagounder; Nawaz Khan, Fazlur-Rahman","Ruthenium-Catalyzed Late-Stage C–H Alkenylation of N-arylpyridazino[4,5-b] quinolin-1(2H)-ones","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01511A","","","0.71073","MoKα","","0.0942","0.0469","","","0.117","0.1504","","","","","","1.042","","","","has coordinates","303487","2025-11-29","01:41:34",""
"7160897","11.925","0.003","11.551","0.003","14.849","0.004","90","","97.201","0.008","90","","2029.3","0.9","300","2","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H12 Cl3 N3 O -","- C23 H12 Cl3 N3 O -","- C92 H48 Cl12 N12 O4 -","4","1","","Kameshwaran, Chinnagounder; Nawaz Khan, Fazlur-Rahman","Ruthenium-Catalyzed Late-Stage C–H Alkenylation of N-arylpyridazino[4,5-b] quinolin-1(2H)-ones","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01511A","","","0.71073","MoKα","","0.0563","0.0462","","","0.1389","0.15","","","","","","1.022","","","","has coordinates","303487","2025-11-29","01:41:35",""
"7160898","9.7967","0.0016","9.985","0.0017","10.4267","0.0018","100.814","0.005","104.185","0.005","117.719","0.005","819.5","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl N3 O -","- C20 H14 Cl N3 O -","- C40 H28 Cl2 N6 O2 -","2","1","","Kameshwaran, Chinnagounder; Nawaz Khan, Fazlur-Rahman","Ruthenium-Catalyzed Late-Stage C–H Alkenylation of N-arylpyridazino[4,5-b] quinolin-1(2H)-ones","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01511A","","","0.71073","MoKα","","0.0924","0.0495","","","0.1067","0.13","","","","","","1.023","","","","has coordinates","303487","2025-11-29","01:41:35",""
"7160899","9.9616","0.0009","10.8396","0.001","11.1734","0.001","92.854","0.004","99.122","0.004","92.843","0.004","1187.74","0.19","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H14 Br Cl3 F N3 O -","- C24 H14 Br Cl3 F N3 O -","- C48 H28 Br2 Cl6 F2 N6 O2 -","2","1","","Kameshwaran, Chinnagounder; Nawaz Khan, Fazlur-Rahman","Ruthenium-Catalyzed Late-Stage C–H Alkenylation of N-arylpyridazino[4,5-b] quinolin-1(2H)-ones","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01511A","","","0.71073","MoKα","","0.1716","0.0888","","","0.2472","0.2954","","","","","","1.05","","","","has coordinates","303487","2025-11-29","01:41:35",""
"7160900","14.9493","0.0011","7.5272","0.0006","16.268","0.0012","90","","92.674","0.003","90","","1828.6","0.2","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 Cl N3 O -","- C23 H14 Cl N3 O -","- C92 H56 Cl4 N12 O4 -","4","1","","Kameshwaran, Chinnagounder; Nawaz Khan, Fazlur-Rahman","Ruthenium-Catalyzed Late-Stage C–H Alkenylation of N-arylpyridazino[4,5-b] quinolin-1(2H)-ones","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01511A","","","0.71073","MoKα","","0.1004","0.0524","","","0.1113","0.1421","","","","","","1.022","","","","has coordinates","303487","2025-11-29","01:41:36",""
"7160901","10.4666","0.0006","13.69","0.0008","14.9463","0.0009","90","","100.902","0.002","90","","2103","0.2","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 N3 O3 -","- C27 H19 N3 O3 -","- C108 H76 N12 O12 -","4","1","","Kameshwaran, Chinnagounder; Nawaz Khan, Fazlur-Rahman","Ruthenium-Catalyzed Late-Stage C–H Alkenylation of N-arylpyridazino[4,5-b] quinolin-1(2H)-ones","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01511A","","","0.71073","MoKα","","0.0726","0.0438","","","0.1021","0.1257","","","","","","1.047","","","","has coordinates","303487","2025-11-29","01:41:36",""
"7160902","24.6996","0.0009","12.4147","0.0004","18.1999","0.0006","90","","126.045","0.001","90","","4512.4","0.3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Cl N3 O3 -","- C27 H18 Cl N3 O3 -","- C216 H144 Cl8 N24 O24 -","8","1","","Kameshwaran, Chinnagounder; Nawaz Khan, Fazlur-Rahman","Ruthenium-Catalyzed Late-Stage C–H Alkenylation of N-arylpyridazino[4,5-b] quinolin-1(2H)-ones","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01511A","","","0.71073","MoKα","","0.0804","0.0474","","","0.1124","0.1318","","","","","","1.037","","","","has coordinates","303487","2025-11-29","01:41:36",""
"7160903","5.9783","0.001","10.038","0.002","25.696","0.005","90.518","0.008","91.336","0.007","93.881","0.007","1538","0.5","223","","223","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H21 N3 -","- C17 H21 N3 -","- C68 H84 N12 -","4","2","","Zheng, Zhe; Ma, Hongqiang; Jin, Hongwei; Zhou, Bingwei; Hu, Yuanyuan","Nickel-Catalyzed Isocyanide Insertion Reaction with Aromatic Amines: Direct Access to Open-Chain Guanidines","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01509J","","","0.71073","MoKα","","0.1241","0.1013","","","0.274","0.2901","","","","","","1.0559","","","","has coordinates","303488","2025-11-29","01:42:17",""
"7160904","10.237","0.0001","15.8519","0.0001","25.244","0.0002","90","","90","","90","","4096.49","0.06","100","0.3","100","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-((3R,5'S)-1-methyl-2-oxo-5'-phenyl-5'H-spiro[indoline-3,2'-oxazol]-5'-yl)isoindoline-1,3-dione","","- C28.57 H19.43 N3.43 O4.57 -","- C28.5714 H19.4286 N3.42857 O4.57143 -","- C200 H136 N24 O32 -","7","0.875","","Nikolaeva, Anna A.; Filippov, Ilya P.; Polekh, Oleg E.; Pankova, Alena S.; Rostovskii, Nikolai V.","A telescoped diastereoselective synthesis of phthalimido-substituted spiro-oxazoline oxindoles via aziridine expansion strategy","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01645B","","x-ray","1.54184","CuKα","","0.0347","0.033","","","0.0832","0.0845","","","","","","1.047","","","","has coordinates","303489","2025-11-29","01:42:41",""
"7160905","9.2488","0.0001","14.7887","0.0001","11.2074","0.0001","90","","95.887","0.001","90","","1524.84","0.02","304.06","0.1","304.06","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 N2 O4 P -","- C13 H21 N2 O4 P -","- C52 H84 N8 O16 P4 -","4","1","","Kholany, Rawda; Mardini, Alaa A.; Shakirova, Ksenia; Islamov, Daut; Gerasimov, Alexander; Klimovitskii, Alexander; Vavilova, Alena A.; Mostovaya, Olga; Gazizova, Asiya; Stoikov, Ivan","Green Synthesis of α-Aminophosphonates: From Hydrogen-Bonded Janus Dimers to Pharmaceutical Potential","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01712B","","x-ray","1.54184","CuKα","","0.0484","0.0464","","","0.1216","0.1239","","","","","","1.126","","","","has coordinates","303979","2025-11-30","01:38:29",""
"7160906","8.3755","0.0004","8.906","0.0003","14.1032","0.0005","79.245","0.003","82.358","0.003","72.517","0.004","982.44","0.07","303.8","0.9","303.8","0.9","","","","","","","","5","P -1","-P 1","2","","","","- C17 H29 N2 O4 P -","- C17 H29 N2 O4 P -","- C34 H58 N4 O8 P2 -","2","1","","Kholany, Rawda; Mardini, Alaa A.; Shakirova, Ksenia; Islamov, Daut; Gerasimov, Alexander; Klimovitskii, Alexander; Vavilova, Alena A.; Mostovaya, Olga; Gazizova, Asiya; Stoikov, Ivan","Green Synthesis of α-Aminophosphonates: From Hydrogen-Bonded Janus Dimers to Pharmaceutical Potential","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01712B","","x-ray","1.54184","CuKα","","0.1116","0.1057","","","0.3349","0.3411","","","","","","1.524","","","","has coordinates,has disorder","303979","2025-11-30","01:38:29",""
"7160907","29.3313","0.0006","9.237","0.0002","14.2141","0.0004","90","","90","","90","","3851.07","0.16","304.7","0.5","304.7","0.5","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H29 N2 O4 P -","- C17 H29 N2 O4 P -","- C136 H232 N16 O32 P8 -","8","2","","Kholany, Rawda; Mardini, Alaa A.; Shakirova, Ksenia; Islamov, Daut; Gerasimov, Alexander; Klimovitskii, Alexander; Vavilova, Alena A.; Mostovaya, Olga; Gazizova, Asiya; Stoikov, Ivan","Green Synthesis of α-Aminophosphonates: From Hydrogen-Bonded Janus Dimers to Pharmaceutical Potential","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01712B","","x-ray","1.54184","CuKα","","0.2606","0.2583","","","0.4849","0.4896","","","","","","2.459","","","","has coordinates","303979","2025-11-30","01:38:30",""
"7160908","3.9146","0.0019","13.289","0.007","21.939","0.011","90","","90","","90","","1141.3","1","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-chlorophenyl)isatin","","- C14 H8 Cl N O2 -","- C14 H8 Cl N O2 -","- C56 H32 Cl4 N4 O8 -","4","1","","Rakshit, Ankita J.; Saikia, Raktim Abha; Deka, Snata; Thakur, Ashim Jyoti","Copper-catalyzed N-arylation of Isatins Employing Aryl(TMP)iodonium Salts","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01451D","","","0.71073","MoKα","","0.2295","0.0816","","","0.1679","0.2374","","","","","","0.921","","","","has coordinates","303994","2025-12-02","01:57:00",""
"7160909","21.146","0.014","6.933","0.005","7.634","0.005","90","","90","","90","","1119.2","1.3","296.15","","296.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","5-fluoro-1-phenylisatin","","- C14 H8 F N O2 -","- C14 H8 F N O2 -","- C56 H32 F4 N4 O8 -","4","1","","Rakshit, Ankita J.; Saikia, Raktim Abha; Deka, Snata; Thakur, Ashim Jyoti","Copper-catalyzed N-arylation of Isatins Employing Aryl(TMP)iodonium Salts","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01451D","","","0.71073","MoKα","","0.1747","0.0837","","","0.1872","0.242","","","","","","0.959","","","","has coordinates","303994","2025-12-02","01:57:10",""
"7160910","3.938","0.006","13.9","0.02","43.76","0.06","98.65","0.05","88.67","0.05","89.92","0.05","2367","6","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","1-(4-bromophenyl)isatin","1-(4-bromophenyl)indoline-2,3-dione","","- C14 H8 Br N O2 -","- C14 H8 Br N O2 -","- C112 H64 Br8 N8 O16 -","8","4","","Rakshit, Ankita J.; Saikia, Raktim Abha; Deka, Snata; Thakur, Ashim Jyoti","Copper-catalyzed N-arylation of Isatins Employing Aryl(TMP)iodonium Salts","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01451D","","","0.71073","MoKα","","0.2525","0.0983","","","0.2385","0.3318","","","","","","0.84","","","","has coordinates","303994","2025-12-02","01:57:12",""
"7160911","10.8056","0.0001","9.2147","0.0001","23.0221","0.0003","90","","102.849","0.001","90","","2234.92","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N4 Se -","- C25 H26 N4 Se -","- C100 H104 N16 Se4 -","4","1","","Zhu, Li-Li; Tian, Lifang; Zhang, Zijian; Li, Qinying; Tian, Yingying; Han, Xiaofeng; Li, Jiawei; Liu, Guang-Lu; Zhang, Hui; Wang, Yahui","Regioselective β-organoseleno/α-,N2-tetrazole addition to alkenes","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01622C","","x-ray","1.54184","CuKα","","0.0321","0.0317","","","0.0841","0.0843","","","","","","1.095","","","","has coordinates","304012","2025-12-03","02:13:39",""
"7160913","17.209","0.002","8.9721","0.0007","15.6404","0.0015","90","","116.759","0.003","90","","2156.3","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O4 S -","- C24 H23 N O4 S -","- C96 H92 N4 O16 S4 -","4","1","","Ju, Dongyuan; Wang, Binggang; Kang, Jiaao; Hu, Kewei; Song, Zhiguang","Asymmetric synthesis of isoindolines via a palladium-catalyzed enantioselective intramolecular oxidative aminoacetoxylation reaction","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01595B","","","0.71073","MoKα","","0.0402","0.0371","","","0.1002","0.1035","","","","","","1.048","","","","has coordinates,has disorder","304045","2025-12-05","02:49:59",""
"7160914","11.9728","0.0005","12.8627","0.0006","30.3408","0.0017","90","","90","","90","","4672.6","0.4","299","","299","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C25 H25 N O5 S -","- C25 H25 N O5 S -","- C200 H200 N8 O40 S8 -","8","1","","Ju, Dongyuan; Wang, Binggang; Kang, Jiaao; Hu, Kewei; Song, Zhiguang","Asymmetric synthesis of isoindolines via a palladium-catalyzed enantioselective intramolecular oxidative aminoacetoxylation reaction","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01595B","","","0.71073","MoKα","","0.0354","0.0308","","","0.0787","0.0829","","","","","","1.039","","","","has coordinates","304045","2025-12-05","02:50:01",""
"7160915","30.5483","0.001","19.5935","0.0006","11.6668","0.0003","90","","90","","90","","6983.1","0.4","110.4","0.8","110.4","0.8","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C15 H13 F3 I N O5 S -","- C15 H13 F3 I N O5 S -","- C240 H208 F48 I16 N16 O80 S16 -","16","1","","Zhan, Xiangyu; You, Yong; Li, Cong; Du, Yunfei; Xiao, Dan; Xu, Lingzhi; Zhang, Shuoshuo","Preparation of Pseudocyclic I(III) Reagents and Their Application in Selective Oxidations","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01641J","","x-ray","0.71073","MoKα","","0.0233","0.0194","","","0.044","0.0457","","","","","","1.023","","","","has coordinates","304046","2025-12-05","02:50:27",""
"7160916","9.222","0.003","10.291","0.003","12.395","0.004","92.926","0.009","110.642","0.009","98.522","0.009","1081.9","0.6","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C23.5 H18 Cl N O3 -","- C23.5 H18 Cl N O3 -","- C47 H36 Cl2 N2 O6 -","2","1","","Zhang, Xinyuan; Sun, Yufang; Qu, Yujie; Xie, Shengxing; Yang, Fuchun; Wang, Chengyu; Du, Jiawen; Zhu, Xiaofeng; Kong, Lingkai; Wang, Neng-Fei","TBAI-catalyzed C-H bond activation to construct the C<sub>(sp3)</sub>-O bond in water: synthesis of indole-3-carboxylic-α-esters under metal-free conditions.","Organic & biomolecular chemistry","2025","23","47","10674","10678","10.1039/d5ob01449b","","","0.71073","MoKα","","0.0754","0.0614","","","0.1751","0.1918","","","","","","1.009","","","","has coordinates,has disorder","304062","2025-12-05","23:49:29",""
"7160917","5.732","0.002","8.394","0.003","23.847","0.008","90","","90.848","0.005","90","","1147.3","0.7","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N4 -","- C15 H10 N4 -","- C60 H40 N16 -","4","1","","Liu, Xinxiang; Wang, Huijuan; Liu, Yalan; Wang, Can; Liu, Chao-Yang; Chen, Yunfeng","A Facile Synthesis of [1,2,3]Triazolo[1,5-a]quinazolines via Copper-Catalyzed Tandem Reaction and Its Denitrogenative Transformation to 2-Acyl-quinazolines","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01737H","","x-ray","0.71073","MoKα","","0.0709","0.0519","","","0.141","0.1602","","","","","","1.029","","","","has coordinates","304162","2025-12-10","02:35:27",""
"7160918","27.7159","0.0009","9.35","0.0003","21.0421","0.0006","90","","98.551","0.003","90","","5392.3","0.3","173","2","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H33 I2 N3 O Ru -","- C26 H33 I2 N3 O Ru -","- C208 H264 I16 N24 O8 Ru8 -","8","1","","Gong, Zhi-Yuan; Tao, Sheng; Li, Xiao-Bin; Wang, Tao; Chen, Fei; Du, Zhi-Hong; Bo, Chun-Bo; Li, Min; Liu, Ning","N-Heterocyclic Carbene Ruthenium Complexes Synthesized by Hydrogen-Bonding-Assisted Strategy for Dehydrogenative Rearrangement of Esters","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01811K","","","1.54178","CuKα","","0.0501","0.0431","","","0.1108","0.1172","","","","","","1.053","","","","has coordinates","304163","2025-12-10","02:36:14",""
"7160919","12.2763","0.0004","11.1841","0.0004","17.7735","0.0006","90","","104.015","0.001","90","","2367.65","0.14","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 I N2 Ru -","- C26 H29 I N2 Ru -","- C104 H116 I4 N8 Ru4 -","4","1","","Gong, Zhi-Yuan; Tao, Sheng; Li, Xiao-Bin; Wang, Tao; Chen, Fei; Du, Zhi-Hong; Bo, Chun-Bo; Li, Min; Liu, Ning","N-Heterocyclic Carbene Ruthenium Complexes Synthesized by Hydrogen-Bonding-Assisted Strategy for Dehydrogenative Rearrangement of Esters","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01811K","","","1.54178","CuKα","","0.0426","0.0395","","","0.1053","0.108","","","","","","1.071","","","","has coordinates","304163","2025-12-10","02:36:16",""
"7160920","8.3565","0.0002","11.5771","0.0003","11.7765","0.0003","74.775","0.001","71.853","0.001","83.642","0.001","1044.12","0.05","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl2 I2 N2 Ru -","- C18 H20 Cl2 I2 N2 Ru -","- C36 H40 Cl4 I4 N4 Ru2 -","2","1","","Gong, Zhi-Yuan; Tao, Sheng; Li, Xiao-Bin; Wang, Tao; Chen, Fei; Du, Zhi-Hong; Bo, Chun-Bo; Li, Min; Liu, Ning","N-Heterocyclic Carbene Ruthenium Complexes Synthesized by Hydrogen-Bonding-Assisted Strategy for Dehydrogenative Rearrangement of Esters","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01811K","","","1.54178","CuKα","","0.0456","0.0433","","","0.1203","0.1227","","","","","","1.076","","","","has coordinates","304163","2025-12-10","02:36:16",""
"7160921","15.5995","0.0004","7.9181","0.0002","16.7838","0.0005","90","","98.011","0.001","90","","2052.88","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 I2 N2 Ru -","- C19 H24 I2 N2 Ru -","- C76 H96 I8 N8 Ru4 -","4","1","","Gong, Zhi-Yuan; Tao, Sheng; Li, Xiao-Bin; Wang, Tao; Chen, Fei; Du, Zhi-Hong; Bo, Chun-Bo; Li, Min; Liu, Ning","N-Heterocyclic Carbene Ruthenium Complexes Synthesized by Hydrogen-Bonding-Assisted Strategy for Dehydrogenative Rearrangement of Esters","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01811K","","","0.71073","MoKα","","0.0257","0.0231","","","0.051","0.0519","","","","","","1.05","","","","has coordinates","304163","2025-12-10","02:36:16",""
"7160922","7.54522","0.00007","16.10301","0.00015","24.9287","0.0002","90","","90","","90","","3028.86","0.05","100.01","0.14","100.01","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 N4 Ni O3 -","- C34 H36 N4 Ni O3 -","- C136 H144 N16 Ni4 O12 -","4","1","","Khachatryan, Emma A.; Stepanyan, Lala A.; Gevorgyan, Hasmik; Sargsyan, Armen; Hovhannisyan, Anahit; Mkrtchyan, Anna; Malkov, Andrei; Saghyan, Ashot S.","Synthesis of enantiomerically enriched β-N-amino substituted analogs of the (S)-α-alanine via sequential nucleophilic Michael addition, cross-coupling and [3+2]-cycloaddition reactions on the coordination sphere of a chiral Ni(II) complex of amino acid Schiff bases","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01593F","","x-ray","0.71073","MoKα","","0.0236","0.0222","","","0.0564","0.0571","","","","","","1.042","","","","has coordinates","304164","2025-12-10","02:36:58",""
"7160923","23.6425","0.0008","13.8768","0.0008","36.184","0.0014","90","","104.233","0.003","90","","11506.9","0.9","293","","293","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C48 H56 B2 F24 N2 O6 -","- C43.965 H45.245 B2 F22.38 N2 O6 -","- C351.72 H361.96 B16 F179.04 N16 O48 -","8","2","","Han, Shumi; Dou, Yingchao; Niu, Jun-Long","One-step synthesis of chiral multifluorine-substituted-alkoxy boranils using H3BO3 as boron source","Organic & Biomolecular Chemistry","2025","","","","","10.1039/D5OB01781E","","","0.71073","MoKα","","0.132","0.096","","","0.2687","0.3352","","","","","","1.232","","","","has coordinates,has disorder","304165","2025-12-10","02:37:42",""
"7249460","16.07317","0.0001","6.24689","0.00004","35.5828","0.0002","90","","101.201","0.0006","90","","3504.71","0.04","100","0.2","100","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C176 H136 F32 N8 O8 -","8","1","","Sakshi,; Gupta, Yogita; Robertson, Craig M.; Munshi, Parthapratim; Roy Choudhury, Angshuman","Organic fluorine mediated intermolecular interactions: insights from experimental and theoretical charge density analyses","CrystEngComm","2025","27","4","478","487","10.1039/D4CE00829D","","x-ray","0.71073","MoKα","","0.0368","0.0326","","","0.105","0.1092","","","","","","1.081","","","","has coordinates","298190","2025-03-04","19:45:46",""
"7249575","17.0841","0.0008","17.0841","0.0008","14.98","0.0009","90","","90","","120","","3786.4","0.3","296.15","","296.15","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C61 H73.97 Co3 N8 O22 -","- C43.9998 H25.9998 Co3 N3.9999 O13 -","- C87.9996 H51.9996 Co6 N7.9998 O26 -","2","0.0833333","","Ding, Wenyu; Tang, Xinyu; Jin, Sheng; Li, Zhao; Xu, Dongwei; Kang, Xiaomin; Liu, Zhiliang","High-efficiency green catalytic conversion for waste CS2 by non-noble metal cage-based MOFs: an access pathway to high-value thiazolidine-2-thione","Green Chemistry","2025","27","1","218","226","10.1039/D4GC04541F","","","0.71073","MoKα","","0.0493","0.0379","","","0.1001","0.1062","","","","","","1.023","","","","has coordinates","298956","2025-04-05","03:26:59",""
"7249599","11.6467","0.0003","5.656","0.0001","31.9545","0.0012","90","","90","","90","","2104.96","0.1","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H6 F3 N5 O4 -","- C6 H6 F3 N5 O4 -","- C48 H48 F24 N40 O32 -","8","2","","Yin, Dangyue; Yang, Boqian; Lv, Hongyu; Song, Siwei; Wang, Yi; Zhang, Qinghua","3,5-Dinitro-1-(3,3,3-trifluoropropyl)-1H-pyrazol-4-amine as an insensitive and thermostable energetic melt-castable material","CrystEngComm","2025","27","1","8","12","10.1039/D4CE01036A","","","1.54178","CuKα","","0.0785","0.0664","","","0.1828","0.1933","","","","","","1.056","","","","has coordinates","298177","2025-03-04","19:40:07",""
"7249601","12.7721","0.0003","9.5804","0.0002","19.5867","0.0004","90","","101.106","0.002","90","","2351.78","0.09","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H8 Hg O3 S -","- C11 H8 Hg O3 S -","- C88 H64 Hg8 O24 S8 -","8","2","","Kushwaha, Aparna; Srivastava, Devyani; Kociok-Köhn, Gabriele; Ahmed, Sarfaraz; Tiekink, Edward R. T.; Kumar, Abhinav","On the nature and interplay of Hg⋯O/S spodium bonding and O⋯S chalcogen bonding in one-dimensional phenylmercury(ii) 3-alkoxycyclobutene-1,2-dione-4-thiolate coordination polymers","CrystEngComm","2025","27","1","64","80","10.1039/D4CE00879K","","x-ray","1.54184","CuKα","","0.0402","0.0396","","","0.1001","0.1005","","","","","","1.24","","","","has coordinates","298173","2025-03-04","19:38:19",""
"7249602","6.112","0.0002","7.8713","0.0003","14.3546","0.0008","101.423","0.004","102.236","0.004","90.002","0.003","660.9","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Hg O3 S -","- C12 H10 Hg O3 S -","- C24 H20 Hg2 O6 S2 -","2","1","","Kushwaha, Aparna; Srivastava, Devyani; Kociok-Köhn, Gabriele; Ahmed, Sarfaraz; Tiekink, Edward R. T.; Kumar, Abhinav","On the nature and interplay of Hg⋯O/S spodium bonding and O⋯S chalcogen bonding in one-dimensional phenylmercury(ii) 3-alkoxycyclobutene-1,2-dione-4-thiolate coordination polymers","CrystEngComm","2025","27","1","64","80","10.1039/D4CE00879K","","x-ray","0.71073","MoKα","","0.0487","0.0396","","","0.0717","0.075","","","","","","1.075","","","","has coordinates,has disorder","298173","2025-03-04","19:38:19",""
"7249622","32.329","0.0019","32.329","0.0019","7.1254","0.0005","90","","90","","120","","6449.5","0.7","296","","296","","","","","","","","","3","P 64","P 64","172","","","","- C33.05 H56.45 O2 -","- C32 H54 O2 -","- C192 H324 O12 -","6","1","","Khotchasanthong, Kenika; Pootaeng-On, Yupa; Rayanil, Kanok-on; Sukwattanasinitt, Mongkol; Laksee, Sakchai; Chainok, Kittipong","Structure features of a supramolecular organic framework self-assembled from a chiral natural compound","CrystEngComm","2025","27","3","297","301","10.1039/D4CE01008F","","x-ray","0.71073","MoKα","K-L~3~","0.0646","0.0426","","","0.0958","0.1042","","","","","","0.978","","","","has coordinates,has disorder","298221","2025-03-04","19:53:27",""
"7249623","10.201","0.004","10.349","0.004","11.762","0.005","86.291","0.01","74.948","0.008","78.418","0.009","1174.6","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 Cu3 N8 O12 -","- C42 H50 Cu3 N8 O12 -","- C42 H50 Cu3 N8 O12 -","1","0.5","","Benito, Mónica; Mahmoudi, Ghodrat; Molins, Elies; Zangrando, Ennio; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Versatile copper(ii) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid","CrystEngComm","2025","27","2","164","175","10.1039/D4CE01021C","","x-ray","0.71073","MoKα","","0.2009","0.0992","","","0.2171","0.2669","","","","","","1.056","","","","has coordinates","298197","2025-03-04","19:47:19",""
"7249624","8.7721","0.0012","11.1218","0.0016","13.0204","0.0018","91.724","0.003","107.466","0.003","105.767","0.003","1157.5","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cu N8 O3 -","- C24 H20 Cu N8 O3 -","- C48 H40 Cu2 N16 O6 -","2","1","","Benito, Mónica; Mahmoudi, Ghodrat; Molins, Elies; Zangrando, Ennio; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Versatile copper(ii) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid","CrystEngComm","2025","27","2","164","175","10.1039/D4CE01021C","","x-ray","0.71073","MoKα","","0.2104","0.074","","","0.1243","0.1699","","","","","","0.961","","","","has coordinates","298197","2025-03-04","19:47:20",""
"7249625","5.1202","0.0003","7.4808","0.0004","30.0866","0.0017","94.0667","0.0011","92.6734","0.0011","95.8618","0.0012","1141.81","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Cu N4 O7 -","- C21 H28 Cu N4 O7 -","- C42 H56 Cu2 N8 O14 -","2","1","","Benito, Mónica; Mahmoudi, Ghodrat; Molins, Elies; Zangrando, Ennio; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Versatile copper(ii) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid","CrystEngComm","2025","27","2","164","175","10.1039/D4CE01021C","","x-ray","0.71073","MoKα","","0.0363","0.0325","","","0.0847","0.0872","","","","","","1.045","","","","has coordinates","298197","2025-03-04","19:47:20",""
"7249627","15.043","0.003","7.2223","0.0013","23.229","0.004","90","","100.863","0.005","90","","2478.5","0.8","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N4 O2 S -","- C27 H28 N4 O2 S -","- C108 H112 N16 O8 S4 -","4","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.126","0.0658","","","0.1601","0.1944","","","","","","1.024","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249628","3.968","0.002","19.46","0.011","25.084","0.013","90","","91.79","0.02","90","","1936","1.8","297","2","297","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Cl2 N3 S -","- C22 H15 Cl2 N3 S -","- C88 H60 Cl8 N12 S4 -","4","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.1621","0.0778","","","0.1701","0.2131","","","","","","1.046","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249629","24.961","0.006","17.276","0.004","14.02","0.003","90","","122.367","0.007","90","","5106","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 Cl10 N6 S2 Zn -","- C46 H30 Cl10 N6 S2 Zn -","- C184 H120 Cl40 N24 S8 Zn4 -","4","0.5","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0907","0.0773","","","0.221","0.2322","","","","","","1.075","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249630","31.105","0.003","9.3163","0.001","19.108","0.002","90","","118.737","0.003","90","","4855.2","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 N8 O4 S2 Zn -","- C52 H50 N8 O4 S2 Zn -","- C208 H200 N32 O16 S8 Zn4 -","4","0.5","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0756","0.0473","","","0.1203","0.1543","","","","","","1.188","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249631","9.909","0.005","15.867","0.009","18.059","0.01","105.037","0.019","97.95","0.02","103.998","0.019","2599","2","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C46.2 H30.2 Cl10.6 N6 S2 Zn -","- C45 H29 Cl7 N6 S2 Zn -","- C90 H58 Cl14 N12 S4 Zn2 -","2","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.1161","0.0734","","","0.2175","0.2425","","","","","","1.069","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249632","8.74","0.003","16.268","0.006","18.987","0.007","83.243","0.012","85.719","0.013","85.156","0.013","2665.6","1.7","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H57 N9 O5 S2 Zn -","- C55 H57 N9 O5 S2 Zn -","- C110 H114 N18 O10 S4 Zn2 -","2","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0839","0.0625","","","0.1655","0.1787","","","","","","1.014","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249633","8.1754","0.0006","19.3485","0.0014","23.8411","0.0018","90","","90","","90","","3771.2","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N3 O S -","- C23 H19 N3 O S -","- C184 H152 N24 O8 S8 -","8","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0656","0.0425","","","0.0998","0.1105","","","","","","1.036","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249634","25.202","0.002","9.4183","0.0009","20.248","0.002","90","","90","","90","","4806.1","0.8","144","2","144","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C46 H30 Cl10 N6 S2 Zn -","- C46 H30 Cl10 N6 S2 Zn -","- C184 H120 Cl40 N24 S8 Zn4 -","4","0.5","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0755","0.0677","","","0.1734","0.1827","","","","","","1.042","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249635","4.4462","0.0003","18.662","0.0014","22.7605","0.0017","90","","90","","90","","1888.6","0.2","298","2","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 Cl2 N3 S -","- C22 H15 Cl2 N3 S -","- C88 H60 Cl8 N12 S4 -","4","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.1264","0.0642","","","0.1084","0.1401","","","","","","1.176","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249638","7.37282","0.00015","9.47074","0.0002","11.36393","0.00022","90","","103.801","0.0011","90","","770.59","0.03","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","HoCr3(BO3)4","- B4 Cr3 Ho O12 -","- B4 Cr3 Ho O12 -","- B16 Cr12 Ho4 O48 -","4","0.5","","Moshkina, Evgeniya; Mikhashenok, Natalya; Kokh, Dieter; Pavlovskiy, Maxim; Cherepakhin, Alexander; Eremin, Evgeniy; Zolotov, Andrey; Molokeev, Maxim","Study of flux growth of Cr-containing borates and oxyborates under the conditions of low Cr2O3 solubility","CrystEngComm","2025","27","2","226","237","10.1039/D4CE00943F","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.16","2.44","","","","","","","has coordinates","298194","2025-03-04","19:46:39",""
"7249639","5.9","0.003","12.748","0.006","28.745","0.015","90","","95.113","0.019","90","","2153.4","1.9","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 F6 N6 O2 -","- C20 H16 F6 N6 O2 -","- C80 H64 F24 N24 O8 -","4","1","","Huang, Mengjun; Wang, Guoqiang; Li, Heyin; Zou, Zhenlei; Jia, Xingye; Karotsis, Georgios; Pan, Yi; Zhang, Weigang; Ma, Jing; Wang, Yi","EDA complex-mediated [3 + 2] cyclization for the synthesis of CF3-oxadiazoles","Green Chemistry","2025","27","2","413","419","10.1039/D4GC05267F","","","1.34139","GaKα","","0.1061","0.0641","","","0.1601","0.1915","","","","","","1.024","","","","has coordinates","298962","2025-04-05","03:28:31",""
"7249640","10.7282","0.0009","10.7734","0.0009","11.9845","0.0011","85.55","0.002","65.237","0.002","64.849","0.002","1130.01","0.17","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 F3 N5 O3 -","- C25 H18 F3 N5 O3 -","- C50 H36 F6 N10 O6 -","2","1","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID","CrystEngComm","2025","27","2","138","145","10.1039/D4CE00990H","","","0.71073","MoKα","","0.0718","0.0502","","","0.1207","0.1397","","","","","","1.071","","","","has coordinates","298191","2025-03-04","19:46:09",""
"7249641","8.012","0.0003","16.7621","0.0007","12.6282","0.0005","90","","91.0102","0.0003","90","","1695.68","0.12","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C76 H60 N12 O16 -","4","1","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID","CrystEngComm","2025","27","2","138","145","10.1039/D4CE00990H","","","0.71073","MoKα","","0.1065","0.0514","","","0.1286","0.1809","","","","","","1.076","","","","has coordinates,has disorder","298191","2025-03-04","19:46:09",""
"7249642","12.1866","0.0013","14.7266","0.0016","26.278","0.003","90","","99.145","0.003","90","","4656.1","0.9","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N3 O5 -","- C26 H23 N3 O5 -","- C208 H184 N24 O40 -","8","2","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID","CrystEngComm","2025","27","2","138","145","10.1039/D4CE00990H","","","0.71073","MoKα","","0.1347","0.0634","","","0.1572","0.1847","","","","","","0.976","","","","has coordinates","298191","2025-03-04","19:46:09",""
"7249643","8.56884","0.00006","8.56884","0.00006","30.61946","0.00018","90","","90","","120","","1947.03","0.02","169.98","0.1","170","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H32 Cu2 N8 O10 -","- C18 H32 Cu2 N8 O10 -","- C54 H96 Cu6 N24 O30 -","3","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","","1.54184","CuKα","","0.0336","0.0318","","","0.0746","0.0757","","","","","","1.055","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249644","8.61755","0.00019","8.61755","0.00019","30.5882","0.0006","90","","90","","120","","1967.22","0.07","270","1","270.15","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H32 Cu2 N8 O10 -","- C18 H32 Cu2 N8 O10 -","- C54 H96 Cu6 N24 O30 -","3","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","","1.54184","CuKα","","0.0347","0.0313","","","0.0821","0.0849","","","","","","1.046","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249645","12.0896","0.00008","20.35323","0.00015","13.73806","0.00009","90","","90","","90","","3380.42","0.04","100","1","100","1","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C19.41 H30.22 Cu2 N8 O8.59 -","- C19.406 H30.218 Cu2 N8 O8.594 -","- C77.624 H120.872 Cu8 N32 O34.376 -","4","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","x-ray","0.7","synchrotron","","0.0296","0.0296","","","0.0805","0.0805","","","","","","1.047","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249646","8.3611","0.001","8.3611","0.001","30.45","0.003","90","","90","","120","","1843.5","0.4","370","1","370","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H26 Cu2 N8 O7 -","- C18 H24 Cu2 N8 O7 -","- C54 H72 Cu6 N24 O21 -","3","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","","1.54184","CuKα","","0.1029","0.0752","","","0.1967","0.2266","","","","","","0.963","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249647","12.09436","0.00016","13.9509","0.0002","20.3839","0.0003","90","","90","","90","","3439.32","0.08","170","1","170","1","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C18 H28 Cu2 N8 O8 -","- C18 H28 Cu2 N8 O8 -","- C72 H112 Cu8 N32 O32 -","4","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","x-ray","1.54184","CuKα","","0.0299","0.0298","","","0.0816","0.0818","","","","","","1.042","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249648","13.3717","0.0009","13.3717","0.0009","36.41","0.002","90","","90","","120","","5638","0.6","150","1","150","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C25.5 H54 Cu2 N8 O13.5 -","- C25.5 H54 Cu2 N8 O13.5 -","- C153 H324 Cu12 N48 O81 -","6","1","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","x-ray","0.71073","MoKα","","0.1463","0.1068","","","0.1967","0.2223","","","","","","1.062","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249650","7.2425","0.0002","26.0431","0.0009","6.4409","0.0002","90","","90","","90","","1214.86","0.07","292.92","0.1","292.92","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H3 K N O3 -","- C5 H3 K N O3 -","- C40 H24 K8 N8 O24 -","8","1","","Simosono, Cintia A.; Flores, Leonã S.; Simões, Tatiana R. G.; do Pim, Walace D.; Julve, Miguel; Marinho, Maria Vanda","Oxamate-based potassium–organic assembly with the uncommon binodal (6,12)-coordinated alb topology","CrystEngComm","2025","27","2","176","183","10.1039/D4CE01066C","","x-ray","0.71073","MoKα","","0.0402","0.0339","","","0.0764","0.0793","","","","","","1.066","","","","has coordinates","298192","2025-03-04","19:46:18",""
"7249652","8.1644","0.001","14.9055","0.0016","15.8041","0.0018","90","","103.034","0.004","90","","1873.7","0.4","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Cu I3 N4 -","- C10 H18 Cu I3 N4 -","- C40 H72 Cu4 I12 N16 -","4","0.5","","Han, Jiali; Zhu, Shujun; Chen, Xinxin; Zhou, Haichao; Pan, Jianguo; Pan, Shangke","Optical properties of [MMim]2[CuI3] crystals with 0D single-core trigonal planar structures","CrystEngComm","2025","27","1","38","45","10.1039/D4CE00750F","","x-ray","0.71073","MoKα","","0.0406","0.0322","","","0.0705","0.0757","","","","","","1.028","","","","has coordinates","298174","2025-03-04","19:38:29",""
"7249653","8.7857","0.0005","18.8668","0.0011","20.7919","0.0013","113.758","0.002","95.709","0.002","102.086","0.002","3018.7","0.3","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H32 N6 O16 S3 Tb3 -","- C60 H32 N6 O16 S3 Tb3 -","- C120 H64 N12 O32 S6 Tb6 -","2","1","","Xu, Shi-Xian; Lu, Na; Wang, Li; Liu, Sui-Jun","Chain-based fluorescent TbIII metal–organic framework with good stability as a blue-shift and turn-on sensor toward H2PO4−","CrystEngComm","2025","27","3","415","420","10.1039/D4CE01073F","","","0.71073","MoKα","","0.0786","0.0562","","","0.1401","0.1535","","","","","","1.036","","","","has coordinates","298217","2025-03-04","19:51:35",""
"7249654","6.514","0.0001","32.543","0.0008","12.9337","0.0003","90","","92.843","0.002","90","","2738.38","0.1","100","0.1","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H6 N16 O16 -","- C22.006 H6 N16.006 O16.006 -","- C88.024 H24 N64.024 O64.024 -","4","1","","Baraboshkin, N. M.; Zelenov, V. P.; Fedyanin, I. V.; Samigullina, A. I.; Klenov, M. S.","Cocrystals of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides and 1,5-dioxides: step-by-step development of crystal engineering of energetic materials","CrystEngComm","2025","27","3","386","399","10.1039/D4CE01081G","","x-ray","1.54184","CuKα","","0.0962","0.0935","","","0.2444","0.2462","","","","","","1.058","","","","has coordinates,has disorder","298225","2025-03-04","19:54:32",""
"7249655","7.5638","0.0002","9.2989","0.0002","15.196","0.0004","93.97","0.001","92.746","0.001","100.653","0.001","1045.86","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H8 N14 O9 -","- C18 H8 N14 O9 -","- C36 H16 N28 O18 -","2","1","","Baraboshkin, N. M.; Zelenov, V. P.; Fedyanin, I. V.; Samigullina, A. I.; Klenov, M. S.","Cocrystals of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides and 1,5-dioxides: step-by-step development of crystal engineering of energetic materials","CrystEngComm","2025","27","3","386","399","10.1039/D4CE01081G","","","0.71073","MoKα","","0.0889","0.0481","","","0.1228","0.155","","","","","","1.03","","","","has coordinates,has disorder","298225","2025-03-04","19:54:33",""
"7249656","7.6589","0.0003","8.3363","0.0003","22.852","0.0013","96.08","0.004","94.163","0.004","97.24","0.003","1433.78","0.11","146.55","0.16","146.55","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 Cd2 N9 O8 -","- C31 H23 Cd2 N9 O8 -","- C62 H46 Cd4 N18 O16 -","2","1","","Zhao, Yan; Zhou, Xing; Liu, Zheng-Yu; Wang, Jia-Jun; Ding, Bo; Liu, Gui-Xi; Yang, En-Cui","Tailoring the coordination microenvironment of Zn(ii) in a light-responsive coordination polymer system for molecular sensing and photodegradation performance","CrystEngComm","2025","27","3","325","336","10.1039/D4CE00952E","","x-ray","0.71073","MoKα","","0.041","0.0323","","","0.0634","0.069","","","","","","1.031","","","","has coordinates","298219","2025-03-04","19:52:14",""
"7249657","28.303","0.004","11.5779","0.0017","18.807","0.003","90","","128.062","0.002","90","","4852.3","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H19 Cd N9 O5.5 -","- C24.5 H19 Cd N9 O5.5 -","- C196 H152 Cd8 N72 O44 -","8","1","","Zhao, Yan; Zhou, Xing; Liu, Zheng-Yu; Wang, Jia-Jun; Ding, Bo; Liu, Gui-Xi; Yang, En-Cui","Tailoring the coordination microenvironment of Zn(ii) in a light-responsive coordination polymer system for molecular sensing and photodegradation performance","CrystEngComm","2025","27","3","325","336","10.1039/D4CE00952E","","","0.71073","MoKα","","0.0407","0.0288","","","0.0638","0.0674","","","","","","1.031","","","","has coordinates","298219","2025-03-04","19:52:18",""
"7249658","12.7084","0.0018","14.097","0.002","14.426","0.002","82.747","0.003","83.256","0.003","75.061","0.002","2467.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H38.5 Cd2 Cl0.5 N18 O11 -","- C49 H38.5 Cd2 Cl0.5 N18 O11 -","- C98 H77 Cd4 Cl N36 O22 -","2","1","","Zhao, Yan; Zhou, Xing; Liu, Zheng-Yu; Wang, Jia-Jun; Ding, Bo; Liu, Gui-Xi; Yang, En-Cui","Tailoring the coordination microenvironment of Zn(ii) in a light-responsive coordination polymer system for molecular sensing and photodegradation performance","CrystEngComm","2025","27","3","325","336","10.1039/D4CE00952E","","","0.71073","MoKα","","0.0478","0.0397","","","0.109","0.1122","","","","","","1.067","","","","has coordinates","298219","2025-03-04","19:52:34",""
"7249659","15.9636","0.0003","6.6463","0.0001","11.5269","0.0002","90","","98.41","0.002","90","","1209.84","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","1","","Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao","Chiral-driven formation of hybrid cyanurates with large birefringence","CrystEngComm","2025","27","1","30","37","10.1039/D4CE01123F","","x-ray","1.54184","CuKα","","0.0437","0.038","","","0.1038","0.1089","","","","","","1.066","","","","has coordinates","298175","2025-03-04","19:38:47",""
"7249660","7.8402","0.0001","12.4111","0.0001","12.473","0.0001","90","","96.746","0.001","90","","1205.29","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","S-a-MBACY","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","2","","Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao","Chiral-driven formation of hybrid cyanurates with large birefringence","CrystEngComm","2025","27","1","30","37","10.1039/D4CE01123F","","x-ray","1.54184","CuKα","","0.0336","0.0329","","","0.0907","0.0915","","","","","","1.056","","","","has coordinates","298175","2025-03-04","19:38:49",""
"7249661","7.8401","0.0001","12.4094","0.0001","12.4685","0.0001","90","","96.71","0.001","90","","1204.76","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","2","","Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao","Chiral-driven formation of hybrid cyanurates with large birefringence","CrystEngComm","2025","27","1","30","37","10.1039/D4CE01123F","","x-ray","1.54184","CuKα","","0.0416","0.0388","","","0.1042","0.107","","","","","","1.049","","","","has coordinates","298175","2025-03-04","19:38:49",""
"7249662","15.5314","0.0009","4.1737","0.0002","14.2425","0.0009","90","","90.82","0.006","90","","923.15","0.09","304.23","0.1","304.23","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Yuan, Yong; Liu, Xincong; Zhang, Feng; Bai, Chunyan; Tao, Yuyan; Bao, Xiazhen; Ji, Dongsheng; Huo, Congde","Electrochemical dehydrogenative annulation for the synthesis of 4-oxo-oxazolines","Green Chemistry","2025","27","1","96","101","10.1039/D4GC05119J","","x-ray","0.71073","MoKα","","0.0707","0.0455","","","0.1235","0.1446","","","","","","1.021","","","","has coordinates","298955","2025-04-05","03:26:48",""
"7249663","9.6534","0.0018","9.6534","0.0018","16.438","0.005","90","","90","","120","","1326.6","0.5","120.15","","298.15","","","","","","","","","4","P 63 m c","P 6c -2c","186","Phpm","TAC-HMTA","","- C18 H30 N14 S6 -","- C18 H30 N14 S6 -","- C36 H60 N28 S12 -","2","0.166667","","Yan, Wenjin; Wang, Tianwei; Hu, Yingxin; Chen, Longming; Wang, Peng; Pang, Chaoran; Lu, Rongwen; Zhang, Shufen","Two stacking types of three-dimensional cocrystal structures based on multiple hydrogen bonds","CrystEngComm","2025","27","2","269","276","10.1039/D4CE01071J","","","0.71073","MoKα","","0.0598","0.0455","","","0.1058","0.114","","","","","","1.057","","","","has coordinates","298198","2025-03-04","19:47:29",""
"7249664","15.4259","0.0002","21.5068","0.0003","15.6995","0.0002","90","","112.973","0.001","90","","4795.4","0.12","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C83 H101 Cl6 N O28 Pb2 S8 -","- C83 H101 Cl6 N O28 Pb2 S8 -","- C166 H202 Cl12 N2 O56 Pb4 S16 -","2","0.5","","Kim, Seulgi; Ju, Kyunghye; Kim, Taehun; Park, In-Hyeok","An unsymmetrically sandwiched bis(O3S2-macrocycle) lead(ii) complex via an endo/exo-coordination mode","CrystEngComm","2025","27","11","1529","1533","10.1039/D4CE01045K","","","0.71073","MoKα","","0.0553","0.0369","","","0.0745","0.0807","","","","","","1.031","","","","has coordinates,has disorder","298861","2025-04-05","02:41:20",""
"7249665","6.1429","0.00003","8.10668","0.00005","17.96048","0.00008","90","","93.279","0.0005","90","","892.941","0.008","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 Br N4 O3 -","- C8 H3 Br N4 O3 -","- C32 H12 Br4 N16 O12 -","4","1","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.022","0.022","","","0.0524","0.0524","","","","","","1.18","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249666","8.6295","0.0002","6.38437","0.00016","16.6319","0.0004","90","","91.796","0.002","90","","915.87","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 Br N4 O3 -","- C8 H3 Br N4 O3 -","- C32 H12 Br4 N16 O12 -","4","1","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.0259","0.0254","","","0.0697","0.0701","","","","","","1.112","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249667","8.14289","0.0001","5.60083","0.00007","9.26194","0.00011","90","","105.499","0.0013","90","","407.048","0.009","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H3 F N4 O3 -","- C8 H3 F N4 O3 -","- C16 H6 F2 N8 O6 -","2","1","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.0283","0.0282","","","0.0713","0.0714","","","","","","1.082","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249668","8.2076","0.0003","6.3054","0.0002","8.5808","0.0003","90","","108.588","0.003","90","","420.91","0.03","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C9 H6 N4 O2 -","- C9 H6 N4 O2 -","- C18 H12 N8 O4 -","2","0.5","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.04","0.0382","","","0.1027","0.1041","","","","","","1.097","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249669","5.89689","0.00013","8.54466","0.00018","9.10721","0.00012","77.3481","0.0015","87.0582","0.0015","80.0249","0.0018","440.931","0.015","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6 N4 O3 -","- C9 H6 N4 O3 -","- C18 H12 N8 O6 -","2","1","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.037","0.0359","","","0.0994","0.1004","","","","","","1.062","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249670","11.5164","0.0004","16.3636","0.0006","16.3579","0.0006","75.334","0.002","83.411","0.001","74.951","0.002","2875.96","0.18","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H59 B2 Co Fe2 N25 O9 -","- C43 H59 B2 Co Fe2 N25 O9 -","- C86 H118 B4 Co2 Fe4 N50 O18 -","2","1","","Li, Qiuyu; Cao, Qiuyue; Xi, Jing; Zhang, Ziyi; Yao, Binling; Shao, Dong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Structural regulation of three Fe–Co cyanometallate complexes: reactant ratio issue","CrystEngComm","2025","27","3","407","414","10.1039/D4CE01049C","","","0.71073","MoKα","","0.0828","0.0629","","","0.1696","0.1872","","","","","","1.06","","","","has coordinates","298220","2025-03-04","19:53:00",""
"7249671","10.9427","0.0011","13.2533","0.0014","14.3559","0.0015","69.317","0.003","75.823","0.003","69.273","0.003","1804.5","0.3","101.42","","101.42","","","","","","","","","8","P -1","-P 1","2","","","","- C58 H56 B2 Cl2 Co2 Fe2 N34 O10 -","- C58 H56 B2 Cl2 Co2 Fe2 N34 O10 -","- C58 H56 B2 Cl2 Co2 Fe2 N34 O10 -","1","0.5","","Li, Qiuyu; Cao, Qiuyue; Xi, Jing; Zhang, Ziyi; Yao, Binling; Shao, Dong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Structural regulation of three Fe–Co cyanometallate complexes: reactant ratio issue","CrystEngComm","2025","27","3","407","414","10.1039/D4CE01049C","","x-ray","0.71073","MoKα","","0.0396","0.0302","","","0.0772","0.0819","","","","","","1.047","","","","has coordinates","298220","2025-03-04","19:53:01",""
"7249672","12.1471","0.0008","26.0291","0.0014","12.147","0.0008","90","","106.52","","90","","3682.1","0.4","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 B2 Co F4 Fe N16 O2 -","- C29 H31 B2 Co F4 Fe N16 O2 -","- C116 H124 B8 Co4 F16 Fe4 N64 O8 -","4","1","","Li, Qiuyu; Cao, Qiuyue; Xi, Jing; Zhang, Ziyi; Yao, Binling; Shao, Dong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Structural regulation of three Fe–Co cyanometallate complexes: reactant ratio issue","CrystEngComm","2025","27","3","407","414","10.1039/D4CE01049C","","x-ray","1.34139","GaKα","","0.1083","0.0826","","","0.2033","0.2145","","","","","","1.044","","","","has coordinates","298220","2025-03-04","19:53:02",""
"7249673","7.6704","0.0002","8.0941","0.0003","8.4392","0.0003","90.866","0.001","109.238","0.001","92.487","0.001","493.98","0.03","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H3 Cs N12 -","- C4 H3 Cs N12 -","- C8 H6 Cs2 N24 -","2","1","","Zhang, Guofeng; Hao, Xue; Zou, Yongbin; Liu, Shichang; Wei, Junjie; Dong, Zhen; Ye, Zhiwen","Several energetic MOFs based on the N-rich energetic materials and alkali metals: towards high detonation performances and good stabilities","CrystEngComm","2025","27","2","277","283","10.1039/D4CE00981A","","","0.71073","MoKα","","0.0183","0.0174","","","0.0434","0.0438","","","","","","1.052","","","","has coordinates","298195","2025-03-04","19:46:49",""
"7249674","12.5111","0.0004","6.5119","0.0002","26.0556","0.0007","90","","90","","90","","2122.78","0.11","223","","223","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H7 N12 Na O2 -","- C4 H7 N12 Na O2 -","- C32 H56 N96 Na8 O16 -","8","1","","Zhang, Guofeng; Hao, Xue; Zou, Yongbin; Liu, Shichang; Wei, Junjie; Dong, Zhen; Ye, Zhiwen","Several energetic MOFs based on the N-rich energetic materials and alkali metals: towards high detonation performances and good stabilities","CrystEngComm","2025","27","2","277","283","10.1039/D4CE00981A","","","1.54178","CuKα","","0.0413","0.0338","","","0.0879","0.0926","","","","","","1.07","","","","has coordinates","298195","2025-03-04","19:46:50",""
"7249675","6.7583","0.0002","7.8975","0.0002","9.8534","0.0003","85.648","0.002","73.651","0.002","87.923","0.002","503.13","0.03","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H5 K N12 O -","- C4 H5 K N12 O -","- C8 H10 K2 N24 O2 -","2","1","","Zhang, Guofeng; Hao, Xue; Zou, Yongbin; Liu, Shichang; Wei, Junjie; Dong, Zhen; Ye, Zhiwen","Several energetic MOFs based on the N-rich energetic materials and alkali metals: towards high detonation performances and good stabilities","CrystEngComm","2025","27","2","277","283","10.1039/D4CE00981A","","","1.54178","CuKα","","0.048","0.0391","","","0.1035","0.1105","","","","","","1.056","","","","has coordinates","298195","2025-03-04","19:46:50",""
"7249676","10.8914","0.0015","13.7161","0.0017","16.245","0.002","74.024","0.006","86.691","0.006","72.279","0.005","2221.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H60 Cl24 Nd4 O54 -","- C48 Cl24 Nd4 O54 -","- C48 Cl24 Nd4 O54 -","1","0.5","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0483","0.0464","","","0.1016","0.1027","","","","","","1.298","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249677","8.7595","0.0006","6.7789","0.0005","11.8297","0.0009","90","","95.615","0.003","90","","699.07","0.09","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H10 Cl4 O8 Y -","- C8 H10 Cl4 O8 Y -","- C16 H20 Cl8 O16 Y2 -","2","0.5","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0582","0.0486","","","0.1154","0.1208","","","","","","1.071","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249678","8.7604","0.0005","11.5722","0.0006","13.8453","0.0007","90.302","0.002","97.3","0.002","102.131","0.002","1360.39","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cl8 K O15 Tb -","- C16 H14 Cl8 K O15 Tb -","- C32 H28 Cl16 K2 O30 Tb2 -","2","1","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0137","0.0133","","","0.0312","0.0313","","","","","","1.077","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249679","8.1777","0.0011","12.7369","0.0019","13.969","0.002","85.23","0.006","77.92","0.006","87.757","0.006","1417.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cl8 K La O15 -","- C16 H14 Cl8 K La O15 -","- C32 H28 Cl16 K2 La2 O30 -","2","1","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0327","0.0298","","","0.0731","0.0739","","","","","","1.074","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249680","11.564","0.0006","18.5537","0.0009","12.165","0.0006","90","","90","","90","","2610.1","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H11 Cl8 O13 Y -","- C16 H11 Cl8 O13 Y -","- C64 H44 Cl32 O52 Y4 -","4","1","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0338","0.0265","","","0.0506","0.0529","","","","","","0.998","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249681","8.2758","0.0003","13.9934","0.0007","14.3376","0.0006","85.9932","0.0014","77.9272","0.0012","75.6109","0.0013","1572.45","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Cl8 K La O19 -","- C16 H22 Cl8 K La O19 -","- C32 H44 Cl16 K2 La2 O38 -","2","1","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0471","0.0415","","","0.1196","0.1232","","","","","","1.057","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249682","15.8758","0.0003","13.8581","0.0003","27.1887","0.0006","90","","106.2","0.002","90","","5744.2","0.2","138.15","","138.15","","","","","","","","","4","I 1 2 1","I 2y","5","","L-leucinium D-di-p-toluoyltartrate methanol solvate hydrate","","- C26.36 H33.93 N O11.11 -","- C26.357 H33.928 N O11.107 -","- C210.856 H271.424 N8 O88.856 -","8","2","","Shi, Linlin; Guo, Zhiqiang; Luo, Xiaofang; Hou, Lingli; Wu, Hongchang; De, Ruiyu; Huang, Xin; Wang, Ting; Hao, Hongxun; Wang, Na; Zhou, Lina","Chiral resolution of dl-leucine via salifying tartaric acid derivatives","CrystEngComm","2025","27","2","155","163","10.1039/D4CE01043D","","x-ray","1.54184","CuKα","","0.0659","0.0618","","","0.1778","0.1832","","","","","","1.048","","","","has coordinates,has disorder","298193","2025-03-04","19:46:32",""
"7249683","27.9114","0.0002","12.8536","0.0001","15.9008","0.0001","90","","106.049","0.001","90","","5482.27","0.07","128.15","","128.15","","","","","","","","","4","C 1 2 1","C 2y","5","","D-leucinium D-di-p-toluoyltartrate semihydrate","","- C52 H64 N2 O21 -","- C52 H64 N2 O21 -","- C208 H256 N8 O84 -","4","1","","Shi, Linlin; Guo, Zhiqiang; Luo, Xiaofang; Hou, Lingli; Wu, Hongchang; De, Ruiyu; Huang, Xin; Wang, Ting; Hao, Hongxun; Wang, Na; Zhou, Lina","Chiral resolution of dl-leucine via salifying tartaric acid derivatives","CrystEngComm","2025","27","2","155","163","10.1039/D4CE01043D","","x-ray","1.54184","CuKα","","0.0387","0.0385","","","0.1079","0.1081","","","","","","1.05","","","","has coordinates","298193","2025-03-04","19:46:32",""
"7249684","20.3798","0.0006","6.49","0.0002","25.5179","0.0007","90","","107.008","0.002","90","","3227.51","0.17","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H34 N20 O14 S -","- C16 H34 N20 O14 S -","- C64 H136 N80 O56 S4 -","4","0.5","","Wang, Jiapeng; Wang, Jianhua; Liu, Yucun; Yuan, Junming; Yu, Yanwu; Zhang, Yankang; Yan, Xuejian","A novel bis-(triazolyl)-furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity","CrystEngComm","2025","27","3","311","324","10.1039/D4CE01116C","","","1.54178","CuKα","","0.0476","0.0375","","","0.0988","0.1052","","","","","","1.063","","","","has coordinates","298226","2025-03-04","19:54:54",""
"7249685","7.2046","0.0002","12.8063","0.0003","18.89","0.0005","90","","100.014","0.002","90","","1716.32","0.08","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N13 O7 -","- C10 H13 N13 O7 -","- C40 H52 N52 O28 -","4","1","","Wang, Jiapeng; Wang, Jianhua; Liu, Yucun; Yuan, Junming; Yu, Yanwu; Zhang, Yankang; Yan, Xuejian","A novel bis-(triazolyl)-furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity","CrystEngComm","2025","27","3","311","324","10.1039/D4CE01116C","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","298226","2025-03-04","19:54:55",""
"7249686","10.205","0.002","10.512","0.002","11.184","0.003","90.85","0.004","94.688","0.004","96.027","0.004","1188.8","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H28 N12 O3 -","- C18 H28 N12 O3 -","- C36 H56 N24 O6 -","2","1","","Wang, Jiapeng; Wang, Jianhua; Liu, Yucun; Yuan, Junming; Yu, Yanwu; Zhang, Yankang; Yan, Xuejian","A novel bis-(triazolyl)-furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity","CrystEngComm","2025","27","3","311","324","10.1039/D4CE01116C","","","0.71073","MoKα","","0.0917","0.0595","","","0.1679","0.1821","","","","","","1.061","","","","has coordinates,has disorder","298226","2025-03-04","19:54:55",""
"7249687","8.5511","0.0003","37.3176","0.0014","16.5685","0.0005","90","","94.354","0.003","90","","5271.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H34 Cl2 F18 N6 O7 -","- C52 H34 Cl2 F18 N6 O7 -","- C208 H136 Cl8 F72 N24 O28 -","4","1","","Fang, Zong-Bin; Xiao, Yue-Feng; Sun, Chong; Chen, Xinyao; Zhou, Lingyu; Chen, Li; Lu, Qiaomei; Xiao, Wang-Dong; Wu, Shu-Ting","Solubility, crystallization process optimization, and thermal properties of afoxolaner and the single-crystal structure of its hydrate","CrystEngComm","2025","27","6","795","800","10.1039/D4CE00975D","","","1.3405","GaKα","","0.1876","0.1374","","","0.3951","0.4182","","","","","","1.556","","","","has coordinates,has disorder","298201","2025-03-04","19:48:17",""
"7249688","17.3879","0.0003","7.727","0.0001","27.0872","0.0005","90","","94.9551","0.0016","90","","3625.73","0.1","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C50 H34 N4 O2 -","- C50 H34 N4 O2 -","- C200 H136 N16 O8 -","4","0.5","","Omasa, Koichiro; Yoshikawa, Isao; Houjou, Hirohiko","Mechanical-force-induced thermochromic-to-photochromic conversion of a coupled Schiff base hinged via a biphenyl moiety","CrystEngComm","2025","27","4","468","473","10.1039/D4CE01027B","","","1.54184","CuKα","","0.0396","0.0379","","","0.0998","0.1011","","","","","","1.042","","","","has coordinates","298188","2025-03-04","19:44:07",""
"7249689","8.6165","0.0001","16.5014","0.0002","13.323","0.0002","90","","107.227","0.0017","90","","1809.34","0.04","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","","Omasa, Koichiro; Yoshikawa, Isao; Houjou, Hirohiko","Mechanical-force-induced thermochromic-to-photochromic conversion of a coupled Schiff base hinged via a biphenyl moiety","CrystEngComm","2025","27","4","468","473","10.1039/D4CE01027B","","","1.54184","CuKα","","0.0475","0.0463","","","0.1248","0.1261","","","","","","1.082","","","","has coordinates","298188","2025-03-04","19:44:07",""
"7249690","24.309","0.003","17.216","0.002","17.183","0.0019","90","","134.903","0.004","90","","5093.5","1.1","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C84 H60 O38 Th6 -","- C84 H60 O38 Th6 -","- C168 H120 O76 Th12 -","2","0.25","","McCusker, Thomas L.; Vanagas, Nicole A.; Szymanowski, Jennifer E. S.; Surbella, Robert G.; Bertke, Jeffery A.; Arteaga, Ana; Knope, Karah E.","Elucidating trends in synthesis and structural periodicity in a series of tetravalent actinide–oxo hexamers","CrystEngComm","2025","27","4","507","515","10.1039/D4CE01042F","","","0.71073","MoKα","","0.0368","0.0352","","","0.0988","0.0996","","","","","","1.241","","","","has coordinates,has disorder","298187","2025-03-04","19:43:52",""
"7249691","15.805","0.007","24.801","0.017","23.813","0.012","90","","95.628","0.019","90","","9289","9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H60 O36 Pu6 -","- C84 H60 O36 Pu6 -","- C336 H240 O144 Pu24 -","4","1","","McCusker, Thomas L.; Vanagas, Nicole A.; Szymanowski, Jennifer E. S.; Surbella, Robert G.; Bertke, Jeffery A.; Arteaga, Ana; Knope, Karah E.","Elucidating trends in synthesis and structural periodicity in a series of tetravalent actinide–oxo hexamers","CrystEngComm","2025","27","4","507","515","10.1039/D4CE01042F","","","0.71073","MoKα","","0.0947","0.0554","","","0.1248","0.1426","","","","","","1.074","","","","has coordinates,has disorder","298187","2025-03-04","19:43:52",""
"7249692","15.8168","0.0009","24.7055","0.0012","23.9238","0.0013","90","","95.234","0.002","90","","9309.5","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C87.28 H69.83 O40 U6 -","- C87.276 H69.828 O40 U6 -","- C349.104 H279.312 O160 U24 -","4","1","","McCusker, Thomas L.; Vanagas, Nicole A.; Szymanowski, Jennifer E. S.; Surbella, Robert G.; Bertke, Jeffery A.; Arteaga, Ana; Knope, Karah E.","Elucidating trends in synthesis and structural periodicity in a series of tetravalent actinide–oxo hexamers","CrystEngComm","2025","27","4","507","515","10.1039/D4CE01042F","","","0.71073","MoKα","","0.0542","0.0358","","","0.06","0.0643","","","","","","1.11","","","","has coordinates,has disorder","298187","2025-03-04","19:43:52",""
"7249693","9.6921","0.0008","15.7727","0.0014","12.6377","0.0012","90","","121.623","0.006","90","","1645.1","0.3","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H42 N8 O3 -","- C31 H42 N8 O3 -","- C62 H84 N16 O6 -","2","1","","Martins, Inês C. B.; Belenguer, Ana M.; Lampronti, Giulio I.; Motloch, Petr","Three-phase reversible mechanochemical interconversion of hydrogen-bonded melamine : barbiturate co-crystals: from rosette to linear tape polymorphs","CrystEngComm","2025","27","3","307","310","10.1039/D4CE01230E","powder diffraction","XCelerator","1.54175","CuKα","","","","","","","","","1.6006","2.274","","","","","","","has coordinates","298218","2025-03-04","19:51:44",""
"7249694","32.4449","0.0014","8.4715","0.0003","17.0615","0.0007","90","","90","","90","","4689.5","0.3","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H23 N O3 S -","- C29 H23 N O3 S -","- C232 H184 N8 O24 S8 -","8","1","","Mutra, Mohana Reddy; Chandana, T. L.; Wang, Jeh-Jeng","Atom-economical and workup-free multiparticipation of p-TsOH in yne-ynamide skeletal reshuffle: access to regiospecific, chemospecific, and stereospecific (E)-alkenyl sulfonate/ketone-tethered indoles","Green Chemistry","2025","27","4","1062","1072","10.1039/D4GC05876C","","","0.71073","MoKα","","0.0551","0.0425","","","0.118","0.1296","","","","","","1.039","","","","has coordinates","298961","2025-04-05","03:28:24",""
"7249695","10.0336","0.0002","11.9429","0.0002","13.2152","0.0002","87.388","0.001","78.345","0.001","75.543","0.001","1501.8","0.05","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H29 N O5 S2 -","- C36 H29 N O5 S2 -","- C72 H58 N2 O10 S4 -","2","1","","Mutra, Mohana Reddy; Chandana, T. L.; Wang, Jeh-Jeng","Atom-economical and workup-free multiparticipation of p-TsOH in yne-ynamide skeletal reshuffle: access to regiospecific, chemospecific, and stereospecific (E)-alkenyl sulfonate/ketone-tethered indoles","Green Chemistry","2025","27","4","1062","1072","10.1039/D4GC05876C","","x-ray","0.71073","MoKα","","0.0439","0.0369","","","0.0967","0.101","","","","","","1.095","","","","has coordinates","298961","2025-04-05","03:28:24",""
"7249699","13.1546","0.0003","12.9738","0.0003","21.2555","0.0005","90","","101.043","0.002","90","","3560.4","0.14","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 Cu I N2 P2 -","- C39 Cu I N2 P2 -","- C156 Cu4 I4 N8 P8 -","4","1","","Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming","Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission","CrystEngComm","2025","27","5","661","667","10.1039/D4CE00898G","","","0.71073","MoKα","","0.06","0.0421","","","0.0995","0.1068","","","","","","1.2909","","","","has coordinates","298186","2025-03-04","19:43:00",""
"7249700","13.6749","0.0005","12.6744","0.0005","21.4637","0.0008","90","","102.349","0.002","90","","3634","0.2","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cu I N2 P2 -","- C40 H36 Cu I N2 P2 -","- C160 H144 Cu4 I4 N8 P8 -","4","1","","Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming","Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission","CrystEngComm","2025","27","5","661","667","10.1039/D4CE00898G","","","0.71073","MoKα","","0.0851","0.0426","","","0.0817","0.0961","","","","","","1.002","","","","has coordinates","298186","2025-03-04","19:43:00",""
"7249701","13.4509","0.0006","12.8405","0.0005","21.9611","0.0009","90","","103.322","0.002","90","","3691","0.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Cu I N2 P2 -","- C40 H35 Cu I N2 P2 -","- C160 H140 Cu4 I4 N8 P8 -","4","1","","Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming","Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission","CrystEngComm","2025","27","5","661","667","10.1039/D4CE00898G","","","0.71073","MoKα","","0.0448","0.0333","","","0.0793","0.0845","","","","","","1.036","","","","has coordinates","298186","2025-03-04","19:43:00",""
"7249702","13.8302","0.0002","12.6013","0.0002","22.4188","0.0003","90","","105.428","0.001","90","","3766.32","0.1","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H38 Cu I N2 P2 -","- C41 H38 Cu I N2 P2 -","- C164 H152 Cu4 I4 N8 P8 -","4","1","","Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming","Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission","CrystEngComm","2025","27","5","661","667","10.1039/D4CE00898G","","","0.71073","MoKα","","0.0371","0.0278","","","0.0672","0.0721","","","","","","1.021","","","","has coordinates","298186","2025-03-04","19:43:00",""
"7249703","13.6216","0.0006","17.3077","0.0007","18.5961","0.0008","81.85","0.002","77.726","0.002","73.94","0.002","4100.7","0.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H100 N4 O28 S4 -","- C78 H100 N4 O28 S4 -","- C156 H200 N8 O56 S8 -","2","1","","Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei","Tetraphenylethylene-based blue light-emitting organic salt crystals","CrystEngComm","2025","27","5","625","633","10.1039/D4CE01094A","","x-ray","1.54178","CuKα","","0.0802","0.0672","","","0.2231","0.2354","","","","","","1.023","","","","has coordinates","298184","2025-03-04","19:42:38",""
"7249704","14.5199","0.0005","18.0137","0.0006","20.551","0.0007","104.206","0.002","98.769","0.002","97.896","0.002","5063.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H68 N4 O12 S4 -","- C79 H68 N4 O12 S4 -","- C158 H136 N8 O24 S8 -","2","1","","Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei","Tetraphenylethylene-based blue light-emitting organic salt crystals","CrystEngComm","2025","27","5","625","633","10.1039/D4CE01094A","","","1.54178","CuKα","","0.1182","0.0988","","","0.3047","0.3251","","","","","","1.119","","","","has coordinates","298184","2025-03-04","19:42:38",""
"7249705","12.6165","0.0005","19.6272","0.0008","21.927","0.001","82.317","0.003","78.76","0.002","86.655","0.002","5274.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C222 H198 N12 O36 S12 -","- C222 H198 N12 O36 S12 -","- C222 H198 N12 O36 S12 -","1","0.5","","Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei","Tetraphenylethylene-based blue light-emitting organic salt crystals","CrystEngComm","2025","27","5","625","633","10.1039/D4CE01094A","","","1.54178","CuKα","","0.2149","0.1727","","","0.4183","0.4484","","","","","","0.913","","","","has coordinates","298184","2025-03-04","19:42:38",""
"7249706","13.2402","0.0004","39.0334","0.0013","19.5745","0.0006","90","","106.403","0.003","90","","9704.6","0.5","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H80 N4 O12 S4 -","- C88 H80 N4 O12 S4 -","- C352 H320 N16 O48 S16 -","4","1","","Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei","Tetraphenylethylene-based blue light-emitting organic salt crystals","CrystEngComm","2025","27","5","625","633","10.1039/D4CE01094A","","x-ray","1.54184","CuKα","","0.247","0.2048","","","0.4046","0.424","","","","","","1.064","","","","has coordinates","298184","2025-03-04","19:42:38",""
"7249707","12.2627","0.0005","8.4254","0.0004","16.0986","0.0006","90","","101.59","0.001","90","","1629.36","0.12","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Lu, Jia-Min; Mao, Yihui; Guo, Qihang; Zhong, Chengcheng; Gao, Xian-Ge; Fang, Qun; Lu, Zhan","Metal-free stereoselective intramolecular oxyamination of alkynes using a robotic and rapid photocatalytic synthesis and screening system","Green Chemistry","2025","27","3","560","565","10.1039/D4GC05100A","","","0.71073","MoKα","","0.0594","0.0456","","","0.0951","0.1046","","","","","","1.092","","","","has coordinates","298967","2025-04-05","03:29:38",""
"7249716","14.9219","0.0019","8.4923","0.0007","13.0852","0.0017","90","","118.145","0.017","90","","1462.1","0.4","298","","298","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H8 Fe N4 O10 -","- C12 H8 Fe N4 O10 -","- C48 H32 Fe4 N16 O40 -","4","0.5","","Liu, Jingwei; Cheng, Xiaolong; Dang, Shifa; Kong, Weile; Zheng, Mengxian; Zhang, Lei; Wu, Shuangyan; Liu, Ning; Cao, Jinchao","Exploration of a one-dimensional iron-based coordination polymer for enhanced lithium storage capabilities","CrystEngComm","2025","27","5","687","694","10.1039/D4CE01082E","","","0.71073","MoKα","","0.0707","0.0465","","","0.1151","0.1241","","","","","","1.025","","","","has coordinates","298185","2025-03-04","19:42:46",""
"7249717","12.247","0.001","3.044","0.0002","5.8136","0.0005","90","","103.866","0.004","90","","210.41","0.03","273","2","273","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ga4 O6 Te0 -","- Ga4 O6 -","- Ga8 O12 -","2","0.25","","Song, Yufei; Guo, Xiaojie; Mu, Wenxiang; Tao, Xutang; Gao, Zeliang","Top-seeded solution growth and characterization of β-Ga2O3","CrystEngComm","2025","27","6","814","819","10.1039/D4CE00678J","","","0.71073","MoKα","","0.0282","0.0221","","","0.0513","0.0542","","","","","","1.042","","","","has coordinates","298202","2025-03-04","19:48:26",""
"7249718","13.234","0.007","13.892","0.007","16.543","0.009","109.362","0.007","96.339","0.007","102.534","0.007","2746","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H39 Cl9 N6 O3 -","- C48 H39 Cl9 N6 O3 -","- C96 H78 Cl18 N12 O6 -","2","1","","Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun","Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes","CrystEngComm","2025","27","4","474","477","10.1039/D4CE01150C","","","0.71073","MoKα","","0.2085","0.0918","","","0.2449","0.3105","","","","","","0.984","","","","has coordinates","298189","2025-03-04","19:44:18",""
"7249719","9.02","0.02","9.39","0.02","10.71","0.03","84.17","0.03","67.13","0.03","66.09","0.03","762","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Br2 N2 O -","- C16 H14 Br2 N2 O -","- C32 H28 Br4 N4 O2 -","2","1","","Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun","Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes","CrystEngComm","2025","27","4","474","477","10.1039/D4CE01150C","","","0.71073","MoKα","","0.1132","0.0444","","","0.0802","0.0999","","","","","","0.879","","","","has coordinates","298189","2025-03-04","19:44:18",""
"7249720","33.696","0.007","10.737","0.002","17.724","0.004","90","","115.638","0.003","90","","5781","2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 Cl3 N4 O2 -","- C31 H25 Cl3 N4 O2 -","- C248 H200 Cl24 N32 O16 -","8","1","","Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun","Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes","CrystEngComm","2025","27","4","474","477","10.1039/D4CE01150C","","","0.71073","MoKα","","0.1518","0.0592","","","0.1321","0.1697","","","","","","0.998","","","","has coordinates","298189","2025-03-04","19:44:18",""
"7249721","12.106","0.006","13.118","0.006","13.961","0.007","76.807","0.006","75.289","0.006","84.733","0.007","2086.5","1.8","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 Cl2 N6 O3 -","- C46 H38 Cl2 N6 O3 -","- C92 H76 Cl4 N12 O6 -","2","1","","Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun","Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes","CrystEngComm","2025","27","4","474","477","10.1039/D4CE01150C","","","0.71073","MoKα","","0.2213","0.127","","","0.3448","0.4085","","","","","","1.176","","","","has coordinates","298189","2025-03-04","19:44:18",""
"7249722","21.7201","0.0011","21.7201","0.0011","4.8629","0.0003","90","","90","","120","","1986.78","0.19","93","","93","","","","","","","","","4","P 32","P 32","145","","","","- C8 H12 Cl N -","- C8 H12 Cl N -","- C72 H108 Cl9 N9 -","9","3","","Tashiro, Shohei","Helical ammonium halide framework constituting polar conglomerate crystals of 2-ethylanilinium chloride","CrystEngComm","2025","27","6","729","735","10.1039/D4CE01084A","","x-ray","1.54184","CuKα","","0.0704","0.0526","","","0.1191","0.131","","","","","","0.979","","","","has coordinates","298203","2025-03-04","19:48:34",""
"7249723","13.768","0.0004","8.245","0.0002","13.9478","0.0004","90","","98.53","0.002","90","","1565.8","0.07","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","PropranololHCI","","","- C16 H22 Cl N O2 -","- C16 H22 Cl N O2 -","- C64 H88 Cl4 N4 O8 -","4","1","","Szeleszczuk, Łukasz; Bethanis, Kostas; Christoforides, Elias; Pisklak, Dariusz Maciej","Combining X-ray and NMR crystallography to explore the structural disorder in racemic propranolol hydrochloride","CrystEngComm","2025","27","3","433","446","10.1039/D4CE01105H","","","1.54178","CuKα","","0.0408","0.035","","","0.0835","0.0871","","","","","","1.061","","","","has coordinates,has disorder","298223","2025-03-04","19:53:50",""
"7249724","17.442","0.0003","11.311","0.0002","21.184","0.0004","90","","101.197","0.002","90","","4099.76","0.13","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C21 H20 N2 O6 S -","- C21 H20 N2 O6 S -","- C168 H160 N16 O48 S8 -","8","1","","Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming","Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions","Green Chemistry","2025","27","5","1499","1509","10.1039/D4GC05637J","","x-ray","1.54184","CuKα","","0.0525","0.0461","","","0.1262","0.1322","","","","","","1.059","","","","has coordinates","298959","2025-04-05","03:27:59",""
"7249729","21.4337","0.0018","10.5337","0.0009","12.9683","0.0012","90","","125.723","0.004","90","","2377","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","FluD-MSA(1:1)","","","- C8 H9 F3 N2 O5 S -","- C8 H9 F3 N2 O5 S -","- C64 H72 F24 N16 O40 S8 -","8","1","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0577","0.0359","","","0.0772","0.087","","","","","","1.03","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249730","7.4154","0.0004","7.5301","0.0004","13.6961","0.0007","90","","100.749","0.002","90","","751.35","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Flu.D-BSA(1:1)","","","- C13 H11 F3 N2 O5 S -","- C13 H11 F3 N2 O5 S -","- C26 H22 F6 N4 O10 S2 -","2","1","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0294","0.0278","","","0.0692","0.0701","","","","","","1.057","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249731","10.6002","0.0007","10.6466","0.0007","20.3303","0.0019","90","","90.12","","90","","2294.4","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","FluD-MSA(2:2)","","","- C8 H9 F3 N2 O5 S -","- C8 H9 F3 N2 O5 S -","- C64 H72 F24 N16 O40 S8 -","8","2","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0316","0.0314","","","0.0807","0.0808","","","","","","1.164","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249732","9.8176","0.0006","7.4895","0.0004","17.8098","0.001","90","","94.428","0.003","90","","1305.63","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Flu.D-PTSA-H2O (1:2:3)","","","- C21 H27 F3 N2 O11 S2 -","- C21 H27 F3 N2 O11 S2 -","- C42 H54 F6 N4 O22 S4 -","2","1","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.1044","0.056","","","0.098","0.1147","","","","","","1.015","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249733","29.2994","0.0002","7.4757","0.0005","14.7336","0.001","90","","90","","90","","3227.2","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Flu.D-PTSA(2:2)","","","- C14 H13 F3 N2 O5 S -","- C14 H13 F3 N2 O5 S -","- C112 H104 F24 N16 O40 S8 -","8","2","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0429","0.0329","","","0.0679","0.0726","","","","","","1.017","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249734","27.3846","0.0004","7.4463","0.0008","14.8172","0.0017","90","","90","","90","","3021.4","0.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Flu.D-BSA(2:2)","","","- C13 H11 F3 N2 O5 S -","- C13 H11 F3 N2 O5 S -","- C104 H88 F24 N16 O40 S8 -","8","2","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0457","0.0362","","","0.0774","0.0807","","","","","","1.059","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249735","12.9132","0.0014","10.6737","0.0011","18.342","0.002","90","","92.616","0.005","90","","2525.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Flu.D-ESA(2:2)","","","- C9 H11 F3 N2 O5 S -","- C9 H11 F3 N2 O5 S -","- C72 H88 F24 N16 O40 S8 -","8","2","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0981","0.0438","","","0.098","0.1216","","","","","","1.014","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249736","7.4616","0.0017","21.345","0.004","27.575","0.006","94.444","0.005","93.278","0.006","94.635","0.006","4355.4","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Flu.D-BSA(6:6)","","","- C13 H11 F3 N2 O5 S -","- C13 H11 F3 N2 O5 S -","- C156 H132 F36 N24 O60 S12 -","12","6","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.096","0.0444","","","0.0943","0.1167","","","","","","1.019","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249737","28.2765","0.0006","17.2824","0.0003","27.3501","0.0004","90","","99.8503","0.0018","90","","13168.6","0.4","151","12","151","12","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H22 Cd2 F4 N6 O8 -","- C43 H20 Cd2 F4 N6 O8 -","- C344 H160 Cd16 F32 N48 O64 -","8","1","","Fang, Han; Han, Jia-Peng; Zhang, Bo; Liu, Deng-Bo; Li, Xing-Wang; Li, Jing-Yu; He, Yutong; Yu, Mei-Hui","A versatile luminescent metal–organic framework for selective detection of Fe(iii) cations and Cr(vi) anions","CrystEngComm","2025","27","8","1139","1145","10.1039/D4CE01107D","","x-ray","1.54184","CuKα","","0.0455","0.0427","","","0.1307","0.1326","","","","","","1.076","","","","has coordinates","298178","2025-03-04","19:40:20",""
"7249738","7.0976","0.0004","9.1098","0.0005","11.0003","0.0006","86.013","0.002","84.06","0.002","82.39","0.002","700.08","0.07","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","(BAPPz)Cd2Br8.2H2O","","- C5 H16 Br4 Cd N2 O -","- C5 H16 Br4 Cd N2 O -","- C10 H32 Br8 Cd2 N4 O2 -","2","1","","Lin, Na; Hu, Zhao-Yang; Zhang, Xin-Yue; Zhang, Yu; Sun, Kai-Qi; Lei, Xiao-Wu; Jing, Zhihong; Chen, Zhi-Wei","Zero-dimensional cadmium halide with broad band yellow light emission for white light-emitting diodes","CrystEngComm","2025","27","7","939","947","10.1039/D4CE01174K","","","0.71073","MoKα","","0.0347","0.0299","","","0.073","0.0751","","","","","","1.078","","","","has coordinates,has disorder","298208","2025-03-04","19:49:28",""
"7249739","10.2374","0.0004","23.0415","0.0009","19.8634","0.0008","90","","104.574","0.001","90","","4534.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H29 Eu F12 N2 O9 S4 -","- C41 H29 Eu F12 N2 O9 S4 -","- C164 H116 Eu4 F48 N8 O36 S16 -","4","1","","Assunção, Israel P.; Costa, Israel F.; Blois, Lucca; Felinto, Maria Claudia F. C.; Deflon, Victor M.; Ando, Rômulo A.; Malta, Oscar L.; Brito, Hermi F.","High red luminescence intensity under sunlight exposure of a PMMA polymer doped with a tetrakis Eu3+ β-diketonate complex containing a benzimidazolium counterion","RSC Advances","2025","15","1","435","445","10.1039/D4RA06451H","","","0.71073","MoKα","","0.0366","0.0289","","","0.0616","0.0645","","","","","","1.038","","","","has coordinates,has disorder","297059","2025-01-04","01:59:19",""
"7249740","6.8059","0.0003","9.5499","0.0004","22.0878","0.001","90","","90","","90","","1435.61","0.11","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 F3 N O2 -","- C15 H14 F3 N O2 -","- C60 H56 F12 N4 O8 -","4","1","","Liang, Hanyu; Cao, Jiaxuan; Zhang, Hailong; Huang, Longjie; Liu, Siqi; Wu, Tianhao; Xiao, Xiao; Zhao, Baoguo","Direct asymmetric α-C–H functionalization of N-unprotected allylamine catalyzed by chiral pyridoxal","Green Chemistry","2025","27","5","1374","1380","10.1039/D4GC05739B","","","1.54178","CuKα","","0.0443","0.0403","","","0.103","0.1078","","","","","","1.077","","","","has coordinates","298958","2025-04-05","03:27:43",""
"7249741","5.8722","0.0004","15.561","0.001","28.0723","0.0018","90","","90","","90","","2565.2","0.3","170","","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 Br F3 N O3 -","- C28 H27 Br F3 N O3 -","- C112 H108 Br4 F12 N4 O12 -","4","1","","Liang, Hanyu; Cao, Jiaxuan; Zhang, Hailong; Huang, Longjie; Liu, Siqi; Wu, Tianhao; Xiao, Xiao; Zhao, Baoguo","Direct asymmetric α-C–H functionalization of N-unprotected allylamine catalyzed by chiral pyridoxal","Green Chemistry","2025","27","5","1374","1380","10.1039/D4GC05739B","","","1.54178","CuKα","","0.057","0.0407","","","0.0806","0.0883","","","","","","1.061","","","","has coordinates","298958","2025-04-05","03:27:44",""
"7249742","9.7822","0.0007","10.6868","0.0008","11.0049","0.0008","84.42","0.003","63.871","0.003","87.806","0.003","1027.98","0.13","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H28 B N O4 S -","- C19 H28 B N O4 S -","- C38 H56 B2 N2 O8 S2 -","2","1","","Xiang, Panjie; Sun, Kai; Shi, Anzai; An, Jiangzhen; Chen, Xiaolan; Qu, Lingbo; Yu, Bing","Visible-light-induced 1,3-difunctionalization of allylboronic esters enabled by a 1,2-boron shift","Green Chemistry","2025","27","6","1820","1827","10.1039/D4GC06330A","","","0.71073","MoKα","","0.1045","0.0811","","","0.2334","0.2616","","","","","","1.0581","","","","has coordinates","298963","2025-04-05","03:28:42",""
"7249743","10.62874","0.00018","10.43514","0.00018","11.62031","0.00019","90","","93.7149","0.0015","90","","1286.13","0.04","121","2","121","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Cl3 N3 O -","- C11 H8 Cl3 N3 O -","- C44 H32 Cl12 N12 O4 -","4","1","","Nafie, Mohamed S.; Ali, M.; Alwehaibi, Moayad Abdullah; Alayyaf, Abdulmajeed Abdullah; Al-Muhanna, Muhanna K; Almuqati, Naif S.; Alghamdi, Abdullah A.; Haukka, Matti; Tariq, Syeda Sumayya; Ul-Haq, Zaheer; Barakat, Assem","Potent EGFR/PARP-1 inhibition by spirooxindole-triazole hybrids for targeted liver cancer therapy.","RSC advances","2025","15","1","58","74","10.1039/d4ra05966b","","x-ray","1.54184","CuKα","","0.0345","0.0309","","","0.0839","0.0861","","","","","","1.072","","","","has coordinates","297204","2025-01-08","02:02:33",""
"7249744","7.6668","0.0001","13.8977","0.0002","9.5441","0.0002","90","","111.742","0.002","90","","944.59","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H12 Cl3 N3 O2 -","- C20 H12 Cl3 N3 O2 -","- C40 H24 Cl6 N6 O4 -","2","1","","Nafie, Mohamed S.; Ali, M.; Alwehaibi, Moayad Abdullah; Alayyaf, Abdulmajeed Abdullah; Al-Muhanna, Muhanna K; Almuqati, Naif S.; Alghamdi, Abdullah A.; Haukka, Matti; Tariq, Syeda Sumayya; Ul-Haq, Zaheer; Barakat, Assem","Potent EGFR/PARP-1 inhibition by spirooxindole-triazole hybrids for targeted liver cancer therapy.","RSC advances","2025","15","1","58","74","10.1039/d4ra05966b","","","0.71073","MoKα","","0.0463","0.0373","","","0.0772","0.0819","","","","","","1.033","","","","has coordinates","297204","2025-01-08","02:02:34",""
"7249745","25.8395","0.0003","7.12869","0.00006","23.3863","0.0002","90","","114.78","0.0013","90","","3911.16","0.08","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H12 Cl3 N3 O S -","- C20 H12 Cl3 N3 O S -","- C160 H96 Cl24 N24 O8 S8 -","8","1","","Nafie, Mohamed S.; Ali, M.; Alwehaibi, Moayad Abdullah; Alayyaf, Abdulmajeed Abdullah; Al-Muhanna, Muhanna K; Almuqati, Naif S.; Alghamdi, Abdullah A.; Haukka, Matti; Tariq, Syeda Sumayya; Ul-Haq, Zaheer; Barakat, Assem","Potent EGFR/PARP-1 inhibition by spirooxindole-triazole hybrids for targeted liver cancer therapy.","RSC advances","2025","15","1","58","74","10.1039/d4ra05966b","","x-ray","1.54184","CuKα","","0.0304","0.0289","","","0.079","0.0799","","","","","","1.098","","","","has coordinates","297204","2025-01-08","02:02:35",""
"7249746","14.31","0.004","14.559","0.004","10.188","0.003","90","","103.215","0.007","90","","2066.4","1","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","1","","Zakharova, Daria V.; Aysin, Rinat R.; Pavlov, Alexander A.; Khanin, Dmirty A.; Platonova, Elena O.; Nelyubina, Yulia V.; Polezhaev, Alexander V.","Tandem Diels–Alder reaction overrules entropy: the gate to thermally stable, yet thermally recyclable furan-based polymers","Green Chemistry","2025","27","8","2263","2275","10.1039/D4GC04846F","","","0.71073","MoKα","","0.1401","0.0552","","","0.0879","0.1145","","","","","","0.972","","","","has coordinates","298957","2025-04-05","03:27:11",""
"7249747","9.8335","0.001","18.2519","0.0019","26.581","0.003","90","","90.016","0.003","90","","4770.8","0.9","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H54 N4 O11 S -","- C56 H54 N4 O11 S -","- C224 H216 N16 O44 S4 -","4","1","","Zakharova, Daria V.; Aysin, Rinat R.; Pavlov, Alexander A.; Khanin, Dmirty A.; Platonova, Elena O.; Nelyubina, Yulia V.; Polezhaev, Alexander V.","Tandem Diels–Alder reaction overrules entropy: the gate to thermally stable, yet thermally recyclable furan-based polymers","Green Chemistry","2025","27","8","2263","2275","10.1039/D4GC04846F","","","0.71073","MoKα","","0.0888","0.0481","","","0.0906","0.1068","","","","","","0.985","","","","has coordinates","298957","2025-04-05","03:27:18",""
"7249748","7.585","0.0005","7.9584","0.0004","10.8239","0.0006","100.883","0.002","93.12","0.002","118.456","0.002","556.16","0.06","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H11 F I N O2 -","- C10 H11 F I N O2 -","- C20 H22 F2 I2 N2 O4 -","2","1","","Zheng, Yongpeng; Wu, Yaodan; Li, Jianxiao; Wu, Wanqing; Yang, Shaorong; Qi, Chaorong; Jiang, Huanfeng","Palladium-catalyzed amination oxidation of electron-rich olefins in green media","Green Chemistry","2025","27","4","1018","1022","10.1039/D4GC05771F","","","0.71073","MoKα","","0.0198","0.018","","","0.0401","0.041","","","","","","1.069","","","","has coordinates","298960","2025-04-05","03:28:15",""
"7249749","10.7304","0.0009","11.1991","0.0009","12.3605","0.0008","93.057","0.006","96.405","0.006","99.535","0.007","1451.8","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Cl2 F3 N7 O4 -","- C26 H28 Cl2 F3 N7 O4 -","- C52 H56 Cl4 F6 N14 O8 -","2","1","","Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng","Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability","CrystEngComm","2025","27","6","820","832","10.1039/D4CE01111B","","x-ray","1.54184","CuKα","","0.0837","0.0669","","","0.182","0.2045","","","","","","1.0501","","","","has coordinates","298199","2025-03-04","19:47:51",""
"7249750","12.8844","0.0005","13.7991","0.0008","14.5572","0.0004","105.074","0.004","91.002","0.003","99.969","0.004","2456.06","0.19","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Cl4 N6 O2 -","- C23 H18 Cl4 N6 O2 -","- C92 H72 Cl16 N24 O8 -","4","2","","Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng","Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability","CrystEngComm","2025","27","6","820","832","10.1039/D4CE01111B","","x-ray","1.54184","CuKα","","0.1084","0.0935","","","0.2357","0.2462","","","","","","1.049","","","","has coordinates,has disorder","298199","2025-03-04","19:47:51",""
"7249751","8.9451","0.0009","10.4421","0.0009","15.1087","0.0013","75.104","0.007","73.77","0.008","75.903","0.008","1286.8","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cl2 N6 O3 -","- C26 H28 Cl2 N6 O3 -","- C52 H56 Cl4 N12 O6 -","2","1","","Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng","Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability","CrystEngComm","2025","27","6","820","832","10.1039/D4CE01111B","","x-ray","1.54184","CuKα","","0.0956","0.0745","","","0.2117","0.2345","","","","","","1.0663","","","","has coordinates","298199","2025-03-04","19:47:51",""
"7249752","9.2015","0.0009","11.6771","0.0007","14.8897","0.001","73.59","0.006","76.902","0.007","88.509","0.006","1493.5","0.2","149.9","0.2","149.9","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 Cl2 F3 N6 O2 -","- C23 H17 Cl2 F3 N6 O2 -","- C46 H34 Cl4 F6 N12 O4 -","2","1","","Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng","Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability","CrystEngComm","2025","27","6","820","832","10.1039/D4CE01111B","","x-ray","0.71073","MoKα","","0.0878","0.072","","","0.1978","0.2132","","","","","","1.0409","","","","has coordinates,has disorder","298199","2025-03-04","19:47:51",""
"7249753","6.24","0.0012","10.62","0.002","12.07","0.002","86.29","0.03","82.15","0.03","83.83","0.03","786.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Indolizine","ethyl 3-benzoyl-7-methoxyindolizine-1-carboxylate","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C38 H34 N2 O8 -","2","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0428","0.0423","","","0.1142","0.1148","","","","","","1.03","","","","has coordinates","298869","2025-04-05","02:43:18",""
"7249754","9.93","0.002","7.67","0.0015","21.32","0.004","90","","92.52","0.03","90","","1622.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Indolizine","ethyl 7-methoxy-3-(4-methylbenzoyl)indolizine-1-carboxylate","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0361","0.0359","","","0.101","0.1012","","","","","","1.047","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249755","9.55","0.0019","11.38","0.002","11.47","0.002","95.07","0.03","112.65","0.03","113.02","0.03","1016","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Indolizine","diethyl 3-(4-chlorobenzoyl)-7-methoxyindolizine-1,2-dicarboxylate","","- C22 H20 Cl N O6 -","- C22 H20 Cl N O6 -","- C44 H40 Cl2 N2 O12 -","2","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0336","0.0335","","","0.0919","0.092","","","","","","1.031","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249756","7.31","0.0015","8.96","0.0018","15.57","0.003","95.17","0.03","101.92","0.03","104.05","0.03","957.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Indolizine","diethyl 3-benzoyl-7-methoxyindolizine-1,2-dicarboxylate","","- C22 H21 N O6 -","- C22 H21 N O6 -","- C44 H42 N2 O12 -","2","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0368","0.0385","","","0.0998","0.1005","","","","","","1","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249757","24.539","0.005","4.481","0.0009","16.013","0.003","90","","97.34","0.03","90","","1746.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Indolizine","ethyl 7-methoxy-2-methyl-3-(4-methylbenzoyl)indolizine-1-carboxylate","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0497","0.0429","","","0.1191","0.1259","","","","","","1.002","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249758","9.58","0.0019","11.38","0.002","11.39","0.002","95.15","0.03","113.08","0.03","112.31","0.03","1014.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Indolizine","diethyl 7-methoxy-3-(4-methylbenzoyl)indolizine-1,2-dicarboxylate","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C46 H46 N2 O12 -","2","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0379","0.0374","","","0.1028","0.1033","","","","","","1.039","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249759","11.833","0.002","17.576","0.004","19.87","0.004","90","","100.91","0.03","90","","4057.8","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Indolizine","diethyl 7-methoxy-3-(4-nitrobenzoyl)indolizine-1,2-dicarboxylate","","- C22 H20 N2 O8 -","- C22 H20 N2 O8 -","- C176 H160 N16 O64 -","8","2","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0628","0.047","","","0.1189","0.129","","","","","","1.037","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249760","12.6512","0.0005","16.6417","0.0006","27.8412","0.001","93.091","0.003","93.967","0.003","111.555","0.003","5418.7","0.4","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","3-Dy","","- C79 H47 Dy3 F54 N8 O22 -","- C79 H47 Dy3 F54 N8 O22 -","- C158 H94 Dy6 F108 N16 O44 -","2","1","","Zhou, Yan; Xie, Junfang; Huang, Xiaohui; Jin, Chaoyi; Ma, Yue; Li, Licun","Lanthanide–radical complexes derived from a nitronyl nitroxide ligand with chelating and bridging functions: structure and magnetic properties","CrystEngComm","2025","27","8","1120","1127","10.1039/D4CE01184H","","","0.71073","MoKα","","0.1011","0.086","","","0.2212","0.2318","","","","","","1.054","","","","has coordinates","298182","2025-03-04","19:41:33",""
"7249761","13.3629","0.0004","17.106","0.0005","20.6415","0.0006","83.05","0.003","85.811","0.003","78.097","0.003","4577.4","0.2","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","1-Gd","","- C64 H44 F36 Gd2 N8 O16 -","- C64 H44 F36 Gd2 N8 O16 -","- C128 H88 F72 Gd4 N16 O32 -","2","1","","Zhou, Yan; Xie, Junfang; Huang, Xiaohui; Jin, Chaoyi; Ma, Yue; Li, Licun","Lanthanide–radical complexes derived from a nitronyl nitroxide ligand with chelating and bridging functions: structure and magnetic properties","CrystEngComm","2025","27","8","1120","1127","10.1039/D4CE01184H","","","0.71073","MoKα","","0.0798","0.0506","","","0.1216","0.138","","","","","","1.037","","","","has coordinates","298182","2025-03-04","19:41:34",""
"7249762","13.3092","0.0005","17.089","0.0009","20.6746","0.0009","83.017","0.004","85.211","0.003","78.285","0.004","4561.8","0.4","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","2-Nd","","- C64 H44 F36 N8 Nd2 O16 -","- C64 H44 F36 N8 Nd2 O16 -","- C128 H88 F72 N16 Nd4 O32 -","2","1","","Zhou, Yan; Xie, Junfang; Huang, Xiaohui; Jin, Chaoyi; Ma, Yue; Li, Licun","Lanthanide–radical complexes derived from a nitronyl nitroxide ligand with chelating and bridging functions: structure and magnetic properties","CrystEngComm","2025","27","8","1120","1127","10.1039/D4CE01184H","","x-ray","0.71073","MoKα","","0.1015","0.0844","","","0.2313","0.2495","","","","","","1.035","","","","has coordinates","298182","2025-03-04","19:41:34",""
"7249763","25.4662","0.0014","13.0867","0.0005","24.1761","0.0014","90","","114.318","0.007","90","","7342.3","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 F3 N O3 P2 S -","- C42 H32 F3 N O3 P2 S -","- C336 H256 F24 N8 O24 P16 S8 -","8","1","","Montoli, Arianna; Dimasi, Alessandro; Guarnaccia, Miriana; Citarella, Andrea; Ronchi, Paolo; Blasi, Delia; Rossi, Sergio; Passarella, Daniele; Fasano, Valerio","Mechanistic insights into the base-mediated deuteration of pyridyl phosphonium and ammonium salts","RSC Advances","2025","15","2","870","874","10.1039/D4RA07557A","","x-ray","0.71073","MoKα","","0.2089","0.0674","","","0.1542","0.2072","","","","","","0.966","","","","has coordinates,has disorder","297291","2025-01-12","01:38:29",""
"7249764","8.1663","0.0003","10.5584","0.0003","12.5335","0.0004","100.815","0.0012","91.1157","0.0013","111.431","0.0012","983.5","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 N2 O18 U2 -","- C38 H38 N2 O18 U2 -","- C38 H38 N2 O18 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0229","0.0202","","","0.0506","0.0522","","","","","","1.058","","","","has coordinates","298204","2025-03-04","19:48:45",""
"7249765","9.7403","0.0005","10.6942","0.0005","10.9139","0.0005","90","","96.3201","0.0019","90","","1129.93","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O14 U2 -","- C18 H16 N2 O14 U2 -","- C36 H32 N4 O28 U4 -","2","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0194","0.0191","","","0.0469","0.0472","","","","","","1.126","","","","has coordinates","298204","2025-03-04","19:48:46",""
"7249766","8.7832","0.0004","9.7665","0.0005","11.6623","0.0006","76.391","0.002","83.846","0.002","81.044","0.002","957.87","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N2 O16 U2 -","- C34 H38 N2 O16 U2 -","- C34 H38 N2 O16 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0467","0.0457","","","0.1179","0.1185","","","","","","1.231","","","","has coordinates","298204","2025-03-04","19:48:46",""
"7249767","11.235","0.0004","13.3313","0.0005","14.3587","0.0005","90","","109.338","0.0016","90","","2029.27","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N2 O17 U2 -","- C38 H36 N2 O17 U2 -","- C76 H72 N4 O34 U4 -","2","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0323","0.0321","","","0.0745","0.0746","","","","","","1.349","","","","has coordinates,has disorder","298204","2025-03-04","19:48:46",""
"7249768","8.4515","0.0003","10.5811","0.0004","10.585","0.0003","75.8824","0.0011","72.1083","0.0012","75.7896","0.0014","858.55","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N2 O20 U2 -","- C32 H30 N2 O20 U2 -","- C32 H30 N2 O20 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0219","0.0206","","","0.051","0.0521","","","","","","1.114","","","","has coordinates,has disorder","298204","2025-03-04","19:48:46",""
"7249769","8.8565","0.0002","9.0719","0.0003","11.6001","0.0003","73.5981","0.0009","86.2684","0.0009","68.7753","0.0009","832.72","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N2 O16 U2 -","- C32 H34 N2 O16 U2 -","- C32 H34 N2 O16 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.02","0.0175","","","0.0419","0.0426","","","","","","1.118","","","","has coordinates","298204","2025-03-04","19:48:46",""
"7249770","8.3083","0.0003","9.7524","0.0003","13.3763","0.0005","99.2243","0.0017","100.684","0.0018","108.614","0.0016","980.89","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N4 O18 U2 -","- C36 H32 N4 O18 U2 -","- C36 H32 N4 O18 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0234","0.0223","","","0.0565","0.0574","","","","","","1.118","","","","has coordinates","298204","2025-03-04","19:48:46",""
"7249771","6.1137","0.0005","24.053","0.002","15.7613","0.0012","90","","92.357","0.003","90","","2315.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23.57 N3 O5.29 -","- C26 H23.572 N3 O5.286 -","- C104 H94.288 N12 O21.144 -","4","1","","Ali, Muhammad Imran; Hussain, Javid; Anwar, Muhammad Usman; Al-Harrasi, Ahmed; Naseer, Muhammad Moazzam","Intramolecular noncovalent C-bonding driven conformational preference in spiroisatin-based N-acyl hydrazones","RSC Advances","2025","15","2","1152","1162","10.1039/D4RA08086F","","","0.71073","MoKα","","0.0692","0.0452","","","0.1015","0.1165","","","","","","1.071","","","","has coordinates,has disorder","297309","2025-01-14","02:06:00",""
"7249772","11.3766","0.0009","15.4494","0.001","20.4864","0.0017","90","","90","","90","","3600.7","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N4 O6 -","- C19 H16 N4 O6 -","- C152 H128 N32 O48 -","8","1","","Ali, Muhammad Imran; Hussain, Javid; Anwar, Muhammad Usman; Al-Harrasi, Ahmed; Naseer, Muhammad Moazzam","Intramolecular noncovalent C-bonding driven conformational preference in spiroisatin-based N-acyl hydrazones","RSC Advances","2025","15","2","1152","1162","10.1039/D4RA08086F","","","0.71073","MoKα","","0.0841","0.0535","","","0.1154","0.1358","","","","","","1.086","","","","has coordinates","297309","2025-01-14","02:06:01",""
"7249773","12.995","0.003","14.11","0.003","9.66","0.003","90","","101.684","0.017","90","","1734.6","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O5 -","- C19 H17 N3 O5 -","- C76 H68 N12 O20 -","4","1","","Ali, Muhammad Imran; Hussain, Javid; Anwar, Muhammad Usman; Al-Harrasi, Ahmed; Naseer, Muhammad Moazzam","Intramolecular noncovalent C-bonding driven conformational preference in spiroisatin-based N-acyl hydrazones","RSC Advances","2025","15","2","1152","1162","10.1039/D4RA08086F","","","0.71073","MoKα","","0.0958","0.0557","","","0.1115","0.1363","","","","","","1.112","","","","has coordinates","297309","2025-01-14","02:06:02",""
"7249774","14.1331","0.0001","8.8013","0.0001","21.0334","0.0001","90","","105.146","0.0006","90","","2525.45","0.04","95","","95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Br F N3 O5 -","- C28 H25 Br F N3 O5 -","- C112 H100 Br4 F4 N12 O20 -","4","1","","Ramesh, Sreela; Zmeškalová, Eliška; Kučeráková, Monika; Zvoníček, Vít; Šoóš, Miroslav","Salt formation of cabozantinib with hydrochloric and hydrobromic acids – influence on the in vitro dissolution behavior and food effect","CrystEngComm","2025","27","7","1026","1033","10.1039/D4CE01278J","","","1.54184","CuKα","","0.0344","0.0342","","0.09","0.0899","0.09","","","","","","1.0322","","","","has coordinates","298205","2025-03-04","19:49:04",""
"7249775","8.4541","0.0001","18.1835","0.0004","41.4054","0.0006","90","","90","","90","","6365.05","0.18","140","","140","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H29 F N4 O8 S -","- C35 H29 F N4 O8 S -","- C280 H232 F8 N32 O64 S8 -","8","1","","Ramesh, Sreela; Zmeškalová, Eliška; Kučeráková, Monika; Zvoníček, Vít; Šoóš, Miroslav","Salt formation of cabozantinib with hydrochloric and hydrobromic acids – influence on the in vitro dissolution behavior and food effect","CrystEngComm","2025","27","7","1026","1033","10.1039/D4CE01278J","","","1.54184","CuKα","","0.0431","0.0376","","0.0985","0.0945","0.0985","","","","","","1.0167","","","","has coordinates","298205","2025-03-04","19:49:04",""
"7249776","8.2418","0.0002","15.0392","0.0003","19.989","0.0004","90","","91.61","0.0018","90","","2476.66","0.09","95","0.2","95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl F N3 O5 -","- C28 H25 Cl F N3 O5 -","- C112 H100 Cl4 F4 N12 O20 -","4","1","","Ramesh, Sreela; Zmeškalová, Eliška; Kučeráková, Monika; Zvoníček, Vít; Šoóš, Miroslav","Salt formation of cabozantinib with hydrochloric and hydrobromic acids – influence on the in vitro dissolution behavior and food effect","CrystEngComm","2025","27","7","1026","1033","10.1039/D4CE01278J","","x-ray","1.54184","CuKα","","0.0376","0.033","","","0.0923","0.0951","","","","1.7055","1.7055","1.6408","","","","has coordinates","298205","2025-03-04","19:49:04",""
"7249777","15.3531","0.0004","11.7391","0.0003","18.1384","0.0005","90","","109.297","0.001","90","","3085.45","0.14","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H16 Mn4 Na8 O68 W12 -","- H16 Mn4 Na8 O68 W12 -","- H32 Mn8 Na16 O136 W24 -","2","0.5","","Gong, Lige; Wang, Meijia; Wang, Jihua; Dong, Limin; Gu, Yunhao; Yang, Binghe; Li, Hui","Three-dimensional 14-core manganese-sodium-based polyoxometalate with unique channels as bifunctional electrocatalysts for overall water splitting","CrystEngComm","2025","27","7","974","988","10.1039/D4CE00945B","","","0.71073","MoKα","","0.0536","0.0474","","","0.1268","0.1317","","","","","","1.056","","","","has coordinates","298206","2025-03-04","19:49:14",""
"7249778","13.7848","0.0005","20.9048","0.0007","26.7438","0.0009","90","","97.288","0.001","90","","7644.5","0.5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C0.02 H0.02 Cu N0.02 O W -","- C4.09756 H6.43902 Cu0.0174634 N1.17073 O4.19512 W1.17073 -","- C168 H264 Cu0.716 N48 O172 W48 -","41","10.25","","Gong, Lige; Wang, Meijia; Wang, Jihua; Dong, Limin; Gu, Yunhao; Yang, Binghe; Li, Hui","Three-dimensional 14-core manganese-sodium-based polyoxometalate with unique channels as bifunctional electrocatalysts for overall water splitting","CrystEngComm","2025","27","7","974","988","10.1039/D4CE00945B","","","0.71073","MoKα","","0.0816","0.0651","","","0.1874","0.2059","","","","","","1.048","","","","has coordinates","298206","2025-03-04","19:49:14",""
"7249779","7.0255","0.0008","13.8315","0.0014","14.2849","0.0015","90","","99.029","0.011","90","","1370.9","0.3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H12 Cl Cu N2 O6 -","- C12 H12 Cl Cu N2 O6 -","- C48 H48 Cl4 Cu4 N8 O24 -","4","0.5","","Atta, Sawaira; Siddique, Amna; Qasim, Muhammad Naveed; AlDamen, Murad A.; Sheikh, Tahir Ali; Sadullayevich, Normamatov Adkhamjon; Ibragimov, Aziz B.; Akhtar, Muhammad Nadeem","Perchlorate-supported Cu(ii)-based 1D polymeric chains containing 1,10-phenanthroline: synthesis, characterization and adsorption of organic dyes and heavy metal ions","CrystEngComm","2025","27","9","1346","1362","10.1039/D4CE01126K","","x-ray","1.54184","CuKα","","0.067","0.0607","","","0.1693","0.1791","","","","","","1.137","","","","has coordinates","298213","2025-03-04","19:50:56",""
"7249780","6.5124","0.0003","6.7635","0.0002","13.9013","0.0005","81.841","0.003","81.532","0.003","63.93","0.004","541.95","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N8 S6 -","- C18 H14 N8 S6 -","- C18 H14 N8 S6 -","1","0.5","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin","The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals","CrystEngComm","2025","27","6","784","794","10.1039/D4CE01153H","","x-ray","1.54184","CuKα","","0.0225","0.0214","","","0.0559","0.0564","","","","","","1.057","","","","has coordinates","298200","2025-03-04","19:48:04",""
"7249781","8.0157","0.0001","8.5707","0.0001","11.0442","0.0001","110.316","0.001","106.348","0.001","95.818","0.001","665.851","0.015","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N6 S4 -","- C8 H8 N6 S4 -","- C16 H16 N12 S8 -","2","1","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin","The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals","CrystEngComm","2025","27","6","784","794","10.1039/D4CE01153H","","x-ray","1.54184","CuKα","","0.0336","0.0302","","","0.0855","0.0886","","","","","","1.051","","","","has coordinates","298200","2025-03-04","19:48:05",""
"7249782","4.4955","0.0001","16.5288","0.0003","14.9573","0.0003","90","","96.579","0.002","90","","1104.09","0.04","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N5 O S3 -","- C7 H7 N5 O S3 -","- C28 H28 N20 O4 S12 -","4","1","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin","The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals","CrystEngComm","2025","27","6","784","794","10.1039/D4CE01153H","","x-ray","0.71073","MoKα","","0.0313","0.0254","","","0.0629","0.0646","","","","","","1.108","","","","has coordinates","298200","2025-03-04","19:48:05",""
"7249783","19.96872","0.00014","5.45162","0.00003","23.70011","0.00017","90","","111.753","0.0008","90","","2396.31","0.03","293","2","293","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N10 S8 -","- C14 H12 N10 S8 -","- C56 H48 N40 S32 -","4","0.5","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin","The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals","CrystEngComm","2025","27","6","784","794","10.1039/D4CE01153H","","x-ray","1.54184","CuKα","","0.0238","0.0226","","","0.062","0.0628","","","","","","1.071","","","","has coordinates","298200","2025-03-04","19:48:05",""
"7249784","9.9366","0.0004","10.1419","0.0004","14.5001","0.0006","96.998","0.002","94.577","0.002","111.265","0.002","1339.43","0.1","299","2","299","2","","","","","","","","4","P -1","-P 1","2","Kurtan KM62","","","- C30 H29 N3 O5 -","- C30 H29 N3 O5 -","- C60 H58 N6 O10 -","2","1","","Kajtár, Mihály; Király, Sándor Balázs; Bényei, Attila; Kiss-Szikszai, Attila; Kónya-Ábrahám, Anita; Horváth, Lilla Borbála; Bősze, Szilvia; Kotschy, Andras; Paczal, Attila; Kurtán, Tibor","Knoevenagel-IMHDA and -IMSDA sequences for the synthesis of chiral condensed O,N-, S,N- and N-heterocycles","RSC Advances","2025","15","2","1230","1248","10.1039/D4RA08353A","","x-ray","0.71073","MoKα","","0.0739","0.0522","","","0.135","0.157","","","","","","1.019","","","","has coordinates","297348","2025-01-16","02:24:29",""
"7249785","5.8551","0.0007","10.1414","0.0012","15.2595","0.0017","106.479","0.005","96.585","0.005","95.737","0.005","854.75","0.17","295","2","295","2","","","","","","","","4","P -1","-P 1","2","KM321/1","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C40 H46 N2 O6 -","2","1","","Kajtár, Mihály; Király, Sándor Balázs; Bényei, Attila; Kiss-Szikszai, Attila; Kónya-Ábrahám, Anita; Horváth, Lilla Borbála; Bősze, Szilvia; Kotschy, Andras; Paczal, Attila; Kurtán, Tibor","Knoevenagel-IMHDA and -IMSDA sequences for the synthesis of chiral condensed O,N-, S,N- and N-heterocycles","RSC Advances","2025","15","2","1230","1248","10.1039/D4RA08353A","","x-ray","0.71073","MoKα","","0.116","0.0962","","","0.3058","0.3195","","","","","","1.073","","","","has coordinates","297348","2025-01-16","02:24:30",""
"7249786","8.9333","0.0005","10.9751","0.0006","11.0707","0.0006","90","","90.371","0.002","90","","1085.39","0.1","304","2","304","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-hydroxy-2-(naphthalen-1-yl)-1H-imidazole 3-oxide","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Mukhia, Munna; Rai, Sagar; Rai, Yachna; Chakraborty, Koushik; Dey, Sangita; Tiwary, Bipransh Kumar; Brahman, Dhiraj; Kumar, Anoop; Pradhan, Kiran","Scalable ultrasound-assisted synthesis of hydroxy imidazole N-oxides and evaluation of their anti-proliferative activities; mechanistic insights into the deoximation of dioximes","RSC Advances","2025","15","2","938","946","10.1039/D4RA07893D","","","0.71073","MoKα","","0.0412","0.0358","","","0.0923","0.097","","","","","","1.088","","","","has coordinates","297349","2025-01-16","02:25:09",""
"7249787","13.86","0.004","4.3787","0.0012","35.14","0.009","90","","93.77","0.004","90","","2128","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Pb-btdb","","","- C23 H17 N3 O5 Pb S -","- C23 H17 N3 O5 Pb S -","- C92 H68 N12 O20 Pb4 S4 -","4","1","","Zhang, Hangchuan; Guo, Jingpeng; Liu, Lin; Yu, Zhan; Wei, Na","Thiadiazole-functionalized Pb(ii)-MOF for “turn-on” fluorescence selective sensing of Al3+","CrystEngComm","2025","27","7","956","963","10.1039/D4CE01233J","","","0.71073","MoKα","","0.0466","0.0316","","","0.0616","0.0658","","","","","","1.029","","","","has coordinates","298207","2025-03-04","19:49:21",""
"7249788","13.8479","0.0006","11.5901","0.0004","9.8993","0.0004","90","","108.077","0.005","90","","1510.4","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N5 O2 -","- C14 H19 N5 O2 -","- C56 H76 N20 O8 -","4","1","","Toynton, Arthur; Ferrins, Lori; Newson, Harriet; Sykes, Melissa; Varghese, Swapna; Nguyen, Nghi; Russell, Stephanie; Rahmani, Raphaël; Cheang, Jeremy; Flematti, Gavin; Skelton, Brian W.; Zulfiqar, Bilal; Avery, Vicky Mary; Baell, Jonathan Bayldon; Piggott, Matthew","Heterocyclic Core Modifications in Trypanosomacidal 2-[(Phenylheteroaryl)ethyl]ureas","RSC Medicinal Chemistry","2025","","","","","10.1039/D4MD00764F","","","0.71073","MoKα","","0.0601","0.0457","","","0.1035","0.1124","","","","","","1.03","","","","has coordinates","297372","2025-01-18","00:38:10",""
"7249789","5.5985","0.0001","7.6657","0.0002","15.0325","0.0004","90","","96.928","0.002","90","","640.43","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 F3 N4 O2 -","- C12 H13 F3 N4 O2 -","- C24 H26 F6 N8 O4 -","2","1","","Toynton, Arthur; Ferrins, Lori; Newson, Harriet; Sykes, Melissa; Varghese, Swapna; Nguyen, Nghi; Russell, Stephanie; Rahmani, Raphaël; Cheang, Jeremy; Flematti, Gavin; Skelton, Brian W.; Zulfiqar, Bilal; Avery, Vicky Mary; Baell, Jonathan Bayldon; Piggott, Matthew","Heterocyclic Core Modifications in Trypanosomacidal 2-[(Phenylheteroaryl)ethyl]ureas","RSC Medicinal Chemistry","2025","","","","","10.1039/D4MD00764F","","","1.54178","CuKα","","0.0269","0.0258","","","0.0667","0.0677","","","","","","1.035","","","","has coordinates","297372","2025-01-18","00:38:13",""
"7249790","5.3663","0.0001","5.4055","0.0001","39.3933","0.0009","90","","90","","90","","1142.7","0.04","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 Cl N4 -","- C10 H13 Cl N4 -","- C40 H52 Cl4 N16 -","4","1","","Toynton, Arthur; Ferrins, Lori; Newson, Harriet; Sykes, Melissa; Varghese, Swapna; Nguyen, Nghi; Russell, Stephanie; Rahmani, Raphaël; Cheang, Jeremy; Flematti, Gavin; Skelton, Brian W.; Zulfiqar, Bilal; Avery, Vicky Mary; Baell, Jonathan Bayldon; Piggott, Matthew","Heterocyclic Core Modifications in Trypanosomacidal 2-[(Phenylheteroaryl)ethyl]ureas","RSC Medicinal Chemistry","2025","","","","","10.1039/D4MD00764F","","","0.71073","MoKα","","0.0508","0.0433","","","0.0913","0.0943","","","","","","1.073","","","","has coordinates","297372","2025-01-18","00:38:20",""
"7249791","13.8888","0.0013","11.5","0.0007","9.9679","0.0007","90","","107.959","0.008","90","","1514.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N4 O2 -","- C15 H20 N4 O2 -","- C60 H80 N16 O8 -","4","1","","Toynton, Arthur; Ferrins, Lori; Newson, Harriet; Sykes, Melissa; Varghese, Swapna; Nguyen, Nghi; Russell, Stephanie; Rahmani, Raphaël; Cheang, Jeremy; Flematti, Gavin; Skelton, Brian W.; Zulfiqar, Bilal; Avery, Vicky Mary; Baell, Jonathan Bayldon; Piggott, Matthew","Heterocyclic Core Modifications in Trypanosomacidal 2-[(Phenylheteroaryl)ethyl]ureas","RSC Medicinal Chemistry","2025","","","","","10.1039/D4MD00764F","","","0.71073","MoKα","","0.0768","0.0463","","","0.093","0.1024","","","","","","1.036","","","","has coordinates","297372","2025-01-18","00:38:22",""
"7249792","6.4229","0.0003","7.1501","0.0002","13.024","0.0004","74.165","0.002","84.153","0.003","86.204","0.003","571.97","0.04","99.9","0.5","99.9","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C24 H22 N6 O8 -","2","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta","Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions","RSC Advances","2025","15","3","1514","1526","10.1039/D4RA07856J","","x-ray","1.54184","CuKα","","0.0399","0.0377","","","0.1186","0.1211","","","","","","1.115","","","","has coordinates","297380","2025-01-19","01:53:28",""
"7249793","5.1916","0.0001","8.5358","0.0001","29.4619","0.0005","90","","90","","90","","1305.59","0.04","99.9","0.5","99.9","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta","Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions","RSC Advances","2025","15","3","1514","1526","10.1039/D4RA07856J","","x-ray","1.54184","CuKα","","0.0303","0.0286","","","0.0734","0.0746","","","","","","1.048","","","","has coordinates","297380","2025-01-19","01:53:30",""
"7249794","26.7493","0.0005","5.8066","0.0001","7.7294","0.0002","90","","95.511","0.002","90","","1195","0.04","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta","Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions","RSC Advances","2025","15","3","1514","1526","10.1039/D4RA07856J","","x-ray","1.54184","CuKα","","0.0511","0.0478","","","0.129","0.1303","","","","","","1.198","","","","has coordinates","297380","2025-01-19","01:53:30",""
"7249795","14.307","0.0003","7.2909","0.0001","13.4037","0.0002","90","","114.076","0.002","90","","1276.52","0.04","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta","Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions","RSC Advances","2025","15","3","1514","1526","10.1039/D4RA07856J","","x-ray","1.54184","CuKα","","0.0344","0.0328","","","0.09","0.0912","","","","","","1.076","","","","has coordinates","297380","2025-01-19","01:53:30",""
"7249796","5.9786","0.0001","7.2442","0.0001","36.294","0.0005","90","","90","","90","","1571.9","0.04","99.9","0.6","99.9","0.6","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C72 H84 N12 O8 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta","Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions","RSC Advances","2025","15","3","1514","1526","10.1039/D4RA07856J","","x-ray","1.54184","CuKα","","0.0637","0.0598","","","0.0936","0.0953","","","","","","1.194","","","","has coordinates","297380","2025-01-19","01:53:31",""
"7249797","16.203","0.0002","13.0346","0.0001","6.7663","0.0001","90","","94.055","0.001","90","","1425.46","0.03","99.9","0.6","99.9","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta","Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions","RSC Advances","2025","15","3","1514","1526","10.1039/D4RA07856J","","x-ray","1.54184","CuKα","","0.0649","0.0612","","","0.1734","0.1747","","","","","","1.275","","","","has coordinates","297380","2025-01-19","01:53:31",""
"7249798","5.304","0.0001","8.7988","0.0001","29.2208","0.0003","90","","90","","90","","1363.7","0.03","100.02","0.1","100.02","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br N2 O -","- C15 H15 Br N2 O -","- C60 H60 Br4 N8 O4 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta","Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions","RSC Advances","2025","15","3","1514","1526","10.1039/D4RA07856J","","x-ray","1.54184","CuKα","","0.0218","0.0209","","","0.0507","0.0511","","","","","","1.042","","","","has coordinates","297380","2025-01-19","01:53:31",""
"7249799","4.6156","0.0001","9.4927","0.0001","30.124","0.0004","90","","93.547","0.001","90","","1317.34","0.04","99.9","0.5","99.9","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl2 N2 O -","- C14 H12 Cl2 N2 O -","- C56 H48 Cl8 N8 O4 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta","Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions","RSC Advances","2025","15","3","1514","1526","10.1039/D4RA07856J","","x-ray","1.54184","CuKα","","0.0249","0.024","","","0.0659","0.0664","","","","","","1.086","","","","has coordinates","297380","2025-01-19","01:53:31",""
"7249800","9.9238","0.0001","23.4635","0.0003","11.492","0.0002","90","","105.805","0.001","90","","2574.72","0.06","105","7","105","7","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N3 O3 S -","- C12 H11 N3 O3 S -","- C96 H88 N24 O24 S8 -","8","2","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta","Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions","RSC Advances","2025","15","3","1514","1526","10.1039/D4RA07856J","","x-ray","1.54184","CuKα","","0.034","0.0307","","","0.087","0.089","","","","","","1.063","","","","has coordinates","297380","2025-01-19","01:53:31",""
"7249801","11.9508","0.0001","7.2947","0.0001","16.1641","0.0002","90","","97.896","0.001","90","","1395.79","0.03","100.01","0.13","100.01","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C64 H76 N12 O4 -","4","2","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta","Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions","RSC Advances","2025","15","3","1514","1526","10.1039/D4RA07856J","","x-ray","1.54184","CuKα","","0.0377","0.0351","","","0.0937","0.099","","","","","","1.067","","","","has coordinates","297380","2025-01-19","01:53:32",""
"7249802","8.705","0.0002","10.4508","0.0003","12.106","0.0003","107.888","0.001","103.691","0.001","104.046","0.001","957.24","0.04","300","2","300","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H13 In2 N3 O14.5 P2 -","- C9 H13 In2 N3 O14.5 P2 -","- C18 H26 In4 N6 O29 P4 -","2","1","","Wen, Xuemei; Li, Ying; Zhao, Yan; Li, Jing; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Histidine-directed synthesis and optical properties of two indium phosphite–oxalates with three-dimensional structures","CrystEngComm","2025","27","7","903","907","10.1039/D4CE01135J","","x-ray","0.71073","MoKα","","0.0316","0.0226","","","0.0482","0.0508","","","","","","1.058","","","","has coordinates","298209","2025-03-04","19:49:38",""
"7249803","8.397","0.0002","23.4886","0.0008","9.9675","0.0003","90","","108.292","0.001","90","","1866.59","0.1","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H28 In4 N6 O30 P6 -","- C16 H28 In4 N6 O30 P6 -","- C32 H56 In8 N12 O60 P12 -","2","1","","Wen, Xuemei; Li, Ying; Zhao, Yan; Li, Jing; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Histidine-directed synthesis and optical properties of two indium phosphite–oxalates with three-dimensional structures","CrystEngComm","2025","27","7","903","907","10.1039/D4CE01135J","","","0.71073","MoKα","","0.0416","0.0321","","","0.0695","0.0732","","","","","","1.052","","","","has coordinates","298209","2025-03-04","19:49:38",""
"7249804","21.6779","0.0008","21.6779","0.0008","12.6682","0.0005","90","","90","","120","","5155.6","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H14 Mn2 N8 O4 -","- C18 H14 Mn2 N8 O4 -","- C162 H126 Mn18 N72 O36 -","9","0.5","","Liu, Han-Fu; Hu, Zhi-Rong; Wu, Tai-Xue; Hao, Hong-Mei; Li, Hai-Ye; Huang, Fu-Ping","A 3D rigid Mn-MOF heterogeneous catalyst for thioether oxidation, cyanosilylation and Knoevenagel condensation","CrystEngComm","2025","27","9","1307","1314","10.1039/D4CE01075B","","x-ray","0.71073","MoKα","","0.0769","0.0502","","","0.1178","0.1325","","","","","","1.064","","","","has coordinates","298214","2025-03-04","19:51:07",""
"7249805","8.9753","0.0002","10.8907","0.0002","20.9485","0.0004","85.702","0.002","80.124","0.002","85.417","0.002","2006.95","0.07","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 Cl4 Fe N6 O9 -","- C42 H26 Cl3.989 Fe N6 O9 -","- C84 H52 Cl7.978 Fe2 N12 O18 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0673","0.0524","","","0.1346","0.1418","","","","","","1.096","","","","has coordinates,has disorder","298212","2025-03-04","19:50:40",""
"7249806","8.9669","0.0002","10.9875","0.0002","20.9096","0.0004","85.627","0.001","80.052","0.002","85.213","0.002","2018.03","0.07","292.6","0.3","292.6","0.3","","","","","","","","6","P -1","-P 1","2","","[Co(C15N3H11)2](C6O4H2Cl2)0.5(C6O4HCl2)(C6O4Cl2)0.5(H2O)","","- C42 H26 Cl4 Co N6 O9 -","- C42 H26 Cl4 Co N6 O9 -","- C84 H52 Cl8 Co2 N12 O18 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0715","0.0516","","","0.1255","0.1346","","","","","","1.032","","","","has coordinates","298212","2025-03-04","19:50:40",""
"7249807","9.0426","0.0002","9.0675","0.0003","22.4477","0.0006","92.511","0.002","96.2","0.002","90.655","0.002","1827.81","0.09","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Cl1.99 N6 Ni O10.01 -","- C36 H34 Cl1.985 N6 Ni O10 -","- C72 H68 Cl3.97 N12 Ni2 O20 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0847","0.0546","","","0.1088","0.1185","","","","","","1.046","","","","has coordinates,has disorder","298212","2025-03-04","19:50:40",""
"7249808","8.9581","0.0003","11.035","0.0003","20.9833","0.0005","85.086","0.002","80.136","0.002","85.18","0.002","2030.99","0.1","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 Cl4 N6 Ni O9 -","- C42 H26 Cl4 N6 Ni O9 -","- C84 H52 Cl8 N12 Ni2 O18 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0557","0.0432","","","0.1013","0.1071","","","","","","1.017","","","","has coordinates","298212","2025-03-04","19:50:40",""
"7249809","9.018","0.0002","9.0232","0.0001","22.2494","0.0003","91.685","0.001","95.684","0.001","90.432","0.002","1800.68","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Cl2 Fe N6 O10 -","- C36 H34 Cl2 Fe N6 O10 -","- C72 H68 Cl4 Fe2 N12 O20 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0731","0.046","","","0.0945","0.1025","","","","","","1.019","","","","has coordinates","298212","2025-03-04","19:50:40",""
"7249810","9.03554","0.00012","9.0471","0.00013","22.3304","0.0003","92.077","0.0012","95.9851","0.0011","90.5673","0.0011","1814.09","0.04","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Cl2 Co N6 O10 -","- C36 H34 Cl2 Co N6 O10 -","- C72 H68 Cl4 Co2 N12 O20 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0598","0.0421","","","0.0872","0.0929","","","","","","1.031","","","","has coordinates","298212","2025-03-04","19:50:40",""
"7249811","7.8217","0.0003","28.8712","0.001","10.016","0.0003","90","","109.4","0.001","90","","2133.41","0.13","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C104 H104 N8 O8 -","4","1","","Zhu, Yu; Lv, Xueli; Hong, Jun; Wu, Shengxing; Li, Zhi; Wang, Minyan; Jiang, Xinpeng","Amine-promoted three-component cycloaddition of bicyclo[1.1.0]butanes with hydroxylamine and polyformaldehyde: expedient access to 2-oxa-3-azabicyclo[3.1.1]heptanes","Green Chemistry","2025","27","9","2464","2470","10.1039/D4GC05355A","","","0.71073","MoKα","","0.0602","0.0458","","","0.1005","0.1108","","","","","","1.061","","","","has coordinates,has disorder","298965","2025-04-05","03:29:19",""
"7249812","11.2419","0.0004","12.3869","0.0005","13.4125","0.0006","90","","90","","90","","1867.72","0.13","170","","170","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C88 H96 N8 O12 -","4","1","","Zhu, Yu; Lv, Xueli; Hong, Jun; Wu, Shengxing; Li, Zhi; Wang, Minyan; Jiang, Xinpeng","Amine-promoted three-component cycloaddition of bicyclo[1.1.0]butanes with hydroxylamine and polyformaldehyde: expedient access to 2-oxa-3-azabicyclo[3.1.1]heptanes","Green Chemistry","2025","27","9","2464","2470","10.1039/D4GC05355A","","","1.34139","GaKα","","0.033","0.0305","","","0.0776","0.079","","","","","","1.064","","","","has coordinates,has disorder","298965","2025-04-05","03:29:19",""
"7249815","5.4192","0.0005","15.6201","0.0014","16.4094","0.0014","70.796","0.004","87.714","0.004","83.915","0.004","1304.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","2","","Zhang, Zhou-Tian-Le; Ren, Zhen; Su, Xiaoyu; Xie, Tian-Peng; Yi, Mengzhuo; Zhou, Hao; Yin, Min; Ding, Zhong-Tao","Genome mining of albocandins A–E from Streptomyces sp. YINM00030","RSC Advances","2025","15","3","1805","1812","10.1039/D4RA08447K","","","1.54178","CuKα","","0.1318","0.0849","","","0.233","0.2697","","","","","","1.093","","","","has coordinates","297406","2025-01-22","02:13:44",""
"7249816","6.1179","0.0004","8.0879","0.0006","27.871","0.002","90","","90","","90","","1379.08","0.17","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Zhang, Zhou-Tian-Le; Ren, Zhen; Su, Xiaoyu; Xie, Tian-Peng; Yi, Mengzhuo; Zhou, Hao; Yin, Min; Ding, Zhong-Tao","Genome mining of albocandins A–E from Streptomyces sp. YINM00030","RSC Advances","2025","15","3","1805","1812","10.1039/D4RA08447K","","x-ray","1.54178","CuKα","","0.0584","0.0558","","","0.1523","0.1556","","","","","","1.068","","","","has coordinates","297406","2025-01-22","02:13:44",""
"7249817","8.2266","0.0002","8.5847","0.0003","12.5866","0.0003","106.141","0.003","103.673","0.002","100.32","0.002","800.6","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","ethyl 2-amino-4-(furan-2-yl)-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carboxylate","","- C19 H16 N2 O5 -","- C19 H16 N2 O5 -","- C38 H32 N4 O10 -","2","1","","Aly, Ashraf A.; Abd El-Naby, Hisham A.; Ahmed, Essam Kh.; Gedamy, Sageda A.; Rissanen, Kari; Nieger, Martin; Brown, Alan B.; Shehat, Michael G.; Shaaban, Marwa M.; Atta, Amal","Microwave-assisted synthesis and in vitro and in silico studies of pyrano[3,2-c]quinoline-3-carboxylates as dual acting anti-cancer and anti-microbial agents and potential topoisomerase II and DNA-gyrase inhibitors","RSC Advances","2025","15","3","1941","1956","10.1039/D4RA06201A","","x-ray","1.54184","CuKα","","0.0428","0.0393","","","0.113","0.1155","","","","","","1.066","","","","has coordinates","297407","2025-01-22","02:14:05",""
"7249818","7.9731","0.0002","8.1795","0.0002","28.7599","0.0007","91.662","0.002","90.972","0.002","115.979","0.002","1684.46","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","ethyl 2-amino-4-(furan-2-yl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carboxylate","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C80 H72 N8 O20 -","4","2","","Aly, Ashraf A.; Abd El-Naby, Hisham A.; Ahmed, Essam Kh.; Gedamy, Sageda A.; Rissanen, Kari; Nieger, Martin; Brown, Alan B.; Shehat, Michael G.; Shaaban, Marwa M.; Atta, Amal","Microwave-assisted synthesis and in vitro and in silico studies of pyrano[3,2-c]quinoline-3-carboxylates as dual acting anti-cancer and anti-microbial agents and potential topoisomerase II and DNA-gyrase inhibitors","RSC Advances","2025","15","3","1941","1956","10.1039/D4RA06201A","","x-ray","1.54184","CuKα","","0.0584","0.0505","","","0.1357","0.1419","","","","","","1.061","","","","has coordinates,has disorder","297407","2025-01-22","02:14:06",""
"7249819","11.2667","0.0005","9.0284","0.0004","9.272","0.0004","90","","107.83","0.002","90","","897.85","0.07","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 O4 Zn -","- C9 H8 O4 Zn -","- C36 H32 O16 Zn4 -","4","1","","Alghamdi, Ahmed Mohammed A.; Cholikadam, Shakeeba; Fettouhi, Mohammed; Kalanthoden, Abdul Nasar; Jalilov, Almaz S.; Peedikakkal, Abdul Malik P.","Blue- and white-light emitting 2D metal–organic frameworks of cis-5-norbornene-endo-2,3-dicarboxylic acid","CrystEngComm","2025","27","7","913","920","10.1039/D4CE00985A","","","0.71073","MoKα","","0.0561","0.0443","","","0.1235","0.1313","","","","","","0.935","","","","has coordinates","298211","2025-03-04","19:50:26",""
"7249820","8.7725","0.0006","23.311","0.002","8.6198","0.0006","90","","90","","90","","1762.7","0.2","299","2","299","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C9 H8 O4 Pb -","- C9 H8 O4 Pb -","- C72 H64 O32 Pb8 -","8","1","","Alghamdi, Ahmed Mohammed A.; Cholikadam, Shakeeba; Fettouhi, Mohammed; Kalanthoden, Abdul Nasar; Jalilov, Almaz S.; Peedikakkal, Abdul Malik P.","Blue- and white-light emitting 2D metal–organic frameworks of cis-5-norbornene-endo-2,3-dicarboxylic acid","CrystEngComm","2025","27","7","913","920","10.1039/D4CE00985A","","","0.71073","MoKα","","0.0452","0.031","","","0.0715","0.0768","","","","","","0.942","","","","has coordinates","298211","2025-03-04","19:50:26",""
"7249821","14.9992","0.0002","9.5502","0.0001","20.3352","0.0002","90","","100.192","0.001","90","","2866.96","0.06","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Prop-2-yn-1-yl 7-chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C15 H11 Cl F N O3 -","- C15 H11 Cl F N O3 -","- C120 H88 Cl8 F8 N8 O24 -","8","1","","Patel, Upendra Kumar; Alka,; Tiwari, Punit; Tilak, Ragini; Joshi, Gaurav; Kumar, Roshan; Agarwal, Alka","1,2,3-Triazole-tethered fluoroquinolone analogues with antibacterial potential: synthesis and in vitro cytotoxicity investigations","RSC Advances","2025","15","3","1896","1914","10.1039/D4RA08643K","","","1.54184","CuKα","","0.0604","0.0559","","","0.1621","0.1666","","","","","","1.115","","","","has coordinates","297433","2025-01-23","02:17:13",""
"7249822","13.4786","0.0015","7.2734","0.001","24.637","0.003","90","","90","","90","","2415.3","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","","Cifuentes, Carlos; Bravo, Nestor; Restrepo, Daniel; Macías, Mario; Portilla, Jaime","Isomerization of pirazolopyrimidines to pyrazolopyridines by ring-opening/closing reaction in aqueous NaOH","RSC Advances","2025","15","3","2078","2085","10.1039/D4RA06345G","","","1.54184","CuKα","","0.0542","0.0467","","","0.1271","0.1352","","","","","","1.045","","","","has coordinates","297434","2025-01-23","02:17:42",""
"7249823","7.067","0.0007","23.637","0.003","11.1905","0.0012","90","","93.717","0.009","90","","1865.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl2 N3 O -","- C22 H15 Cl2 N3 O -","- C88 H60 Cl8 N12 O4 -","4","1","","Cifuentes, Carlos; Bravo, Nestor; Restrepo, Daniel; Macías, Mario; Portilla, Jaime","Isomerization of pirazolopyrimidines to pyrazolopyridines by ring-opening/closing reaction in aqueous NaOH","RSC Advances","2025","15","3","2078","2085","10.1039/D4RA06345G","","","1.54184","CuKα","","0.0533","0.0422","","","0.1128","0.1246","","","","","","1.03","","","","has coordinates","297434","2025-01-23","02:17:44",""
"7249824","6.916","0.0008","8.9551","0.0008","10.3411","0.0006","95.113","0.006","98.415","0.008","90.754","0.008","630.82","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C30 H26 N6 O2 -","2","1","","Cifuentes, Carlos; Bravo, Nestor; Restrepo, Daniel; Macías, Mario; Portilla, Jaime","Isomerization of pirazolopyrimidines to pyrazolopyridines by ring-opening/closing reaction in aqueous NaOH","RSC Advances","2025","15","3","2078","2085","10.1039/D4RA06345G","","","1.54184","CuKα","","0.0573","0.0496","","","0.1358","0.1429","","","","","","1.065","","","","has coordinates","297434","2025-01-23","02:17:44",""
"7249825","6.1624","0.0004","9.2368","0.0009","11.2678","0.0009","89.961","0.007","81.987","0.006","79.955","0.007","625.19","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cl N3 O -","- C14 H10 Cl N3 O -","- C28 H20 Cl2 N6 O2 -","2","1","","Cifuentes, Carlos; Bravo, Nestor; Restrepo, Daniel; Macías, Mario; Portilla, Jaime","Isomerization of pirazolopyrimidines to pyrazolopyridines by ring-opening/closing reaction in aqueous NaOH","RSC Advances","2025","15","3","2078","2085","10.1039/D4RA06345G","","","1.54184","CuKα","","0.0528","0.0469","","","0.1262","0.1327","","","","","","1.039","","","","has coordinates","297434","2025-01-23","02:17:45",""
"7249826","9.4465","0.0003","10.7769","0.0003","15.2702","0.0004","106.856","0.002","93.852","0.002","96.451","0.002","1470.2","0.08","169.99","0.1","170.15","","","","","","","","","7","P -1","-P 1","2","","","","- C8 H72 Co4 Mo8 N16 Na2 O55 -","- C8 H72 Co4 Mo8 N16 Na2 O55 -","- C8 H72 Co4 Mo8 N16 Na2 O55 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0368","0.034","","","0.0918","0.0934","","","","","","1.043","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249827","7.916","0.0002","12.5833","0.0003","15.4115","0.0003","108.216","0.002","94.54","0.002","103.045","0.002","1401.85","0.06","169.99","0.1","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H66 Co4 Mo8 N16 O51 -","- C8 H48 Co4 Mo8 N16 O51 -","- C8 H48 Co4 Mo8 N16 O51 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0568","0.051","","","0.1372","0.1429","","","","","","1.078","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249828","8.4824","0.0002","13.3673","0.0002","14.0305","0.0002","84.26","0.001","73.105","0.002","71.519","0.002","1443.65","0.05","169.98","0.1","169.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H62 Co4 Mo8 N16 O50 -","- C12 H62 Co4 Mo8 N16 O50 -","- C12 H62 Co4 Mo8 N16 O50 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","x-ray","1.54184","CuKα","","0.0328","0.0316","","","0.0902","0.0909","","","","","","1.075","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249829","27.0622","0.0003","7.3624","0.0001","33.9652","0.0004","90","","92.844","0.001","90","","6758.98","0.14","169.98","0.1","170.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C8 H34 Co2 Mo4 N8 O27 -","- C8 H28 Co2 Mo4 N8 O27 -","- C64 H224 Co16 Mo32 N64 O216 -","8","1","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0582","0.0468","","","0.122","0.1295","","","","","","1.038","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249830","9.9976","0.0001","20.6814","0.0003","13.4605","0.0002","90","","95.055","0.001","90","","2772.33","0.06","100.01","0.1","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H64 Co4 Mo8 N16 O50 -","- C8 H64 Co4 Mo8 N16 O50 -","- C16 H128 Co8 Mo16 N32 O100 -","2","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0575","0.0539","","","0.151","0.1542","","","","","","1.056","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249831","11.5178","0.0003","12.416","0.0003","12.619","0.0002","89.529","0.002","65.036","0.002","70.299","0.002","1521.1","0.07","169.98","0.1","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H76 Co4 Mo8 N16 O56 -","- C8 H52 Co4 Mo8 N16 O56 -","- C8 H52 Co4 Mo8 N16 O56 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0382","0.036","","","0.0951","0.0967","","","","","","1.031","","","","has coordinates,has disorder","298180","2025-03-04","19:40:55",""
"7249832","11.7837","0.0003","12.5652","0.0002","20.6823","0.0004","91.864","0.001","101.574","0.002","99.735","0.002","2949.84","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H124 Co8 Mo16 N32 O98 -","- C16 H100 Co8 Mo16 N32 O97.9998 -","- C16 H100 Co8 Mo16 N32 O97.9998 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","x-ray","1.54184","CuKα","","0.0598","0.0541","","","0.1481","0.1527","","","","","","1.03","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249833","12.1225","0.0002","13.4878","0.0002","14.4274","0.0002","92.943","0.001","97.909","0.001","91.012","0.001","2332.71","0.06","169.99","0.1","169.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C6 H24 Co Mo2 N6 Na3 O45 V7 -","- C6 H24 Co Mo2 N6 Na3 O45 V7 -","- C12 H48 Co2 Mo4 N12 Na6 O90 V14 -","2","1","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","x-ray","1.54184","CuKα","","0.0792","0.0751","","","0.217","0.2225","","","","","","1.058","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249834","13.2251","0.0003","15.9667","0.0003","16.2567","0.0005","86.364","0.002","81.442","0.002","88.936","0.002","3387.58","0.15","170","0.11","170","0.11","","","","","","","","8","P -1","-P 1","2","","","","- C6 H42 Co3 Mo8 N12 Na2 O61.52 V5 -","- C6 H42 Co3 Mo8 N12 Na2 O61.52 V5 -","- C12 H84 Co6 Mo16 N24 Na4 O123.04 V10 -","2","1","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","x-ray","1.54184","CuKα","","0.1045","0.0951","","","0.2536","0.2638","","","","","","1.048","","","","has coordinates,has disorder","298180","2025-03-04","19:40:56",""
"7249835","8.115","0.0008","9.1085","0.0009","14.5497","0.0014","74.156","0.003","88.19","0.003","72.032","0.003","982.5","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H5 N O2 -","- C5 H5 N O2 -","- C40 H40 N8 O16 -","8","4","","Qi, Ying; Liu, Yang; Li, Xia; Xu, Juan; Zhang, Qi","Innovative aminoglutethimide co-crystals: synthesis, characterization, and insights into molecular interactions","CrystEngComm","2025","27","8","1146","1156","10.1039/D4CE01171F","","","0.71073","MoKα","","0.0837","0.0647","","","0.1826","0.1951","","","","","","1.042","","","","has coordinates","298179","2025-03-04","19:40:34",""
"7249836","7.1215","0.0006","13.7391","0.0012","21.469","0.0019","76.347","0.003","85.043","0.003","87.487","0.003","2033","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H42 N6 O12 -","- C40 H42 N6 O12 -","- C80 H84 N12 O24 -","2","1","","Qi, Ying; Liu, Yang; Li, Xia; Xu, Juan; Zhang, Qi","Innovative aminoglutethimide co-crystals: synthesis, characterization, and insights into molecular interactions","CrystEngComm","2025","27","8","1146","1156","10.1039/D4CE01171F","","","0.71073","MoKα","","0.0964","0.0847","","","0.2458","0.2587","","","","","","1.054","","","","has coordinates","298179","2025-03-04","19:40:34",""
"7249837","16.904","0.005","6.4769","0.0017","17.825","0.005","90","","101.367","0.008","90","","1913.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","","Qi, Ying; Liu, Yang; Li, Xia; Xu, Juan; Zhang, Qi","Innovative aminoglutethimide co-crystals: synthesis, characterization, and insights into molecular interactions","CrystEngComm","2025","27","8","1146","1156","10.1039/D4CE01171F","","","0.71073","MoKα","","0.1333","0.0835","","","0.2188","0.2499","","","","","","1.07","","","","has coordinates","298179","2025-03-04","19:40:34",""
"7249838","12.1844","0.0003","15.7973","0.0005","18.7868","0.0008","67.618","0.003","81.84","0.003","83.948","0.002","3304.6","0.2","150","2","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C36 H31 N Ni O P2 S2 -","- C36 H31 N Ni O P2 S2 -","- C144 H124 N4 Ni4 O4 P8 S8 -","4","2","","Srivastava, Devyani; Kushwaha, Aparna; Chauhan, Ratna; Gosavi, Suresh W.; Ahmed, Sarfaraz; Kociok-Köhn, Gabriele; Kumar, Abhinav","Unravelling the role of –OCH3 positional isomerism and dihedral angle in Ni(ii)-dppe dithiolates for enhanced heterogeneous electrocatalytic oxygen evolution reaction (OER)","CrystEngComm","2025","27","10","1460","1473","10.1039/D4CE01268B","","x-ray","1.54184","CuKα","","0.0479","0.0385","","","0.096","0.1017","","","","","","1.032","","","","has coordinates","298228","2025-03-04","19:56:19",""
"7249839","14.8719","0.0004","15.3304","0.0004","16.0822","0.0006","77.953","0.002","82.524","0.003","75.348","0.002","3457.65","0.19","150","2","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C36.3 H31.6 Cl0.6 N Ni O P2 S2 -","- C36.3 H31.6 Cl0.6 N Ni O P2 S2 -","- C145.2 H126.4 Cl2.4 N4 Ni4 O4 P8 S8 -","4","2","","Srivastava, Devyani; Kushwaha, Aparna; Chauhan, Ratna; Gosavi, Suresh W.; Ahmed, Sarfaraz; Kociok-Köhn, Gabriele; Kumar, Abhinav","Unravelling the role of –OCH3 positional isomerism and dihedral angle in Ni(ii)-dppe dithiolates for enhanced heterogeneous electrocatalytic oxygen evolution reaction (OER)","CrystEngComm","2025","27","10","1460","1473","10.1039/D4CE01268B","","x-ray","1.54184","CuKα","","0.0621","0.0505","","","0.1331","0.1425","","","","","","1.059","","","","has coordinates,has disorder","298228","2025-03-04","19:56:20",""
"7249840","15.187","0.0004","15.6264","0.0006","15.9554","0.0005","76.974","0.003","89.738","0.002","81.37","0.003","3645.6","0.2","150","2","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C37 H32 Cl3 N Ni O P2 S2 -","- C37 H32 Cl3 N Ni O P2 S2 -","- C148 H128 Cl12 N4 Ni4 O4 P8 S8 -","4","2","","Srivastava, Devyani; Kushwaha, Aparna; Chauhan, Ratna; Gosavi, Suresh W.; Ahmed, Sarfaraz; Kociok-Köhn, Gabriele; Kumar, Abhinav","Unravelling the role of –OCH3 positional isomerism and dihedral angle in Ni(ii)-dppe dithiolates for enhanced heterogeneous electrocatalytic oxygen evolution reaction (OER)","CrystEngComm","2025","27","10","1460","1473","10.1039/D4CE01268B","","x-ray","1.54184","CuKα","","0.0677","0.0547","","","0.1387","0.1474","","","","","","1.053","","","","has coordinates,has disorder","298228","2025-03-04","19:56:21",""
"7249841","23.119","0.002","15.1711","0.0012","16.9715","0.0015","90","","90","","90","","5952.6","0.9","296.15","","296.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H16 Cu2 I3 N4 S4 -","- C24 H16 Cu2 I3 N4 S4 -","- C192 H128 Cu16 I24 N32 S32 -","8","1","","Li, Huifang; Gao, Yiqun; Lin, Xi; Li, Ke; Lin, Xiaoli; Li, Haohong; Zheng, Huidong","Ternary resistive switching memory of copper–organic complex/iodocuprate/sulfur hybrid enabled by π–π interactions and S8 relaxation","CrystEngComm","2025","27","10","1439","1445","10.1039/D4CE01147C","","","0.71073","MoKα","","0.0681","0.0443","","","0.1565","0.198","","","","","","0.677","","","","has coordinates","298229","2025-03-04","19:56:34",""
"7249842","12.0459","0.0009","16.7225","0.0013","20.5508","0.0015","111.534","0.002","91.936","0.002","102.731","0.002","3726","0.5","192.8","","192.8","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H47 Cu F30 Gd N8 O16 -","- C59 H47 Cu F30 Gd N8 O16 -","- C118 H94 Cu2 F60 Gd2 N16 O32 -","2","1","","Chu, Jiamin; Liu, Yi; Li, Jing; Zhu, Mei","Structure, magnetic properties and fluorescence selectivity of 1D chain complexes based on the pyrazolyl nitronyl nitroxide radical","CrystEngComm","2025","27","11","1583","1590","10.1039/D4CE01113A","","","0.71073","MoKα","","0.0949","0.0653","","","0.1549","0.1779","","","","","","1.04","","","","has coordinates,has disorder","298857","2025-04-05","02:39:58",""
"7249843","12.0447","0.0007","16.704","0.001","20.5482","0.0013","111.44","0.003","92.035","0.004","102.735","0.004","3722.6","0.4","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H47 Cu Dy F30 N8 O16 -","- C59 H47 Cu Dy F30 N8 O16 -","- C118 H94 Cu2 Dy2 F60 N16 O32 -","2","1","","Chu, Jiamin; Liu, Yi; Li, Jing; Zhu, Mei","Structure, magnetic properties and fluorescence selectivity of 1D chain complexes based on the pyrazolyl nitronyl nitroxide radical","CrystEngComm","2025","27","11","1583","1590","10.1039/D4CE01113A","","","1.54184","CuKα","","0.117","0.1011","","","0.2526","0.2738","","","","","","1.071","","","","has coordinates,has disorder","298857","2025-04-05","02:39:58",""
"7249844","11.996","0.0006","16.6031","0.0007","20.3772","0.001","110.962","0.004","92.013","0.004","102.791","0.004","3666.6","0.3","100","0.1","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H47 Cu F30 N8 O16 Tb -","- C59 H47 Cu F30 N8 O16 Tb -","- C118 H94 Cu2 F60 N16 O32 Tb2 -","2","1","","Chu, Jiamin; Liu, Yi; Li, Jing; Zhu, Mei","Structure, magnetic properties and fluorescence selectivity of 1D chain complexes based on the pyrazolyl nitronyl nitroxide radical","CrystEngComm","2025","27","11","1583","1590","10.1039/D4CE01113A","","","0.71073","MoKα","","0.1262","0.1082","","","0.2632","0.2758","","","","","","1.105","","","","has coordinates,has disorder","298857","2025-04-05","02:39:58",""
"7249845","11.8122","0.0008","7.2145","0.0005","13.9551","0.0011","90","","101.598","0.003","90","","1164.96","0.15","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 N11 O6 -","- C5 H7 N11 O6 -","- C20 H28 N44 O24 -","4","1","","Cai, Jinxiong; Xia, Yingqi; Zhang, Hui; Su, Dongshuai; Lai, Qi; Yin, Ping; Pang, Siping","Dinitramide salts based on nitropyrazole-diaminotriazole hybrid: novel ionic energetic materials with high-energy and low-sensitivity.","Physical chemistry chemical physics : PCCP","2025","","","","","10.1039/d4cp03051f","","","0.71073","MoKα","","0.0947","0.0536","","","0.1338","0.17","","","","","","1.013","","","","has coordinates","297497","2025-01-28","01:58:51",""
"7249846","6.3223","0.0008","7.5001","0.0009","13.1977","0.0016","87.878","0.004","83.997","0.005","71.712","0.005","590.93","0.13","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H12 N8 O3 S -","- C7 H12 N8 O3 S -","- C14 H24 N16 O6 S2 -","2","1","","Cai, Jinxiong; Xia, Yingqi; Zhang, Hui; Su, Dongshuai; Lai, Qi; Yin, Ping; Pang, Siping","Dinitramide salts based on nitropyrazole-diaminotriazole hybrid: novel ionic energetic materials with high-energy and low-sensitivity.","Physical chemistry chemical physics : PCCP","2025","","","","","10.1039/d4cp03051f","","","1.34139","GaKα","","0.0523","0.044","","","0.1191","0.1248","","","","","","1.103","","","","has coordinates","297497","2025-01-28","01:58:53",""
"7249847","10.562","0.004","10.716","0.004","10.676","0.004","90","","113.385","0.004","90","","1109.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 Cl N8 O6 -","- C5 H7 Cl N8 O6 -","- C20 H28 Cl4 N32 O24 -","4","1","","Cai, Jinxiong; Xia, Yingqi; Zhang, Hui; Su, Dongshuai; Lai, Qi; Yin, Ping; Pang, Siping","Dinitramide salts based on nitropyrazole-diaminotriazole hybrid: novel ionic energetic materials with high-energy and low-sensitivity.","Physical chemistry chemical physics : PCCP","2025","","","","","10.1039/d4cp03051f","","","0.71073","MoKα","","0.0593","0.0522","","","0.1982","0.2102","","","","","","1.098","","","","has coordinates","297497","2025-01-28","01:58:53",""
"7249848","6.4651","0.0006","7.921","0.0008","11.0538","0.001","87.914","0.002","85.143","0.002","83.423","0.002","560.12","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H7 Cl N8 O6 -","- C5 H7 Cl N8 O6 -","- C10 H14 Cl2 N16 O12 -","2","1","","Cai, Jinxiong; Xia, Yingqi; Zhang, Hui; Su, Dongshuai; Lai, Qi; Yin, Ping; Pang, Siping","Dinitramide salts based on nitropyrazole-diaminotriazole hybrid: novel ionic energetic materials with high-energy and low-sensitivity.","Physical chemistry chemical physics : PCCP","2025","","","","","10.1039/d4cp03051f","","","0.71073","MoKα","","0.0945","0.0506","","","0.0922","0.111","","","","","","1.065","","","","has coordinates","297497","2025-01-28","01:58:53",""
"7249849","6.8428","0.0006","7.1911","0.0006","12.0118","0.0009","90.107","0.003","101.634","0.003","92.125","0.003","578.5","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H7 N11 O6 -","- C5 H7 N11 O6 -","- C10 H14 N22 O12 -","2","1","","Cai, Jinxiong; Xia, Yingqi; Zhang, Hui; Su, Dongshuai; Lai, Qi; Yin, Ping; Pang, Siping","Dinitramide salts based on nitropyrazole-diaminotriazole hybrid: novel ionic energetic materials with high-energy and low-sensitivity.","Physical chemistry chemical physics : PCCP","2025","","","","","10.1039/d4cp03051f","","","0.71073","MoKα","","0.0848","0.0497","","","0.1028","0.1217","","","","","","1.06","","","","has coordinates","297497","2025-01-28","01:58:54",""
"7249850","4.8019","0.0006","8.3731","0.0009","9.5127","0.0015","76.71","0.02","80.38","0.02","86.6","0.02","366.91","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H18 N3 O10 P -","- C9 H18 N3 O10 P -","- C9 H18 N3 O10 P -","1","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0275","0.0272","","","0.0743","0.0747","","","","","","1.062","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249851","4.7963","0.0008","8.247","0.003","9.04","0.003","70.65","0.02","86.7","0.03","84.89","0.02","335.89","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H16 N3 O9 P -","- C9 H16 N3 O9 P -","- C9 H16 N3 O9 P -","1","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.1183","0.098","","","0.2717","0.2852","","","","","","1.166","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249852","8.338","0.002","31.318","0.007","4.8912","0.001","90","","90","","90","","1277.2","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N3 O8 P -","- C9 H14 N3 O8 P -","- C36 H56 N12 O32 P4 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.1215","0.1197","","","0.3168","0.3178","","","","","","1.102","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249853","8.4629","0.0016","35.212","0.007","4.8658","0.0008","90","","90","","90","","1450","0.5","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H17 N3 O9.5 P -","- C9 H17 N3 O9.5 P -","- C36 H68 N12 O38 P4 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0434","0.0422","","","0.1024","0.1029","","","","","","1.094","","","","has coordinates,has disorder","298181","2025-03-04","19:41:11",""
"7249854","4.7896","0.0008","8.1312","0.0014","8.4477","0.0012","76.85","0.02","79.75","0.02","83.99","0.02","314.55","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H14 N3 O8 P -","- C9 H14 N3 O8 P -","- C9 H14 N3 O8 P -","1","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0493","0.0485","","","0.1358","0.1371","","","","","","1.1","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249855","4.843","0.004","8.646","0.008","15.726","0.002","90","","93.68","0.01","90","","657.1","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H14 N3 O8 P -","- C9 H14 N3 O8 P -","- C18 H28 N6 O16 P2 -","2","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","0.0251","transmissionelectronmicroscope","","0.1547","0.1322","","","0.3358","0.3497","","","","","","1.146","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249856","8.367","0.002","34.158","0.007","4.8236","0.0009","90","","90","","90","","1378.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 N3 O9 P -","- C9 H16 N3 O9 P -","- C36 H64 N12 O36 P4 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.076","0.0748","","","0.2101","0.2112","","","","","","1.118","","","","has coordinates,has disorder","298181","2025-03-04","19:41:11",""
"7249857","4.7974","0.0008","8.2932","0.001","16.861","0.003","101.48","0.02","92.04","0.02","95.55","0.02","653.29","0.19","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H15 N3 O8.5 P -","- C9 H15 N3 O8.5 P -","- C18 H30 N6 O17 P2 -","2","2","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0807","0.0743","","","0.2016","0.2059","","","","","","1.063","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249858","8.422","0.0014","35.163","0.006","9.693","0.002","90","","90","","90","","2870.5","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 N3 O9.5 P -","- C9 H17 N3 O9.5 P -","- C72 H136 N24 O76 P8 -","8","2","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0501","0.0464","","","0.1433","0.1457","","","","","","1.15","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249859","22.1729","0.0009","8.4424","0.0004","17.3538","0.0006","90","","112.963","0.002","90","","2991.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26.2 N4 O12.1 Zn2 -","- C30 H24 N4 O11 Zn2 -","- C120 H96 N16 O44 Zn8 -","4","1","","Guo, Yanhui; Zhu, Jiayi; Dai, Yumei; Chen, Long; Li, Weibing; Yuan, Zihang; Zhou, Jie; Tang, En","A cost-effective and innovative detector for iron ions.","RSC advances","2025","15","4","2645","2650","10.1039/d4ra08065c","","x-ray","0.71073","MoKα","","0.0487","0.0359","","","0.0673","0.0725","","","","","","0.988","","","","has coordinates","297516","2025-01-29","02:36:18",""
"7249860","9.917","0.002","13.467","0.003","16.34","0.003","90","","90","","90","","2182.2","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Cl2 N O3 -","- C25 H17 Cl2 N O3 -","- C100 H68 Cl8 N4 O12 -","4","1","","Farajpour, Behnaz; Kakaie, Marzie; Hussain, Faiq H. S.; Rakaee, Fataneh; Moradkhani, Fatemeh; Shiri, Morteza","One-pot reaction of 3-vinylchromones, aromatic aldehydes, and ammonium acetate: an efficient approach to highly functionalized 1,6-dihydropyridine derivatives.","RSC advances","2025","15","4","2602","2607","10.1039/d4ra07863b","","","0.71073","MoKα","","0.2185","0.0949","","","0.1749","0.2141","","","","","","0.931","","","","has coordinates","297517","2025-01-29","02:36:34",""
"7249861","9.894","0.002","13.487","0.003","16.351","0.003","90","","90","","90","","2181.9","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Cl2 N O3 -","- C25 H17 Cl2 N O3 -","- C100 H68 Cl8 N4 O12 -","4","1","","Farajpour, Behnaz; Kakaie, Marzie; Hussain, Faiq H. S.; Rakaee, Fataneh; Moradkhani, Fatemeh; Shiri, Morteza","One-pot reaction of 3-vinylchromones, aromatic aldehydes, and ammonium acetate: an efficient approach to highly functionalized 1,6-dihydropyridine derivatives.","RSC advances","2025","15","4","2602","2607","10.1039/d4ra07863b","","","0.71073","MoKα","","0.1942","0.0862","","","0.1567","0.1889","","","","","","0.942","","","","has coordinates","297517","2025-01-29","02:36:35",""
"7249862","12.003","0.002","11.347","0.002","10.802","0.002","90","","101.75","0.03","90","","1440.4","0.5","221","2","221","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.08","0.0522","","","0.1343","0.1503","","","","","","1.047","","","","has coordinates","298172","2025-03-04","19:37:59",""
"7249863","12.004","0.002","11.352","0.002","10.797","0.002","90","","101.7","0.03","90","","1440.7","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.0592","0.0462","","","0.1213","0.1303","","","","","","1.048","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249864","12.008","0.002","11.352","0.002","10.791","0.002","90","","101.7","0.03","90","","1440.4","0.5","221","2","221","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.054","0.0441","","","0.1151","0.1215","","","","","","1.066","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249865","12.012","0.002","11.349","0.002","10.792","0.002","90","","101.68","0.03","90","","1440.7","0.5","221","2","221","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.0624","0.0509","","","0.1298","0.137","","","","","","1.071","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249866","12.075","0.002","11.371","0.002","10.787","0.002","90","","101.73","0.03","90","","1450.2","0.5","221","2","221","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.0831","0.0656","","","0.1714","0.1841","","","","","","1.058","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249867","12.005","0.002","11.349","0.002","10.792","0.002","90","","101.71","0.03","90","","1439.8","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.0518","0.0447","","","0.1185","0.1243","","","","","","1.048","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249868","12.006","0.002","11.351","0.002","10.793","0.002","90","","101.67","0.03","90","","1440.5","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.075","0.0518","","","0.1375","0.1496","","","","","","1.083","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249869","28.644","0.006","7.1941","0.0014","23.764","0.005","90","","113.655","0.004","90","","4485.5","1.6","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Cu O5 en lv so t -","- C27 H18 Cu O5 -","- C216 H144 Cu8 O40 -","8","1","","Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie","Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities","CrystEngComm","2025","27","8","1206","1213","10.1039/D4CE01201A","","","0.71073","MoKα","","0.071","0.0619","","","0.1446","0.1529","","","","","","1.101","","","","has coordinates","298183","2025-03-04","19:41:59",""
"7249870","23.673","0.004","18.677","0.004","17.763","0.004","90","","90","","90","","7854","3","173","2","173","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C27 H18 O5 Zn en lv so t -","- C27 H18 O5 Zn -","- C216 H144 O40 Zn8 -","8","0.5","","Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie","Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities","CrystEngComm","2025","27","8","1206","1213","10.1039/D4CE01201A","","","0.71073","MoKα","","0.1622","0.0932","","","0.261","0.301","","","","","","1.021","","","","has coordinates","298183","2025-03-04","19:42:01",""
"7249871","25.5168","0.0006","25.5168","0.0006","20.8378","0.0007","90","","90","","120","","11749.9","0.6","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C180 H142 N6 O32 Zn7 -","- C180 H138 N6 O32 Zn7.0002 -","- C540 H414 N18 O96 Zn21.0006 -","3","0.166667","","Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie","Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities","CrystEngComm","2025","27","8","1206","1213","10.1039/D4CE01201A","","","0.71073","MoKα","","0.0767","0.0544","","","0.1401","0.1588","","","","","","1.019","","","","has coordinates","298183","2025-03-04","19:42:10",""
"7249872","23.4998","0.0008","18.6597","0.0006","17.5655","0.0006","90","","90","","90","","7702.5","0.4","120","2","120","2","","","","","","","","9","C m c e","-C 2ac 2","64","","","","- C30 H23 Cu N O5 en lv so t -","- C30 H23 Cu N O5 -","- C240 H184 Cu8 N8 O40 -","8","0.5","","Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie","Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities","CrystEngComm","2025","27","8","1206","1213","10.1039/D4CE01201A","","","0.71073","MoKα","","0.0631","0.0464","","","0.1285","0.14","","","","","","1.046","","","","has coordinates,has disorder","298183","2025-03-04","19:42:10",""
"7249873","33.209","0.002","33.209","0.002","8.3584","0.0009","90","","90","","120","","7983","1.1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H15 Cd N O6 -","- C19 H15 Cd N O6 -","- C342 H270 Cd18 N18 O108 -","18","1","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.1223","0.0631","","","0.1022","0.126","","","","","","1.002","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249874","12.5813","0.0012","9.8659","0.0012","14.7378","0.0013","90","","90","","90","","1829.3","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.0895","0.0532","","","0.1205","0.1413","","","","","","0.999","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249875","16.1979","0.0007","22.8193","0.0008","11.8386","0.0005","90","","100.545","0.004","90","","4301.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C200 H168 N8 O32 -","8","2","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.1018","0.0593","","","0.1449","0.177","","","","","","1.016","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249876","12.1419","0.0011","8.5142","0.0007","16.4832","0.001","90","","96.129","0.007","90","","1694.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cd N2 O10 -","- C36 H32 Cd N2 O10 -","- C72 H64 Cd2 N4 O20 -","2","0.5","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.0586","0.0422","","","0.0993","0.109","","","","","","1.079","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249877","17.4412","0.0005","14.5878","0.0004","17.9857","0.0005","90","","107.952","0.003","90","","4353.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cd N2 O10 -","- C50 H44 Cd N2 O10 -","- C200 H176 Cd4 N8 O40 -","4","1","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.0658","0.0446","","","0.0881","0.0956","","","","","","1.021","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249878","16.4124","0.0011","17.2304","0.0015","28.2016","0.0019","90","","92.706","0.006","90","","7966.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83 H79 Cd2 N5 O17 -","- C83 H79 Cd2 N5 O17 -","- C332 H316 Cd8 N20 O68 -","4","1","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.1124","0.0713","","","0.1607","0.1865","","","","","","1.025","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249879","16.6697","0.0003","14.6638","0.0003","19.3585","0.0004","90","","97.241","0.002","90","","4694.27","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 Br2 Co2 N4 O11 -","- C44 H38 Br2 Co2 N4 O11 -","- C176 H152 Br8 Co8 N16 O44 -","4","0.5","","Chen, Xiang-Yu; Hu, Zi-Ang; Qu, Yan; Ning, Ru-Jin; Tao, Wen-Da; He, Shou-Qin; Liu, Zhi-Fu; Shen, Yong-Hui; Qin, Ling","The optimization of hydrogen evolution performance by removing guest molecules in Co-MOF","CrystEngComm","2025","27","11","1591","1598","10.1039/D5CE00014A","","","1.54178","CuKα","","0.0806","0.0619","","","0.1653","0.182","","","","","","0.847","","","","has coordinates","298859","2025-04-05","02:40:33",""
"7249880","6.9964","0.0006","8.4138","0.0008","17.0464","0.0018","86.124","0.008","89.703","0.008","73.686","0.008","960.75","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Br N2 O P -","- C20 H18 Br N2 O P -","- C40 H36 Br2 N4 O2 P2 -","2","1","","Mukherjee, Debojyoti; Karmakar, Indrajit; Brahmachari, Goutam","Sono- and mechanochemical dual syntheses of bio-relevant aryldiazenyl-substituted phosphine oxides/phosphonates via P(O)–H functionalisation","Green Chemistry","2025","27","9","2565","2577","10.1039/D4GC05501B","","x-ray","1.54184","CuKα","","0.1093","0.0761","","","0.2226","0.2541","","","","","","1.148","","","","has coordinates","298964","2025-04-05","03:28:52",""
"7249881","9.4927","0.0007","10.3632","0.0007","11.6644","0.0006","83.912","0.005","69.508","0.005","81.211","0.006","1060.54","0.12","206","30","206","30","","","","","","","","5","P -1","-P 1","2","","","","- C3.33 H2.8 Cl0.13 N0.27 O0.13 -","- C3.33333 H2.8 Cl0.133333 N0.266667 O0.133333 -","- C50 H42 Cl2 N4 O2 -","15","7.5","","Mishra, Rudra Narayan; Ahemad, Mohammed Ansar; Panda, Jasmine; Nayak, Sabita; Mohapatra, Seetaram; Sahoo, Chita Ranjan","Ligand-free palladium-catalyzed synthesis of 3-(2,2-dialkyl-2<i>H</i>-chromen-4-yl)-2-phenylimidazo[1,2-<i>a</i>]pyridine derivatives: molecular docking investigation of their potential as DNA gyrase inhibitors and evaluation of their antibacterial activities.","RSC advances","2025","15","4","2930","2946","10.1039/d4ra09092f","","x-ray","1.54184","CuKα","","0.0515","0.0433","","","0.1275","0.1313","","","","","","1.075","","","","has coordinates","297560","2025-02-01","02:21:28",""
"7249882","26.8681","0.0004","9.3502","0.0002","33.4362","0.0005","90","","96.671","0.001","90","","8343","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 Br2 O4 -","- C21 H20 Br2 O4 -","- C336 H320 Br32 O64 -","16","2","","Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang","A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol","CrystEngComm","2025","27","11","1560","1567","10.1039/D5CE00044K","","x-ray","1.54178","CuKα","","0.0618","0.055","","","0.1427","0.1539","","","","","","1.058","","","","has coordinates,has disorder","298864","2025-04-05","02:42:04",""
"7249883","11.4955","0.0003","12.1086","0.0003","12.9827","0.0003","110.33","0.002","91.122","0.002","104.67","0.002","1627.74","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cd N4 O7 -","- C33 H30 Cd N4 O7 -","- C66 H60 Cd2 N8 O14 -","2","1","","Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang","A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol","CrystEngComm","2025","27","11","1560","1567","10.1039/D5CE00044K","","x-ray","1.54178","CuKα","","0.0514","0.049","","","0.1352","0.1385","","","","","","1.013","","","","has coordinates","298864","2025-04-05","02:42:04",""
"7249884","12.071","0.006","10.485","0.005","12.181","0.006","90","","118.789","0.009","90","","1351.1","1.2","297.15","","297.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C33 H26 N4 O4 -","- C33 H26 N4 O4 -","- C66 H52 N8 O8 -","2","1","","Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang","A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol","CrystEngComm","2025","27","11","1560","1567","10.1039/D5CE00044K","","","0.71073","MoKα","","0.1149","0.0622","","","0.1269","0.1511","","","","","","1.012","","","","has coordinates","298864","2025-04-05","02:42:04",""
"7249885","11.2015","0.0015","11.4714","0.0016","12.5314","0.0017","72.283","0.002","76.741","0.002","65.449","0.002","1385.3","0.3","297","2","297.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 N4 O5 Pb -","- C33 H26 N4 O5 Pb -","- C66 H52 N8 O10 Pb2 -","2","1","","Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang","A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol","CrystEngComm","2025","27","11","1560","1567","10.1039/D5CE00044K","","","0.71073","MoKα","","0.0606","0.0387","","","0.0757","0.0829","","","","","","1.025","","","","has coordinates,has disorder","298864","2025-04-05","02:42:04",""
"7249886","11.2426","0.0001","11.2426","0.0001","11.2426","0.0001","90","","90","","90","","1421.02","0.02","292.9","0.3","292.9","","","","","","","","","5","P n -3 n :1","P 4 2 3 -1n","222","","","","- F0 La4.178 Mo3 Na0.822 O16.049 -","- La4.174 Mo3 Na0.826 O16.045 -","- La16.696 Mo12 Na3.304 O64.18 -","4","0.0833333","","Antipin, Alexander M.; Orlova, Ekaterina I.; Smirnova, Ekaterina S.; Trukhacheva, Maria P.; Sorokin, Timofei A.; Sidorova, Ekaterina V.; Kharitonova, Elena P.; Lyskov, Nikolay V.; Novikova, Natalia E.; Yapaskurt, Vasiliy O.; Sorokina, Natalia I.; Alekseeva, Olga A.; Voronkova, Valentina I.","Structural features of sodium- and halogen-containing fluorite-like rare-earth molybdates.","Physical chemistry chemical physics : PCCP","2025","","","","","10.1039/d4cp03982c","","x-ray","0.71073","MoKα","","0.0256","0.0217","","","0.0798","0.0858","","","","1","1","1.02","","","","has coordinates","297585","2025-02-04","01:54:46",""
"7249887","11.2895","0.0011","11.2895","0.0011","11.2895","0.0011","90","","90","","90","","1438.9","0.2","600","0.14","600","","","","","","","","","6","P n -3 n :1","P 4 2 3 -1n","222","","","","- Cl0.652 F0 La4.192 Mo3 Na0.808 O15.288 -","- Cl0.65125 La4.1922 Mo3 Na0.8078 O15.2884 -","- Cl2.605 La16.7688 Mo12 Na3.2312 O61.1536 -","4","0.0833333","","Antipin, Alexander M.; Orlova, Ekaterina I.; Smirnova, Ekaterina S.; Trukhacheva, Maria P.; Sorokin, Timofei A.; Sidorova, Ekaterina V.; Kharitonova, Elena P.; Lyskov, Nikolay V.; Novikova, Natalia E.; Yapaskurt, Vasiliy O.; Sorokina, Natalia I.; Alekseeva, Olga A.; Voronkova, Valentina I.","Structural features of sodium- and halogen-containing fluorite-like rare-earth molybdates.","Physical chemistry chemical physics : PCCP","2025","","","","","10.1039/d4cp03982c","","x-ray","0.71073","MoKα","","0.0295","0.0249","","","0.1449","0.1678","","","","1.3901","1.3901","1.4425","","","","has coordinates","297585","2025-02-04","01:54:47",""
"7249888","11.2496","0.0011","11.2496","0.0011","11.2496","0.0011","90","","90","","90","","1423.7","0.2","293","","293","","","","","","","","","6","P n -3 n :1","P 4 2 3 -1n","222","","","","- Cl0.675 F0 La4.192 Mo3 Na0.808 O15.372 -","- Cl0.675 La4.1922 Mo3 Na0.8078 O15.3724 -","- Cl2.7 La16.7688 Mo12 Na3.2312 O61.4896 -","4","0.0833333","","Antipin, Alexander M.; Orlova, Ekaterina I.; Smirnova, Ekaterina S.; Trukhacheva, Maria P.; Sorokin, Timofei A.; Sidorova, Ekaterina V.; Kharitonova, Elena P.; Lyskov, Nikolay V.; Novikova, Natalia E.; Yapaskurt, Vasiliy O.; Sorokina, Natalia I.; Alekseeva, Olga A.; Voronkova, Valentina I.","Structural features of sodium- and halogen-containing fluorite-like rare-earth molybdates.","Physical chemistry chemical physics : PCCP","2025","","","","","10.1039/d4cp03982c","","x-ray","0.71073","MoKα","","0.0295","0.0275","","","0.1704","0.1779","","","","1.6159","1.6159","1.5971","","","","has coordinates","297585","2025-02-04","01:54:48",""
"7249889","11.2466","0.0011","11.2466","0.0011","11.2466","0.0011","90","","90","","90","","1422.5","0.2","293","","293","","","","","","","","","5","P n -3 n :1","P 4 2 3 -1n","222","","","","- Cl0 La4.2 Mo3 Na0.8 O15.981 -","- La4.1922 Mo3 Na0.8078 O16 -","- La16.7688 Mo12 Na3.2312 O64 -","4","0.0833333","","Antipin, Alexander M.; Orlova, Ekaterina I.; Smirnova, Ekaterina S.; Trukhacheva, Maria P.; Sorokin, Timofei A.; Sidorova, Ekaterina V.; Kharitonova, Elena P.; Lyskov, Nikolay V.; Novikova, Natalia E.; Yapaskurt, Vasiliy O.; Sorokina, Natalia I.; Alekseeva, Olga A.; Voronkova, Valentina I.","Structural features of sodium- and halogen-containing fluorite-like rare-earth molybdates.","Physical chemistry chemical physics : PCCP","2025","","","","","10.1039/d4cp03982c","","x-ray","0.71073","MoKα","","0.0251","0.0217","","","0.1288","0.1518","","","","1.2414","1.2414","1.3468","","","","has coordinates","297585","2025-02-04","01:54:48",""
"7249890","11.349","0.0011","11.349","0.0011","11.349","0.0011","90","","90","","90","","1461.7","0.2","1050","0.14","1050","","","","","","","","","5","P n -3 n :1","P 4 2 3 -1n","222","","","","- Cl0 La4.218 Mo3 Na0.782 O15.36 -","- Cl0.1152 La4.1922 Mo3 Na0.8078 O15.8848 -","- Cl0.4608 La16.7688 Mo12 Na3.2312 O63.5392 -","4","0.0833333","","Antipin, Alexander M.; Orlova, Ekaterina I.; Smirnova, Ekaterina S.; Trukhacheva, Maria P.; Sorokin, Timofei A.; Sidorova, Ekaterina V.; Kharitonova, Elena P.; Lyskov, Nikolay V.; Novikova, Natalia E.; Yapaskurt, Vasiliy O.; Sorokina, Natalia I.; Alekseeva, Olga A.; Voronkova, Valentina I.","Structural features of sodium- and halogen-containing fluorite-like rare-earth molybdates.","Physical chemistry chemical physics : PCCP","2025","","","","","10.1039/d4cp03982c","","x-ray","0.71073","MoKα","","0.0348","0.0285","","","0.1251","0.1566","","","","1.2148","1.2148","1.2813","","","","has coordinates","297585","2025-02-04","01:54:48",""
"7249891","10.2178","0.0002","10.2178","0.0002","13.0003","0.0004","90","","90","","120","","1175.44","0.05","100","2","100","2","","","","","","","","4","P 32","P 32","145","","","","- C17 H20 N2 S -","- C17 H20 N2 S -","- C51 H60 N6 S3 -","3","1","","Dwivedi, Astha M.; Gonnade, Rajesh G.; Sahoo, Suban K.; Bedekar, Ashutosh V.","Separation of isomers of chiral thiourea derivatives via spontaneous resolution and rationale of molecular recognition","CrystEngComm","2025","27","9","1240","1247","10.1039/D4CE01226G","","","1.54178","CuKα","","0.0318","0.0277","","","0.0607","0.0631","","","","","","1.078","","","","has coordinates","298216","2025-03-04","19:51:25",""
"7249892","12.9267","0.0011","12.7298","0.0011","9.3576","0.0008","90","","90.901","0.002","90","","1539.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 S -","- C17 H20 N2 S -","- C68 H80 N8 S4 -","4","1","","Dwivedi, Astha M.; Gonnade, Rajesh G.; Sahoo, Suban K.; Bedekar, Ashutosh V.","Separation of isomers of chiral thiourea derivatives via spontaneous resolution and rationale of molecular recognition","CrystEngComm","2025","27","9","1240","1247","10.1039/D4CE01226G","","","1.54178","CuKα","","0.0336","0.0328","","","0.0828","0.0836","","","","","","1.071","","","","has coordinates","298216","2025-03-04","19:51:26",""
"7249893","18.5963","0.0005","18.5963","0.0005","5.7039","0.0002","90","","90","","120","","1708.27","0.09","278","2","278","2","","","","","","","","3","P 65","P 65","170","","","","- C14 H11 N -","- C14 H11 N -","- C84 H66 N6 -","6","1","","Cabrera, Alexa; Safari, Fatemah; Kumar, Ravhi; Zhu, Haoran; Ahart, Muhtar; Liu, Zhenxian; Driver, Tom G.; Hemley, Russell J.","Synthesis, structure, and stability of a novel 2H-azirine under pressure","CrystEngComm","2025","27","9","1248","1255","10.1039/D4CE00937A","","","1.54184","CuKα","","0.0777","0.0582","","","0.197","0.2165","","","","","","1.142","","","","has coordinates","298215","2025-03-04","19:51:15",""
"7249894","9.0094","0.0004","7.6502","0.0004","5.0908","0.0002","90","","97.673","0.004","90","","347.74","0.03","150","","150","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","1,4-dichlorotetrafluorobenzene","","- C6 Cl2 F4 -","- C6 Cl2 F4 -","- C12 Cl4 F8 -","2","0.25","","Bear, Joseph C.; Rosu-Finsen, Alexander; Cockcroft, Jeremy K.","Non-covalent interactions in solid <i>p</i>-C<sub>6</sub>F<sub>4</sub>Cl<sub>2</sub> and C<sub>6</sub>F<sub>5</sub>Cl.","CrystEngComm","2025","27","10","1386","1391","10.1039/d4ce01192a","","x-ray","1.54184","CuKα","","0.0221","0.022","","","0.0596","0.0596","","","","","","1.168","","","","has coordinates","298230","2025-03-04","19:56:49",""
"7249895","9.0176","0.0003","7.6579","0.0003","9.4977","0.0004","90","","96.562","0.003","90","","651.58","0.04","150","","150","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Chloropentafluorobenzene","","- C6 Cl F5 -","- C6 Cl F5 -","- C24 Cl4 F20 -","4","0.5","","Bear, Joseph C.; Rosu-Finsen, Alexander; Cockcroft, Jeremy K.","Non-covalent interactions in solid <i>p</i>-C<sub>6</sub>F<sub>4</sub>Cl<sub>2</sub> and C<sub>6</sub>F<sub>5</sub>Cl.","CrystEngComm","2025","27","10","1386","1391","10.1039/d4ce01192a","","x-ray","1.54184","CuKα","","0.0357","0.0343","","","0.0934","0.0944","","","","","","1.083","","","","has coordinates","298230","2025-03-04","19:56:51",""
"7249896","9.1116","0.0006","7.7713","0.0006","4.8027","0.0004","90","","95.977","0.007","90","","338.23","0.04","200","","200","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Chloropentafluorobenzene","","- C6 Cl F5 -","- C6 Cl F5 -","- C12 Cl2 F10 -","2","0.25","","Bear, Joseph C.; Rosu-Finsen, Alexander; Cockcroft, Jeremy K.","Non-covalent interactions in solid <i>p</i>-C<sub>6</sub>F<sub>4</sub>Cl<sub>2</sub> and C<sub>6</sub>F<sub>5</sub>Cl.","CrystEngComm","2025","27","10","1386","1391","10.1039/d4ce01192a","","x-ray","1.54184","CuKα","","0.0725","0.0694","","","0.1861","0.1889","","","","","","1.084","","","","has coordinates","298230","2025-03-04","19:56:51",""
"7249897","28.64","0.02","6.895","0.005","18.824","0.015","90","","95.56","0.03","90","","3700","5","293.15","","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 O2 S -","- C23 H18 O2 S -","- C184 H144 O16 S8 -","8","1","","Xu, Tiantian; Wang, Fen-Dou; Yang, Wen-Chao; Lu, Tong; Wang, Min; Li, Pinhua","Photo-induced intramolecular alkyl/aryl group transfer and SO2 insertion: a new strategy for the synthesis of 3-(alkyl/arylsulfonyl)benzothiophenes","Green Chemistry","2025","27","9","2386","2391","10.1039/D4GC06127F","","","0.71073","MoKα","","0.093","0.0545","","","0.1167","0.1435","","","","","","1.05","","","","has coordinates,has disorder","298966","2025-04-05","03:29:31",""
"7249898","5.8241","0.0003","10.0409","0.0006","29.8544","0.0018","90","","90","","90","","1745.86","0.17","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O2 S2 -","- C20 H20 O2 S2 -","- C80 H80 O8 S8 -","4","1","","Xu, Tiantian; Wang, Fen-Dou; Yang, Wen-Chao; Lu, Tong; Wang, Min; Li, Pinhua","Photo-induced intramolecular alkyl/aryl group transfer and SO2 insertion: a new strategy for the synthesis of 3-(alkyl/arylsulfonyl)benzothiophenes","Green Chemistry","2025","27","9","2386","2391","10.1039/D4GC06127F","","","1.54178","CuKα","","0.0308","0.0303","","","0.0798","0.08","","","","","","1.059","","","","has coordinates","298966","2025-04-05","03:29:32",""
"7249899","12.6015","0.0004","14.4095","0.0005","13.064","0.0004","90","","105.544","0.001","90","","2285.42","0.13","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 O2 S3 -","- C28 H18 O2 S3 -","- C112 H72 O8 S12 -","4","1","","Xu, Tiantian; Wang, Fen-Dou; Yang, Wen-Chao; Lu, Tong; Wang, Min; Li, Pinhua","Photo-induced intramolecular alkyl/aryl group transfer and SO2 insertion: a new strategy for the synthesis of 3-(alkyl/arylsulfonyl)benzothiophenes","Green Chemistry","2025","27","9","2386","2391","10.1039/D4GC06127F","","","0.71073","MoKα","","0.0733","0.0435","","","0.0976","0.114","","","","","","1.039","","","","has coordinates","298966","2025-04-05","03:29:32",""
"7249900","18.1755","0.0004","18.1755","0.0004","10.3739","0.0004","90","","90","","90","","3427.01","0.17","170","2","170.15","","","","","","","","","5","I -4","I -4","82","","[N'-(2-oxobenzylidene)isonicotinoylhydrazonato](methoxo)oxovanadium(v) methanol solvate","","- C15 H16 N3 O5 V -","- C14 H12 N3 O4 V -","- C112 H96 N24 O32 V8 -","8","1","","Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","High-valent oxovanadium metallosupramolecular species as catalysts for the oxidation of benzyl alcohol derivatives.","RSC advances","2025","15","5","3547","3561","10.1039/d4ra09073j","","","1.54184","CuKα","","0.0418","0.0381","","","0.0987","0.1028","","","","","","1.074","","","","has coordinates","297619","2025-02-06","02:31:21",""
"7249901","12.9499","0.0003","11.4867","0.0003","21.6234","0.0005","90","","90","","90","","3216.52","0.13","169.99","0.1","170.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[N'-(2-oxobenzylidene)isonicotinoylhydrazonato](propoxo)oxovanadium(v)","","- C16 H16 N3 O4 V -","- C16 H16 N3 O4 V -","- C128 H128 N24 O32 V8 -","8","1","","Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","High-valent oxovanadium metallosupramolecular species as catalysts for the oxidation of benzyl alcohol derivatives.","RSC advances","2025","15","5","3547","3561","10.1039/d4ra09073j","","","1.54184","CuKα","","0.042","0.0377","","","0.0995","0.1024","","","","","","1.068","","","","has coordinates","297619","2025-02-06","02:31:23",""
"7249902","21.2703","0.0003","29.7362","0.0004","22.5536","0.0004","90","","90","","90","","14265.1","0.4","170","2","170.15","","","","","","","","","5","I b c a","-I 2b 2c","73","","[N'-(2-oxobenzylidene)isonicotinoylhydrazonato](1-pentoxo)oxovanadium(v)","","- C35.67 H28.5 N6 O8 V2 -","- C35.6666 H28.5 N6 O8 V2 -","- C570.666 H456 N96 O128 V32 -","16","1","","Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","High-valent oxovanadium metallosupramolecular species as catalysts for the oxidation of benzyl alcohol derivatives.","RSC advances","2025","15","5","3547","3561","10.1039/d4ra09073j","","","1.54184","CuKα","","0.0888","0.0678","","","0.1909","0.2074","","","","","","1.03","","","","has coordinates,has disorder","297619","2025-02-06","02:31:24",""
"7249903","22.0687","0.0002","20.5886","0.0002","26.842","0.0003","90","","90","","90","","12196","0.2","169.98","0.1","170.15","","","","","","","","","5","I b c a","-I 2b 2c","73","","[N'-(2-oxobenzylidene)isonicotinoylhydrazonato](methoxo)oxovanadium(v) methanol solvate","","- C28.5 H26 N6 O8.5 V2 -","- C28 H24 N6 O8 V2 -","- C448 H384 N96 O128 V32 -","16","1","","Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","High-valent oxovanadium metallosupramolecular species as catalysts for the oxidation of benzyl alcohol derivatives.","RSC advances","2025","15","5","3547","3561","10.1039/d4ra09073j","","","1.54184","CuKα","","0.0377","0.0352","","","0.0999","0.1018","","","","","","1.092","","","","has coordinates,has disorder","297619","2025-02-06","02:31:24",""
"7249904","12.5068","0.0002","11.7094","0.0001","23.1275","0.0003","90","","90","","90","","3386.96","0.08","169.99","0.1","170.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[N'-(2-oxobenzylidene)isonicotinoylhydrazonato](n-butoxo)oxovanadium(v)","","- C17 H18 N3 O4 V -","- C17 H18 N3 O4 V -","- C136 H144 N24 O32 V8 -","8","1","","Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","High-valent oxovanadium metallosupramolecular species as catalysts for the oxidation of benzyl alcohol derivatives.","RSC advances","2025","15","5","3547","3561","10.1039/d4ra09073j","","","1.54184","CuKα","","0.0513","0.0476","","","0.1293","0.133","","","","","","1.077","","","","has coordinates","297619","2025-02-06","02:31:24",""
"7249905","20.6605","0.0009","22.3137","0.0008","29.1125","0.0015","90","","90","","90","","13421.2","1","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","[N'-(2-oxobenzylidene)isonicotinoylhydrazonato](ethoxo)oxovanadium(v) ethanol solvate","","- C31.34 H26 N6 O8.5 V2 -","- C30.34 H23 N6 O8 V2 -","- C485.44 H368 N96 O128 V32 -","16","1","","Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","High-valent oxovanadium metallosupramolecular species as catalysts for the oxidation of benzyl alcohol derivatives.","RSC advances","2025","15","5","3547","3561","10.1039/d4ra09073j","","","1.54184","CuKα","","0.0949","0.0577","","","0.1471","0.1696","","","","","","1.023","","","","has coordinates,has disorder","297619","2025-02-06","02:31:25",""
"7249906","13.05222","0.00006","11.39032","0.00005","21.5545","0.00011","90","","90","","90","","3204.49","0.03","169.99","0.1","170.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[N'-(2-oxobenzylidene)isonicotinoylhydrazonato](ethoxo)oxovanadium(v)","","- C15 H14 N3 O4 V -","- C15 H14 N3 O4 V -","- C120 H112 N24 O32 V8 -","8","1","","Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","High-valent oxovanadium metallosupramolecular species as catalysts for the oxidation of benzyl alcohol derivatives.","RSC advances","2025","15","5","3547","3561","10.1039/d4ra09073j","","","1.54184","CuKα","","0.0289","0.0287","","","0.0817","0.082","","","","","","1.096","","","","has coordinates","297619","2025-02-06","02:31:25",""
"7249907","11.6799","0.0006","8.0262","0.0004","13.2131","0.0007","90","","90","","90","","1238.66","0.11","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C9 H14 Cl N3 O Pt S -","- C9 H14 Cl N3 O Pt S -","- C36 H56 Cl4 N12 O4 Pt4 S4 -","4","1","","O'Sullivan, Patrick; Previtali, Viola; Twamley, Brendan; Marmion, Celine J.; McDonald, Aidan R.; Rozas, Isabel","Platinum(ii) complexes of aryl guanidine-like derivatives as potential anticancer agents: between coordination and cyclometallation.","RSC advances","2025","15","5","3427","3438","10.1039/d5ra00310e","","x-ray","0.71073","MoKα","","0.0091","0.0086","","","0.0187","0.0189","","","","","","1.038","","","","has coordinates","297620","2025-02-06","02:32:55",""
"7249908","9.634","0.006","9.422","0.006","21.15","0.013","90","","96.86","0.017","90","","1906","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 Cl2 N4 O2 Pt2 S2 -","- C11 H20 Cl2 N4 O2 Pt2 S2 -","- C44 H80 Cl8 N16 O8 Pt8 S8 -","4","1","","O'Sullivan, Patrick; Previtali, Viola; Twamley, Brendan; Marmion, Celine J.; McDonald, Aidan R.; Rozas, Isabel","Platinum(ii) complexes of aryl guanidine-like derivatives as potential anticancer agents: between coordination and cyclometallation.","RSC advances","2025","15","5","3427","3438","10.1039/d5ra00310e","","x-ray","0.71073","MoKα","","0.047","0.0451","","","0.1075","0.1082","","","","","","1.276","","","","has coordinates","297620","2025-02-06","02:32:56",""
"7249909","15.3526","0.0011","15.601","0.0011","16.0353","0.0012","90","","94.2679","0.001","90","","3830.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 I3 N9 O6 Pt2 -","- C28 H44 I3 N9 O6 Pt2 -","- C112 H176 I12 N36 O24 Pt8 -","4","1","","O'Sullivan, Patrick; Previtali, Viola; Twamley, Brendan; Marmion, Celine J.; McDonald, Aidan R.; Rozas, Isabel","Platinum(ii) complexes of aryl guanidine-like derivatives as potential anticancer agents: between coordination and cyclometallation.","RSC advances","2025","15","5","3427","3438","10.1039/d5ra00310e","","x-ray","0.71073","MoKα","","0.0412","0.0261","","","0.0599","0.0668","","","","","","1.05","","","","has coordinates,has disorder","297620","2025-02-06","02:32:57",""
"7249910","21.4585","0.0012","12.2662","0.0007","11.1763","0.0006","90","","90","","90","","2941.8","0.3","100","2","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C19 H35.46 Cl2 N6 O7.73 Pt2 S2 -","- C19 H35.454 Cl2 N6 O7.727 Pt2 S2 -","- C76 H141.816 Cl8 N24 O30.908 Pt8 S8 -","4","1","","O'Sullivan, Patrick; Previtali, Viola; Twamley, Brendan; Marmion, Celine J.; McDonald, Aidan R.; Rozas, Isabel","Platinum(ii) complexes of aryl guanidine-like derivatives as potential anticancer agents: between coordination and cyclometallation.","RSC advances","2025","15","5","3427","3438","10.1039/d5ra00310e","","x-ray","0.71073","MoKα","","0.0531","0.0397","","","0.0887","0.0961","","","","","","1.088","","","","has coordinates,has disorder","297620","2025-02-06","02:32:57",""
"7249911","11.811","0.0005","12.8065","0.0005","18.366","0.0007","90","","90","","90","","2778","0.19","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H16 Cl N3 O Pt S -","- C11 H16 Cl N3 O Pt S -","- C88 H128 Cl8 N24 O8 Pt8 S8 -","8","1","","O'Sullivan, Patrick; Previtali, Viola; Twamley, Brendan; Marmion, Celine J.; McDonald, Aidan R.; Rozas, Isabel","Platinum(ii) complexes of aryl guanidine-like derivatives as potential anticancer agents: between coordination and cyclometallation.","RSC advances","2025","15","5","3427","3438","10.1039/d5ra00310e","","","0.71073","MoKα","","0.0168","0.0119","","","0.0226","0.0235","","","","","","1.023","","","","has coordinates","297620","2025-02-06","02:32:57",""
"7249912","7.1928","0.0004","13.8777","0.0008","15.0416","0.0009","90","","90","","90","","1501.45","0.15","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 Cl2 N3 O Pt S -","- C11 H17 Cl2 N3 O Pt S -","- C44 H68 Cl8 N12 O4 Pt4 S4 -","4","1","","O'Sullivan, Patrick; Previtali, Viola; Twamley, Brendan; Marmion, Celine J.; McDonald, Aidan R.; Rozas, Isabel","Platinum(ii) complexes of aryl guanidine-like derivatives as potential anticancer agents: between coordination and cyclometallation.","RSC advances","2025","15","5","3427","3438","10.1039/d5ra00310e","","","0.71073","MoKα","","0.0176","0.0152","","","0.0309","0.0314","","","","","","1.02","","","","has coordinates","297620","2025-02-06","02:32:58",""
"7249913","7.2417","0.0002","11.2409","0.0003","19.6167","0.0006","90","","91.9052","0.0011","90","","1595.98","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Cl2 N5 Pt -","- C13 H17 Cl2 N5 Pt -","- C52 H68 Cl8 N20 Pt4 -","4","1","","O'Sullivan, Patrick; Previtali, Viola; Twamley, Brendan; Marmion, Celine J.; McDonald, Aidan R.; Rozas, Isabel","Platinum(ii) complexes of aryl guanidine-like derivatives as potential anticancer agents: between coordination and cyclometallation.","RSC advances","2025","15","5","3427","3438","10.1039/d5ra00310e","","","0.71073","MoKα","","0.0247","0.0176","","","0.0348","0.0367","","","","","","1.033","","","","has coordinates","297620","2025-02-06","02:32:58",""
"7249914","11.0607","0.0007","11.0707","0.0007","12.6727","0.0008","114.843","0.0018","93.568","0.0019","94.7534","0.0019","1395.22","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H30 Cl2 N6 O5 Pt2 S2 -","- C19 H30 Cl2 N6 O5 Pt2 S2 -","- C38 H60 Cl4 N12 O10 Pt4 S4 -","2","1","","O'Sullivan, Patrick; Previtali, Viola; Twamley, Brendan; Marmion, Celine J.; McDonald, Aidan R.; Rozas, Isabel","Platinum(ii) complexes of aryl guanidine-like derivatives as potential anticancer agents: between coordination and cyclometallation.","RSC advances","2025","15","5","3427","3438","10.1039/d5ra00310e","","","0.71073","MoKα","","0.0353","0.0238","","","0.0509","0.055","","","","","","1.006","","","","has coordinates","297620","2025-02-06","02:32:58",""
"7249915","12.4567","0.0001","23.0603","0.0003","12.7814","0.0001","90","","91.206","0.001","90","","3670.71","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H49 B N2 O4 -","- C42 H49 B N2 O4 -","- C168 H196 B4 N8 O16 -","4","1","","Mansour, Ahmed M.; Mostafa, Gamal A. E.; Radacki, Krzysztof; Ali, Essam A.; Shehab, Ola R.","An insight into the structure of acebutolol tetraphenylborate: crystal structure and quantum chemical calculations.","RSC advances","2025","15","5","3416","3426","10.1039/d4ra07163h","","x-ray","1.54184","CuKα","K-L~2,3~","0.0429","0.0393","","","0.1022","0.1044","","","","","","1.05","","","","has coordinates,has disorder","297621","2025-02-06","02:33:31",""
"7249916","11.346","0.0007","16.9005","0.0008","15.8105","0.001","90","","106.296","0.007","90","","2909.9","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 N2 O6 -","- C34 H34 N2 O6 -","- C136 H136 N8 O24 -","4","1","","Bouone, Yousra Ouafa; Bouzina, Abdeslem; Djemel, Abdelhak; Bardaweel, Sanaa K.; Ibrahim-Ouali, Malika; Bakchiche, Boulanouar; Benaceur, Farouk; Aouf, Nour-Eddine","Investigation of the anticancer activity of modified 4-hydroxyquinolone analogues: in vitro and in silico studies","RSC Advances","2025","15","5","3704","3720","10.1039/D5RA00252D","","x-ray","1.54184","CuKα","","0.0462","0.0395","","","0.1062","0.1121","","","","","","1.043","","","","has coordinates","297622","2025-02-06","02:33:47",""
"7249917","14.361","0.002","13.865","0.002","16.142","0.003","90","","94.825","0.005","90","","3202.7","0.9","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H48 Cl5 Cu N3 O5 -","- C25 H48 Cl5 Cu N3 O5 -","- C100 H192 Cl20 Cu4 N12 O20 -","4","1","","Li, Haitao; Qin, Guangshan; Guo, Zhenwei; Guo, Fang","Metallo-hydrogen bonded organic frameworks with nitrogen tridentate ligands: exploring inclusion and dye adsorption properties","CrystEngComm","2025","27","12","1773","1780","10.1039/D4CE01215A","","","0.71073","MoKα","","0.0454","0.0372","","","0.0959","0.1028","","","","","","1.032","","","","has coordinates","298872","2025-04-05","02:44:04",""
"7249918","11.0149","0.0007","19.8174","0.0013","15.8532","0.001","90","","106.045","0.002","90","","3325.7","0.4","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Cd Cl5 N3 O4 -","- C24 H43.33 Cd Cl5 N3 O4.077 -","- C96 H173.32 Cd4 Cl20 N12 O16.308 -","4","1","","Li, Haitao; Qin, Guangshan; Guo, Zhenwei; Guo, Fang","Metallo-hydrogen bonded organic frameworks with nitrogen tridentate ligands: exploring inclusion and dye adsorption properties","CrystEngComm","2025","27","12","1773","1780","10.1039/D4CE01215A","","","0.71073","MoKα","","0.0649","0.0489","","","0.1268","0.1387","","","","","","1.04","","","","has coordinates,has disorder","298872","2025-04-05","02:44:05",""
"7249919","10.9164","0.0004","19.7454","0.0008","15.8657","0.0006","90","","106.713","0.001","90","","3275.4","0.2","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Cl5 N3 O4 Zn -","- C24 H43.45 Cl5 N3 O4.059 Zn -","- C96 H173.8 Cl20 N12 O16.236 Zn4 -","4","1","","Li, Haitao; Qin, Guangshan; Guo, Zhenwei; Guo, Fang","Metallo-hydrogen bonded organic frameworks with nitrogen tridentate ligands: exploring inclusion and dye adsorption properties","CrystEngComm","2025","27","12","1773","1780","10.1039/D4CE01215A","","","0.71073","MoKα","","0.0852","0.0548","","","0.1385","0.158","","","","","","1.022","","","","has coordinates,has disorder","298872","2025-04-05","02:44:05",""
"7249920","15.4735","0.0004","13.207","0.0004","14.6062","0.0003","90","","90","","90","","2984.9","0.13","119.99","0.1","120","","","","","","","","","7","P n a 21","P 2c -2n","33","ZRFSIX-21-Cu-Alpha","","","- C22 H35 Cu F6 N7 O5 Zr -","- C22 H35 Cu F6 N7 O5 Zr -","- C88 H140 Cu4 F24 N28 O20 Zr4 -","4","1","","Harvey-Reid, Nathan C.; Scott, Hayley S.; Patil, Komal M.; Kumar, Naveen; Healy, Colm; Zaworotko, Michael J.; Mukherjee, Soumya; Kruger, Paul E.","Fine-tuning of gas uptake and selectivity in a hexafluorozirconate pillared coordination network that features two porous phases","CrystEngComm","2025","27","12","1736","1741","10.1039/D4CE01250J","","","1.54184","CuKα","","0.0564","0.0507","","","0.1318","0.1371","","","","","","1.004","","","","has coordinates","298870","2025-04-05","02:43:31",""
"7249921","14.6449","0.0017","16.654","0.003","14.6352","0.0015","90","","90","","90","","3569.5","0.8","120","0.11","120","","","","","","","","","6","P n n a","-P 2a 2bc","52","ZRFSIX-21-Cu-Beta","","","- C20 H22 Cu F6 N6 Zr -","- C20 H22 Cu F5.998 N6 Zr -","- C80 H88 Cu4 F23.992 N24 Zr4 -","4","0.5","","Harvey-Reid, Nathan C.; Scott, Hayley S.; Patil, Komal M.; Kumar, Naveen; Healy, Colm; Zaworotko, Michael J.; Mukherjee, Soumya; Kruger, Paul E.","Fine-tuning of gas uptake and selectivity in a hexafluorozirconate pillared coordination network that features two porous phases","CrystEngComm","2025","27","12","1736","1741","10.1039/D4CE01250J","","","1.54184","CuKα","","0.1729","0.1131","","","0.2864","0.3335","","","","","","1.094","","","","has coordinates,has disorder","298870","2025-04-05","02:43:31",""
"7249922","19.08705","0.00009","15.151","0.00007","15.82527","0.00008","90","","95.2175","0.0005","90","","4557.51","0.04","298.6","0.14","298.6","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetrakis-[(μ~3~-methanolato-κ^3^O:O:O)(methanol-κO)(2-oxyacetophenone-κ^2^O,O')nickel(II)]","","","- C40 H56 Ni4 O16 -","- C40 H56 Ni4 O16 -","- C160 H224 Ni16 O64 -","4","1","","Haque, Imdadul; Enamullah, Mohammed; Jhumur, Nisat Taslum; Sidhu, Baldeep K.; Herbert, David E.; Haj Hassani Sohi, Takin; Havlíček, Lubomír; Nemec, Ivan; Janiak, Christoph","Ferromagnetically coupled tetranuclear Ni(ii)-2-oxy-aceto- or benzo-phenonate complexes","RSC Advances","2025","15","6","4250","4261","10.1039/D4RA08700C","","x-ray","1.54184","CuKα","","0.0336","0.0318","","","0.0967","0.098","","","","","","1.068","","","","has coordinates,has disorder","297638","2025-02-08","02:16:46",""
"7249923","11.6867","0.0017","13.294","0.003","18.419","0.004","76.144","0.009","74.388","0.01","82.908","0.007","2670.5","0.9","150","","150","","","","","","","","","4","P -1","-P 1","2","tetrakis-[(μ~3~-methanolato-κ^3^O:O:O)(aqua-κO)(2-oxybenzophenonato-κ^2^O,O')nickel(II)] monohydrate","","","- C56 H58 Ni4 O17 -","- C56 H58 Ni4 O17 -","- C112 H116 Ni8 O34 -","2","1","","Haque, Imdadul; Enamullah, Mohammed; Jhumur, Nisat Taslum; Sidhu, Baldeep K.; Herbert, David E.; Haj Hassani Sohi, Takin; Havlíček, Lubomír; Nemec, Ivan; Janiak, Christoph","Ferromagnetically coupled tetranuclear Ni(ii)-2-oxy-aceto- or benzo-phenonate complexes","RSC Advances","2025","15","6","4250","4261","10.1039/D4RA08700C","","","0.71073","MoKα","","0.0567","0.0436","","","0.0837","0.0933","","","","","","1.181","","","","has coordinates","297638","2025-02-08","02:16:48",""
"7249924","14.8563","0.0009","15.281","0.0008","16.5287","0.0012","76.367","0.002","85.738","0.002","66.875","0.002","3352.9","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H55 N6 O8 Yb2 -","- C78 H55 N6 O8 Yb2 -","- C156 H110 N12 O16 Yb4 -","2","1","","Sun, Yining; Liu, Guoguo; Xiong, Gang; Xu, Guangwen","Two novel tetranuclear Yb(iii)-based compounds for highly efficient conversion of CO2 to cyclic carbonates","CrystEngComm","2025","27","14","2148","2153","10.1039/D4CE00662C","","","0.71073","MoKα","","0.0735","0.0529","","","0.1306","0.146","","","","","","1.06","","","","has coordinates,has disorder","298850","2025-04-05","02:37:08",""
"7249925","21.4927","0.0003","15.5992","0.0002","25.5168","0.0004","90","","95.309","0.001","90","","8518.3","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C176 H144 Cl4 N18 O22 Yb4 -","- C176 H144 Cl4 N18 O22 Yb4 -","- C352 H288 Cl8 N36 O44 Yb8 -","2","0.5","","Sun, Yining; Liu, Guoguo; Xiong, Gang; Xu, Guangwen","Two novel tetranuclear Yb(iii)-based compounds for highly efficient conversion of CO2 to cyclic carbonates","CrystEngComm","2025","27","14","2148","2153","10.1039/D4CE00662C","","","1.54178","CuKα","","0.0784","0.0718","","","0.2059","0.2127","","","","","","1.065","","","","has coordinates","298850","2025-04-05","02:37:09",""
"7249926","25.1779","0.0012","17.1245","0.0009","24.3955","0.0012","90","","100.441","0.001","90","","10344.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C122.5 H140 N4 Na4 O8 -","- C122.5 H140 N4 Na4 O8 -","- C490 H560 N16 Na16 O32 -","4","1","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.0673","0.0523","","","0.1337","0.1444","","","","","","1.022","","","","has coordinates,has disorder","298871","2025-04-05","02:43:53",""
"7249927","14.8981","0.0006","8.6526","0.0003","16.0807","0.0008","90","","110.599","0.005","90","","1940.39","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.0907","0.0673","","","0.1805","0.1959","","","","","","1.06","","","","has coordinates","298871","2025-04-05","02:43:54",""
"7249928","26.9692","0.0016","26.9692","0.0016","17.5013","0.0011","90","","90","","120","","11023.9","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C186 H192 Ca3 N6 O6 -","- C186 H192 Ca3 N6 O6 -","- C558 H576 Ca9 N18 O18 -","3","0.166667","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.139","0.0895","","","0.215","0.2493","","","","","","1.046","","","","has coordinates,has disorder","298871","2025-04-05","02:43:54",""
"7249929","24.2597","0.0008","44.3767","0.0015","8.5031","0.0003","90","","90","","90","","9154.1","0.5","100","2","100","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C22 H15 N O -","- C22 H15 N O -","- C528 H360 N24 O24 -","24","3","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.0727","0.0489","","","0.1107","0.122","","","","","","1.023","","","","has coordinates","298871","2025-04-05","02:43:54",""
"7249930","14.4234","0.0007","10.4958","0.0004","14.8391","0.0007","90","","110.63","0.005","90","","2102.37","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Cl N O -","- C24 H26 Cl N O -","- C96 H104 Cl4 N4 O4 -","4","1","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.073","0.0501","","","0.113","0.1259","","","","","","1.019","","","","has coordinates,has disorder","298871","2025-04-05","02:43:54",""
"7249931","15.9889","0.001","14.0339","0.0009","19.241","0.001","90","","90","","90","","4317.4","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H26 B F4 N O -","- C24 H26 B F4 N O -","- C192 H208 B8 F32 N8 O8 -","8","1","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.1047","0.071","","","0.1825","0.2049","","","","","","1.092","","","","has coordinates","298871","2025-04-05","02:43:54",""
"7249932","10.632","0.0006","13.0113","0.0007","13.1794","0.0007","80.2304","0.0017","76.6792","0.0018","69.7594","0.0017","1656.48","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H102 Al2 Li2 N2 O8 -","- C72 H102 Al2 Li2 N2 O8 -","- C72 H102 Al2 Li2 N2 O8 -","1","0.5","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.0513","0.0414","","","0.1015","0.1078","","","","","","1.026","","","","has coordinates,has disorder","298871","2025-04-05","02:43:54",""
"7249934","6.2271","0.0002","8.9744","0.0003","10.7641","0.0003","90","","90","","90","","601.55","0.03","113.15","","113.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Chen, Zhifei; Ning, Yibo; Li, Lei; Cao, Xueying; Xi, Gaolei; Cheng, Dongxu; Wang, Qingfu; Lu, Changtong; Yang, Kai","Production of 1,4:3,6-dianhydro-α-d-glucopyranose from methyl 3,6-anhydro-α-d-glucopyranoside and its taste identification","RSC Advances","2025","15","6","4481","4486","10.1039/D5RA00266D","","x-ray","0.71073","MoKα","","0.0483","0.0448","","","0.1092","0.1132","","","","","","1.054","","","","has coordinates","297677","2025-02-11","02:42:30",""
"7249935","10.4775","0.0003","7.529","0.0003","15.5021","0.0005","90","","94.249","0.003","90","","1219.52","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N5 -","- C14 H9 N5 -","- C56 H36 N20 -","4","1","","Sharma, Vanshika; Dutta, Srishti; Sahu, Devanand; Pandey, Abhilash; Kumar, Dishen; Das, Sanchita; Patra, Goutam Kumar","A new quinoline-based fluorescent-colorimetric chemosensor for sensitive and selective “on–off” detection of Pb2+ ions","RSC Advances","2025","15","6","4236","4249","10.1039/D4RA08193E","","x-ray","0.71073","MoKα","","0.0549","0.0393","","","0.1018","0.1087","","","","","","1.098","","","","has coordinates","298703","2025-04-03","05:34:23",""
"7249936","16.5381","0.0009","17.0084","0.0009","28.4386","0.0016","85.261","0.003","79.664","0.003","68.022","0.002","7296.6","0.7","298.3","","298.3","","","","","","","","","5","P -1","-P 1","2","","Ti29KO39(OEt)38","","- C76 H190 K O77 Ti29 -","- C76 H190 K O77 Ti29 -","- C152 H380 K2 O154 Ti58 -","2","1","","Liu, Xinchun; Yuan, Yanpeng; Fu, Jiawei; Kong, Yuqing; Sun, Yinyong; Li, Xiaolin; Qu, Nan","Solid-phase synthesis of titanium-oxo clusters and their unprecedented catalytic performance in oxidative desulfurization of fuel oil","Green Chemistry","2025","27","11","2995","3003","10.1039/D4GC05728G","","","0.71073","MoKα","","0.1019","0.0697","","","0.1844","0.2087","","","","","","1.044","","","","has coordinates,has disorder","301020","2025-07-06","17:23:19",""
"7249937","5.52413","0.00013","15.246","0.0004","22.0591","0.0006","90","","90","","90","","1857.84","0.08","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C84 H104 O20 -","4","1","","Kohyama, Aki; Namioka, Motoki; Naka, Hiroshi; Ashikari, Yosuke; Nagaki, Aiichiro; Takikawa, Hiroshi; Yamaoka, Yousuke; Takasu, Kiyosei","Continuous flow synthesis of cyclobutenes via lithium ynolates","Green Chemistry","2025","27","10","2760","2765","10.1039/D4GC05102E","","x-ray","1.54184","CuKα","","0.0379","0.0361","","","0.0975","0.0983","","","","","","1.092","","","","has coordinates","298954","2025-04-05","03:26:39",""
"7249938","6.664","0.0009","17.112","0.002","18.366","0.003","90","","97.266","0.011","90","","2077.5","0.5","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cd2 Cl6 N2 -","- C10 H20 Cd2 Cl6 N2 -","- C40 H80 Cd8 Cl24 N8 -","4","1","","Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia","High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals","CrystEngComm","2025","27","11","1534","1540","10.1039/D5CE00012B","","x-ray","0.71073","MoKα","","0.0894","0.0552","","","0.0874","0.0999","","","","","","1.011","","","","has coordinates","298865","2025-04-05","02:42:19",""
"7249939","17.6713","0.0011","6.7314","0.0003","18.1716","0.001","90","","90","","90","","2161.6","0.2","403.02","0.1","403.02","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H40 Cd4 Cl12 N4 -","- C20 H40 Cd4 Cl12 N4 -","- C40 H80 Cd8 Cl24 N8 -","2","0.25","","Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia","High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals","CrystEngComm","2025","27","11","1534","1540","10.1039/D5CE00012B","","x-ray","1.54184","CuKα","","0.1221","0.0836","","","0.2809","0.3203","","","","","","1.066","","","","has coordinates,has disorder","298865","2025-04-05","02:42:19",""
"7249940","6.3709","0.0003","16.9377","0.0009","18.33","0.001","90","","97.538","0.005","90","","1960.87","0.18","300","0.1","300","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1","","- C10 H20 Cl6 Mn2 N2 -","- C10 H20 Cl6 Mn2 N2 -","- C40 H80 Cl24 Mn8 N8 -","4","1","","Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia","High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals","CrystEngComm","2025","27","11","1534","1540","10.1039/D5CE00012B","","x-ray","1.54184","CuKα","","0.1","0.0573","","","0.1412","0.1744","","","","","","1.095","","","","has coordinates","298865","2025-04-05","02:42:19",""
"7249941","14.6427","0.0016","6.494","0.0008","10.999","0.002","90","","90","","90","","1045.9","0.3","428","0.1","428","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H10 Cl3 Mn N -","- C5 H10 Cl3 Mn N -","- C20 H40 Cl12 Mn4 N4 -","4","0.5","","Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia","High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals","CrystEngComm","2025","27","11","1534","1540","10.1039/D5CE00012B","","x-ray","1.54184","CuKα","","0.3271","0.2541","","","0.3984","0.4352","","","","","","1.028","","","","has coordinates,has disorder","298865","2025-04-05","02:42:19",""
"7249942","11.5763","0.0001","18.4127","0.0002","24.1317","0.0003","90","","103.228","0.001","90","","5007.22","0.1","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H50 Cl4 N12 -","- C54 H50 Cl4 N12 -","- C216 H200 Cl16 N48 -","4","0.5","","Smith, Jordan N.; White, Nicholas G.","Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association","CrystEngComm","2025","27","11","1568","1574","10.1039/D5CE00020C","","x-ray","1.54184","CuKα","","0.0359","0.0343","","","0.0903","0.0914","","","","","","1.061","","","","has coordinates","298858","2025-04-05","02:40:26",""
"7249943","11.4546","0.0005","18.6173","0.0007","24.6098","0.0012","90","","100.265","0.004","90","","5164.1","0.4","150.01","0.1","150.01","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 N12 -","- C52 H46 N12 -","- C208 H184 N48 -","4","0.5","","Smith, Jordan N.; White, Nicholas G.","Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association","CrystEngComm","2025","27","11","1568","1574","10.1039/D5CE00020C","","x-ray","1.54184","CuKα","","0.0738","0.0549","","","0.1469","0.1584","","","","","","1.037","","","","has coordinates","298858","2025-04-05","02:40:27",""
"7249944","10.8323","0.0007","10.8523","0.001","13.367","0.001","68.942","0.008","77.748","0.006","63.78","0.008","1312.8","0.2","150","0.1","150","0.1","","","","","","","","3","P 1","P 1","1","","","","- C52 H46 N12 -","- C52 H46 N12 -","- C52 H46 N12 -","1","1","","Smith, Jordan N.; White, Nicholas G.","Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association","CrystEngComm","2025","27","11","1568","1574","10.1039/D5CE00020C","","x-ray","1.54184","CuKα","","0.0459","0.0441","","","0.1185","0.1208","","","","","","1.063","","","","has coordinates,has disorder","298858","2025-04-05","02:40:27",""
"7249945","10.6444","0.0003","49.445","0.0013","11.034","0.0004","90","","115.695","0.004","90","","5233.1","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H48 Cl6 N12 -","- C54 H48 Cl6 N12 -","- C216 H192 Cl24 N48 -","4","2","","Smith, Jordan N.; White, Nicholas G.","Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association","CrystEngComm","2025","27","11","1568","1574","10.1039/D5CE00020C","","x-ray","1.54184","CuKα","","0.0873","0.0715","","","0.1716","0.185","","","","","","1.053","","","","has coordinates","298858","2025-04-05","02:40:27",""
"7249946","21.5884","0.0009","21.5884","0.0009","17.7901","0.0011","90","","90","","90","","8291.2","0.7","293","2","293","2","","","","","","","","9","P -4 21 m","P -4 2ab","113","","","","- Cl Cs7.5 H12 N Na0.5 Ni4 O78 P2 W17 -","- Cl Cs7.5 H4 N Na0.5 Ni4 O74 P2 W17 -","- Cl4 Cs30 H16 N4 Na2 Ni16 O296 P8 W68 -","4","0.5","","Wang, Zhen-Wen; Wang, Yue-Lin; Yang, Guo-Yu","A novel sandwich Ni-added polyoxometalate with nonlinear optical properties and photothermal conversion performance","CrystEngComm","2025","27","11","1650","1656","10.1039/D5CE00036J","","x-ray","0.71073","MoKα","","0.0965","0.0533","","","0.0935","0.1102","","","","","","1.031","","","","has coordinates","298860","2025-04-05","02:41:06",""
"7249947","11.464","0.00016","10.37828","0.00014","10.88732","0.00018","90","","108.933","0.001","90","","1225.26","0.03","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pranoprofen","Pranoprofen","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Prohens, Rafel; Barbas, Rafael; Abrego, Guadalupe; Frontera, Antonio","Interplay of hydrogen bonding and π-stacking interactions in the solid-state architecture of pranoprofen: insights from X-ray crystallography and computational analyses","CrystEngComm","2025","27","12","1742","1748","10.1039/D4CE01279H","powder diffraction","","0.6194","synchrotron","","","","","","","","","23.7501","1204.5","","","","","","","has coordinates","298868","2025-04-05","02:42:57",""
"7249948","7.6524","0.0002","13.8446","0.0003","17.0676","0.0004","90","","90","","90","","1808.22","0.07","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4Z,8S,9R,12E,14E)-9-Hydroxy-1-isopropyl-8,12-dimethyl_oxabicyclo[9.3.2]-hexadeca-4,12,14-trien-18-one","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Lai, Kuei-Hung; Chung, Hsiao-Ling; Chen, You-Ying; Zheng, Li-Guo; Su, Jui-Hsin; El-Shazly, Mohamed","Insights into the structural diversity of cembranoids from Sarcophyton glaucum and their bioactivity","RSC Advances","2025","15","6","4702","4707","10.1039/D5RA00208G","","","1.54178","CuKα","","0.0315","0.0296","","","0.0777","0.079","","","","","","1.035","","","","has coordinates","297717","2025-02-13","02:26:26",""
"7249949","10.9227","0.0003","11.4366","0.0003","14.0387","0.0004","90","","90","","90","","1753.69","0.08","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","sarsolilide A","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Lai, Kuei-Hung; Chung, Hsiao-Ling; Chen, You-Ying; Zheng, Li-Guo; Su, Jui-Hsin; El-Shazly, Mohamed","Insights into the structural diversity of cembranoids from Sarcophyton glaucum and their bioactivity","RSC Advances","2025","15","6","4702","4707","10.1039/D5RA00208G","","","1.54178","CuKα","","0.0302","0.0296","","","0.0799","0.0804","","","","","","1.031","","","","has coordinates","297717","2025-02-13","02:26:39",""
"7249950","10.9787","0.0004","11.8275","0.0004","13.8005","0.0005","90","","90","","90","","1792","0.11","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Lai, Kuei-Hung; Chung, Hsiao-Ling; Chen, You-Ying; Zheng, Li-Guo; Su, Jui-Hsin; El-Shazly, Mohamed","Insights into the structural diversity of cembranoids from Sarcophyton glaucum and their bioactivity","RSC Advances","2025","15","6","4702","4707","10.1039/D5RA00208G","","","1.54178","CuKα","","0.0326","0.0317","","","0.0859","0.0866","","","","","","1.046","","","","has coordinates","297717","2025-02-13","02:26:49",""
"7249951","37.466","0.003","14.8831","0.0009","18.3908","0.0016","90","","90","","90","","10254.9","1.4","298","","298","","","","","","","","","10","P n m a","-P 2ac 2n","62","","","","- B2 Cs1.5 H47 K4 N0.5 Na3 Ni7 O101 Si2 W20 -","- B2 Cs1.5 H6 K4 N0.5 Na3 Ni7 O101 Si2 W20 -","- B8 Cs6 H24 K16 N2 Na12 Ni28 O404 Si8 W80 -","4","0.5","","Zhang, Zheng-Ge; Wang, Zhen-Wen; Wang, Yu; Chen, Juan; Wang, Yue-Lin; Yang, Guo-Yu","A Ni-added polyoxometalate: synthesis, structure and catalytic performance","CrystEngComm","2025","27","13","1879","1886","10.1039/D5CE00060B","","x-ray","0.71073","MoKα","","0.1215","0.0728","","","0.1292","0.1423","","","","","","1.094","","","","has coordinates","298837","2025-04-05","02:34:22",""
"7249952","12.72","0.004","21.515","0.007","7.046","0.002","90","","92.062","0.012","90","","1927","1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cu N2 O12 -","- C14 H24 Cu N2 O12 -","- C56 H96 Cu4 N8 O48 -","4","1","","Correia, Gilvan A.; Franco, Chris H. J.; Kirillova, Marina V.; Gallou, Fabrice; Kirillov, Alexander M.","Adding value to terpenes: copper-catalyzed oxidation of α-pinene in water under micellar conditions","Green Chemistry","2025","27","12","3178","3185","10.1039/D4GC06525E","","","0.71073","MoKα","","0.1411","0.0668","","","0.1395","0.17","","","","","","0.958","","","","has coordinates","301021","2025-07-06","17:23:28",""
"7249953","8.169","0.003","9.891","0.005","14.098","0.006","105.24","0.02","96.014","0.015","90.575","0.015","1092.2","0.8","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 Cu2 N4 O14 -","- C19 H14 Cu2 N4 O14 -","- C38 H28 Cu4 N8 O28 -","2","1","","Correia, Gilvan A.; Franco, Chris H. J.; Kirillova, Marina V.; Gallou, Fabrice; Kirillov, Alexander M.","Adding value to terpenes: copper-catalyzed oxidation of α-pinene in water under micellar conditions","Green Chemistry","2025","27","12","3178","3185","10.1039/D4GC06525E","","","0.71075","MoKα","","0.0999","0.0656","","","0.1633","0.1852","","","","","","1.063","","","","has coordinates","301021","2025-07-06","17:23:28",""
"7249954","7.3749","0.001","13.1591","0.0014","19.23","0.003","104.287","0.004","96.867","0.005","103.278","0.004","1729.1","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H33 Cu3 N4 O19 -","- C26 H33 Cu3 N4 O19 -","- C52 H66 Cu6 N8 O38 -","2","1","","Correia, Gilvan A.; Franco, Chris H. J.; Kirillova, Marina V.; Gallou, Fabrice; Kirillov, Alexander M.","Adding value to terpenes: copper-catalyzed oxidation of α-pinene in water under micellar conditions","Green Chemistry","2025","27","12","3178","3185","10.1039/D4GC06525E","","","0.71073","MoKα","","0.0956","0.0648","","","0.1765","0.198","","","","","","1.035","","","","has coordinates","301021","2025-07-06","17:23:28",""
"7249955","12.2261","0.0005","14.0822","0.0006","15.115","0.0005","67.388","0.004","72.278","0.003","74.731","0.003","2256.41","0.17","95","","95","","","","","","","","","6","P -1","-P 1","2","","Venetoclax","","- C47 H53 Cl N8 O7 S -","- C47 H53 Cl N8 O7 S -","- C94 H106 Cl2 N16 O14 S2 -","2","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","1.54184","CuKα","","0.0535","0.0398","","0.0978","0.0895","0.0978","","","","","","0.9919","","","","has coordinates","298867","2025-04-05","02:42:49",""
"7249956","12.6958","0.0005","43.0206","0.0012","10.8969","0.0005","90","","110.267","0.005","90","","5583.2","0.4","95","","95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Venetoclax","","- C55 H63 Cl N10 O11 S -","- C55 H63 Cl N10 O11 S -","- C220 H252 Cl4 N40 O44 S4 -","4","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","1.54184","CuKα","","0.0749","0.0526","","0.1381","0.1237","0.1381","","","","","","0.9807","","","","has coordinates","298867","2025-04-05","02:42:50",""
"7249957","11.1533","0.0004","12.6185","0.0005","19.2633","0.0007","71.723","0.003","85.508","0.003","73.59","0.003","2469.28","0.17","120","","120","","","","","","","","","6","P -1","-P 1","2","","Venetoclax","","- C49 H55 Cl N8 O11 S -","- C49 H55 Cl N8 O11 S -","- C98 H110 Cl2 N16 O22 S2 -","2","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","0.71073","MoKα","","0.084","0.0529","","0.1648","0.1449","0.1648","","","","","","0.9906","","","","has coordinates","298867","2025-04-05","02:42:50",""
"7249958","10.8016","0.0001","10.8223","0.0001","14.0795","0.0001","84.7041","0.0009","83.824","0.0009","76.704","0.001","1588.57","0.02","95","","95","","","","","","","","","6","P 1","P 1","1","","Venetoclax","","- C66 H66 Cl N7.5 O13 S3 -","- C66 H66 Cl N7.5 O13 S3 -","- C66 H66 Cl N7.5 O13 S3 -","1","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","1.54184","CuKα","","0.0555","0.0552","","0.1501","0.1495","0.1501","","","","","","1.0468","","","","has coordinates","298867","2025-04-05","02:42:50",""
"7249959","12.1935","0.0001","15.7385","0.0001","17.4811","0.0002","109.48","0.0009","95.9264","0.0008","109.261","0.0009","2898.7","0.05","95","","95","","","","","","","","","6","P -1","-P 1","2","","Venetoclax","","- C59 H66 Cl N7 O13 S3 -","- C59 H66 Cl N7 O13 S3 -","- C118 H132 Cl2 N14 O26 S6 -","2","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","1.54184","CuKα","","0.0511","0.0472","","0.1379","0.1351","0.1374","","","","","","0.9078","","","","has coordinates","298867","2025-04-05","02:42:50",""
"7249960","3.5587","0.0001","17.1844","0.0006","10.0828","0.0004","90","","94.393","0.003","90","","614.79","0.04","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N12 O4 -","- C6 H12 N12 O4 -","- C12 H24 N24 O8 -","2","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54178","CuKα","","0.0477","0.0383","","","0.097","0.1018","","","","","","1.123","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249961","3.4551","0.0003","14.0564","0.0009","9.0385","0.0006","90","","93.842","0.006","90","","437.98","0.06","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N8 O4 -","- C4 H8 N8 O4 -","- C8 H16 N16 O8 -","2","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54178","CuKα","","0.0522","0.0436","","","0.1114","0.1182","","","","","","1.03","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249962","3.981","0.0002","26.2212","0.0013","11.0929","0.0005","90","","98.702","0.003","90","","1144.62","0.1","213.15","","213.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N10 O4 -","- C6 H10 N10 O4 -","- C24 H40 N40 O16 -","4","1","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54184","CuKα","","0.059","0.0409","","","0.1045","0.1155","","","","","","1.027","","","","has coordinates,has disorder","298842","2025-04-05","02:35:28",""
"7249963","10.4988","0.0004","13.0416","0.0005","11.0271","0.0005","90","","103.205","0.002","90","","1469.92","0.1","223.15","","223.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 Cl N10 O8 -","- C6 H11 Cl N10 O8 -","- C24 H44 Cl4 N40 O32 -","4","1","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","0.71073","MoKα","","0.0631","0.0453","","","0.1152","0.1353","","","","","","1.049","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249964","3.6169","0.0018","7.881","0.003","9.865","0.005","109.743","0.019","97.4","0.02","101.86","0.02","253","0.2","233","","233","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N10 O4 -","- C4 H10 N10 O4 -","- C4 H10 N10 O4 -","1","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54178","CuKα","","0.1036","0.0486","","","0.1188","0.1469","","","","","","0.944","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249965","3.6899","0.0007","13.747","0.003","9.3323","0.0013","90","","95.909","0.01","90","","470.87","0.15","233","","233","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N8 O6 -","- C4 H8 N8 O6 -","- C8 H16 N16 O12 -","2","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","0.71073","MoKα","","0.0799","0.0689","","","0.1864","0.1925","","","","","","1.097","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249966","3.4526","0.0001","14.093","0.0006","9.0501","0.0004","90","","94.007","0.003","90","","439.28","0.03","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N6 O6 -","- C4 H6 N6 O6 -","- C8 H12 N12 O12 -","2","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54178","CuKα","","0.0487","0.044","","","0.1207","0.1254","","","","","","1.102","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249967","19.6125","0.0016","5.5243","0.0004","8.0101","0.0007","90","","90.068","0.003","90","","867.86","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Cd Cl2 N2 -","- C12 H30 Cd Cl2 N2 -","- C24 H60 Cd2 Cl4 N4 -","2","0.5","","Parthiban, Pavithra; Makhija, Urmila; Pratham, Rachit; Swain, Diptikanta; Nag, Angshuman","Covalent organic–inorganic layered 2D CdCl2(n-hexylamine)2 and not Cd2S2(n-hexylamine)","CrystEngComm","2025","27","13","2004","2011","10.1039/D5CE00011D","","","0.71073","MoKα","","0.0584","0.0417","","","0.0939","0.1016","","","","","","1.047","","","","has coordinates","298834","2025-04-05","02:33:55",""
"7249968","6.8046","0.0002","8.8154","0.0003","10.4843","0.0004","88.304","0.001","88.304","0.002","69.875","0.003","590.12","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","Darifenacin hydrate","","","- C28 H31.27 N2 O2.64 -","- C28 H31.274 N2 O2.637 -","- C28 H31.274 N2 O2.637 -","1","1","","Nowak, Przemysław; Pietrzak, Anna; Dudek, Marta K.","Understanding the stability of the amorphous form of darifenacin","CrystEngComm","2025","27","13","1927","1938","10.1039/D4CE01257G","","","1.54184","CuKα","","0.0372","0.0357","","","0.091","0.0922","","","","","","1.065","","","","has coordinates","298841","2025-04-05","02:35:18",""
"7249969","12.2363","0.0001","8.7874","0.0001","14.0356","0.0002","90","","113.022","0.001","90","","1388.98","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","darifenacin solvate with toluene","","","- C35 H38 N2 O2 -","- C35 H38 N2 O2 -","- C70 H76 N4 O4 -","2","1","","Nowak, Przemysław; Pietrzak, Anna; Dudek, Marta K.","Understanding the stability of the amorphous form of darifenacin","CrystEngComm","2025","27","13","1927","1938","10.1039/D4CE01257G","","","1.54184","CuKα","","0.0501","0.0446","","","0.095","0.0971","","","","","","1.066","","","","has coordinates,has disorder","298841","2025-04-05","02:35:18",""
"7249970","12.9596","0.0004","13.7413","0.0003","25.0477","0.0007","100.909","0.002","95.649","0.002","114.947","0.003","3890.9","0.2","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C78 H64 Dy F9 N7 O14 P3 S3 -","- C78 H64 Dy F9 N7 O14 P3 S3 -","- C156 H128 Dy2 F18 N14 O28 P6 S6 -","2","1","","Kopotkov, Vyacheslav A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Korchagin, Denis V.; Zhidkov, Mikhail V.; Dmitriev, Alexei I.; Mahmoudi, Ghodrat; Yagubskii, Eduard B.","Mononuclear complexes of dysprosium(iii) with 2,6-diacetylpyridine bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties","CrystEngComm","2025","27","13","2012","2024","10.1039/D5CE00066A","","x-ray","0.71073","MoKα","","0.0666","0.0412","","","0.0838","0.0917","","","","","","1.003","","","","has coordinates,has disorder","298840","2025-04-05","02:35:09",""
"7249971","12.8264","0.0003","23.1597","0.0007","25.9044","0.0006","108.328","0.002","98.49","0.002","98.959","0.002","7055.2","0.3","120","1","120","1","","","","","","","","8","P -1","-P 1","2","","","","- C59 H84 Dy F6 N7 O10 P2 S2 -","- C59 H84 Dy F6 N7 O10 P2 S2 -","- C236 H336 Dy4 F24 N28 O40 P8 S8 -","4","2","","Kopotkov, Vyacheslav A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Korchagin, Denis V.; Zhidkov, Mikhail V.; Dmitriev, Alexei I.; Mahmoudi, Ghodrat; Yagubskii, Eduard B.","Mononuclear complexes of dysprosium(iii) with 2,6-diacetylpyridine bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties","CrystEngComm","2025","27","13","2012","2024","10.1039/D5CE00066A","","x-ray","0.71073","MoKα","","0.101","0.0611","","","0.1279","0.1651","","","","","","1.173","","","","has coordinates,has disorder","298840","2025-04-05","02:35:10",""
"7249972","44.0135","0.0004","33.1845","0.0003","18.0566","0.0002","90","","93.1764","0.0007","90","","26332.3","0.4","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C117 H167 Dy2 F9 N14 O17 P4 S3 -","- C117 H167 Dy2 F9 N14 O17 P4 S3 -","- C936 H1336 Dy16 F72 N112 O136 P32 S24 -","8","1","","Kopotkov, Vyacheslav A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Korchagin, Denis V.; Zhidkov, Mikhail V.; Dmitriev, Alexei I.; Mahmoudi, Ghodrat; Yagubskii, Eduard B.","Mononuclear complexes of dysprosium(iii) with 2,6-diacetylpyridine bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties","CrystEngComm","2025","27","13","2012","2024","10.1039/D5CE00066A","","x-ray","0.71073","MoKα","","0.0559","0.0432","","","0.1042","0.1151","","","","","","1.09","","","","has coordinates,has disorder","298840","2025-04-05","02:35:10",""
"7249973","13.80326","0.00014","17.08518","0.00016","31.85","0.0003","99.0853","0.0008","94.0652","0.0008","91.2834","0.0008","7394.03","0.13","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C77 H72.8 Cl2 Dy N7 O15.9 P3 -","- C77 H69 Cl2 Dy N7 O15.9 P3 -","- C308 H276 Cl8 Dy4 N28 O63.6 P12 -","4","2","","Kopotkov, Vyacheslav A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Korchagin, Denis V.; Zhidkov, Mikhail V.; Dmitriev, Alexei I.; Mahmoudi, Ghodrat; Yagubskii, Eduard B.","Mononuclear complexes of dysprosium(iii) with 2,6-diacetylpyridine bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties","CrystEngComm","2025","27","13","2012","2024","10.1039/D5CE00066A","","x-ray","0.71073","MoKα","","0.0521","0.0411","","","0.0964","0.103","","","","","","1.007","","","","has coordinates,has disorder","298840","2025-04-05","02:35:10",""
"7249974","13.8538","0.0003","17.5673","0.0004","13.8398","0.0003","90","","96.191","0.002","90","","3348.6","0.13","299.8","0.1","299.8","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H38 Br10 N6 O Pb2 -","- C12 H38 Br10 N6 O Pb2 -","- C48 H152 Br40 N24 O4 Pb8 -","4","1","","Fan, Chang-Chun; Fang, Zi-Han; Jiao, Shu-Lin; Yu, Jing-Xue; Liu, Cheng-Dong; Wang, Wei; Jin, Ming-Liang; Liang, Bei-Dou; Han, Xiang-Bin","Enhanced luminescence in 1D corrugated lead bromides via reduced flexibility of trivalent cations","CrystEngComm","2025","27","13","1997","2003","10.1039/D5CE00003C","","x-ray","0.71073","MoKα","","0.0912","0.0516","","","0.0813","0.0889","","","","","","1.067","","","","has coordinates","298836","2025-04-05","02:34:12",""
"7249975","10.2495","0.0002","8.7968","0.0002","10.3341","0.0002","90","","101.902","0.001","90","","911.72","0.03","282","","282","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H22 Br5 N3 O Pb -","- C7 H22 Br5 N3 O Pb -","- C14 H44 Br10 N6 O2 Pb2 -","2","0.5","","Fan, Chang-Chun; Fang, Zi-Han; Jiao, Shu-Lin; Yu, Jing-Xue; Liu, Cheng-Dong; Wang, Wei; Jin, Ming-Liang; Liang, Bei-Dou; Han, Xiang-Bin","Enhanced luminescence in 1D corrugated lead bromides via reduced flexibility of trivalent cations","CrystEngComm","2025","27","13","1997","2003","10.1039/D5CE00003C","","","1.54178","CuKα","","0.0322","0.0301","","","0.0661","0.067","","","","","","1.099","","","","has coordinates,has disorder","298836","2025-04-05","02:34:12",""
"7249976","6.9591","0.0009","6.8466","0.0008","8.0046","0.001","90","","115.264","0.004","90","","344.91","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H K N O4 -","- H K N O4 -","- H4 K4 N4 O16 -","4","1","","Medvedev, Alexander G.; Mel'nik, Elena A.; Mikhaylov, Alexey A.; Mayorov, Nikita S.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.; Churakov, Andrei V.","Hydrogen bonding of H2O2 molecules in crystal structures of alkali metal and tetraethylammonium nitrate peroxosolvates","CrystEngComm","2025","27","13","1896","1903","10.1039/D4CE01109K","","","0.71073","MoKα","","0.0156","0.0149","","","0.0366","0.0369","","","","","","1.133","","","","has coordinates","298838","2025-04-05","02:34:33",""
"7249977","12.1429","0.0011","12.8212","0.0011","10.9801","0.0009","90","","90","","90","","1709.5","0.3","120","2","120","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- H4 N2 O9 Rb2 -","- H4 N2 O9 Rb2 -","- H32 N16 O72 Rb16 -","8","0.5","","Medvedev, Alexander G.; Mel'nik, Elena A.; Mikhaylov, Alexey A.; Mayorov, Nikita S.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.; Churakov, Andrei V.","Hydrogen bonding of H2O2 molecules in crystal structures of alkali metal and tetraethylammonium nitrate peroxosolvates","CrystEngComm","2025","27","13","1896","1903","10.1039/D4CE01109K","","","0.71073","MoKα","","0.0602","0.036","","","0.0668","0.0735","","","","","","1.079","","","","has coordinates,has disorder","298838","2025-04-05","02:34:33",""
"7249978","6.705","0.0003","8.1533","0.0003","7.216","0.0002","90","","92.7189","0.0013","90","","394.04","0.03","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H N O4 Rb -","- H N O4 Rb -","- H4 N4 O16 Rb4 -","4","1","","Medvedev, Alexander G.; Mel'nik, Elena A.; Mikhaylov, Alexey A.; Mayorov, Nikita S.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.; Churakov, Andrei V.","Hydrogen bonding of H2O2 molecules in crystal structures of alkali metal and tetraethylammonium nitrate peroxosolvates","CrystEngComm","2025","27","13","1896","1903","10.1039/D4CE01109K","","","0.71073","MoKα","","0.0167","0.0145","","","0.0303","0.0309","","","","","","1.085","","","","has coordinates","298838","2025-04-05","02:34:33",""
"7249979","12.3185","0.0004","14.6896","0.0005","15.1162","0.0005","90","","90","","90","","2735.33","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H24 N2 O7 -","- C8 H24 N2 O7 -","- C64 H192 N16 O56 -","8","1","","Medvedev, Alexander G.; Mel'nik, Elena A.; Mikhaylov, Alexey A.; Mayorov, Nikita S.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.; Churakov, Andrei V.","Hydrogen bonding of H2O2 molecules in crystal structures of alkali metal and tetraethylammonium nitrate peroxosolvates","CrystEngComm","2025","27","13","1896","1903","10.1039/D4CE01109K","","","0.71073","MoKα","","0.0413","0.0346","","","0.0856","0.0896","","","","","","1.039","","","","has coordinates","298838","2025-04-05","02:34:33",""
"7249980","10.8713","0.0004","11.0969","0.0004","12.3276","0.0005","106.376","0.001","108.671","0.001","105.367","0.001","1244.23","0.08","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H40 Al Mo6 N14 O38 Zn2 -","- C18 H40 Al Mo6 N14 O38 Zn2 -","- C18 H40 Al Mo6 N14 O38 Zn2 -","1","0.5","","Zu, Zhi-fei; Liang, Ju-ju; Chang, Zhi-han; Lin, Yu-chun; Wang, Xiu-li","Triazole-derivatized ligand-directed diverse structures and polyaniline-assisted capacitive performances of two new Anderson-type [AlMo6(OH)6O18]3−-based metal–organic complexes","CrystEngComm","2025","27","13","1904","1909","10.1039/D5CE00049A","","x-ray","0.71073","MoKα","K-L~3~","0.0274","0.025","","","0.0652","0.0676","","","","","","1.051","","","","has coordinates","298835","2025-04-05","02:34:03",""
"7249981","19.3291","0.0006","18.9664","0.0005","15.4974","0.0004","90","","90","","90","","5681.4","0.3","296.15","","296.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C16 H40 Al Mo6 N16 O38 Zn2 -","- C16 H40 Al Mo6 N16 O38 Zn2 -","- C64 H160 Al4 Mo24 N64 O152 Zn8 -","4","0.5","","Zu, Zhi-fei; Liang, Ju-ju; Chang, Zhi-han; Lin, Yu-chun; Wang, Xiu-li","Triazole-derivatized ligand-directed diverse structures and polyaniline-assisted capacitive performances of two new Anderson-type [AlMo6(OH)6O18]3−-based metal–organic complexes","CrystEngComm","2025","27","13","1904","1909","10.1039/D5CE00049A","","x-ray","0.71073","MoKα","K-L~3~","0.0382","0.0295","","","0.0721","0.0798","","","","","","1.074","","","","has coordinates","298835","2025-04-05","02:34:04",""
"7249982","15.5236","0.0005","7.6804","0.0002","18.3531","0.0005","90","","114.761","0.001","90","","1987.02","0.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.0584","0.0463","","","0.1238","0.1343","","","","","","1.058","","","","has coordinates,has disorder","298862","2025-04-05","02:41:33",""
"7249983","7.2804","0.0005","13.7782","0.001","15.2825","0.0011","106.655","0.002","92.239","0.002","103.923","0.002","1415.88","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H56 Cd N2 O7 -","- C70 H56 Cd N2 O7 -","- C70 H56 Cd N2 O7 -","1","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.086","0.0842","","","0.2503","0.2528","","","","","","1.123","","","","has coordinates","298862","2025-04-05","02:41:33",""
"7249984","15.144","0.004","14.803","0.005","15.759","0.004","90","","109.241","0.011","90","","3335.5","1.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H64 Cd N2 O6 -","- C86 H64 Cd N2 O6 -","- C172 H128 Cd2 N4 O12 -","2","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.0463","0.0372","","","0.0953","0.1027","","","","","","1.094","","","","has coordinates","298862","2025-04-05","02:41:33",""
"7249985","14.4148","0.0004","15.8764","0.0005","16.3965","0.0005","61.05","0.002","75.044","0.003","63.886","0.005","2943.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C154 H112 Cd2 N4 O10 -","- C154 H112 Cd2 N4 O10 -","- C154 H112 Cd2 N4 O10 -","1","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.0446","0.0317","","","0.0755","0.0903","","","","","","1.11","","","","has coordinates","298862","2025-04-05","02:41:33",""
"7249986","20.408","0.006","27.538","0.009","22.646","0.004","90","","112.654","0.008","90","","11745","6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C152 H104 Cd2 N4 O8 -","- C152 H104 Cd2 N4 O8 -","- C608 H416 Cd8 N16 O32 -","4","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.0524","0.0395","","","0.0873","0.0943","","","","","","1.08","","","","has coordinates,has disorder","298862","2025-04-05","02:41:33",""
"7249987","5.9191","0.0003","19.067","0.0007","9.0123","0.0005","90","","90","","90","","1017.12","0.09","298.01","0.1","298.01","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H20 Br2 N2 O2 -","- C20 H20 Br2 N2 O2 -","- C40 H40 Br4 N4 O4 -","2","0.5","","Shen, Xin; Qi, Jun-Chao; Peng, Hang; Xia, Zhang-Tian; Bai, Yong-Ju; Chen, Hui-Ping; Wang, Zhen-Yu; Yang, Tian-En; Qin, Yan; Liao, Wei-Qiang","A photoluminescent second-order nonlinear optical molecular crystal with cold crystallization","CrystEngComm","2025","27","10","1381","1385","10.1039/D4CE01322K","","x-ray","1.54184","CuKα","","0.0936","0.073","","","0.1547","0.1621","","","","","","1.154","","","","has coordinates","298227","2025-03-04","19:55:09",""
"7249988","5.9248","0.0001","19.0854","0.0003","9.0135","0.0001","90","","90","","90","","1019.22","0.03","297.9","0.1","297.9","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H20 Br2 N2 O2 -","- C20 H20 Br2 N2 O2 -","- C40 H40 Br4 N4 O4 -","2","0.5","","Shen, Xin; Qi, Jun-Chao; Peng, Hang; Xia, Zhang-Tian; Bai, Yong-Ju; Chen, Hui-Ping; Wang, Zhen-Yu; Yang, Tian-En; Qin, Yan; Liao, Wei-Qiang","A photoluminescent second-order nonlinear optical molecular crystal with cold crystallization","CrystEngComm","2025","27","10","1381","1385","10.1039/D4CE01322K","","x-ray","1.54184","CuKα","","0.0457","0.0435","","","0.1217","0.1243","","","","","","1.07","","","","has coordinates","298227","2025-03-04","19:55:12",""
"7249989","5.9364","0.0002","19.0616","0.0008","9.0086","0.0003","90","","90","","90","","1019.39","0.06","297.98","0.1","297.98","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H20 Br2 N2 O2 -","- C20 H20 Br2 N2 O2 -","- C40 H40 Br4 N4 O4 -","2","0.5","","Shen, Xin; Qi, Jun-Chao; Peng, Hang; Xia, Zhang-Tian; Bai, Yong-Ju; Chen, Hui-Ping; Wang, Zhen-Yu; Yang, Tian-En; Qin, Yan; Liao, Wei-Qiang","A photoluminescent second-order nonlinear optical molecular crystal with cold crystallization","CrystEngComm","2025","27","10","1381","1385","10.1039/D4CE01322K","","x-ray","1.54184","CuKα","","0.0731","0.0678","","","0.1912","0.1978","","","","","","1.081","","","","has coordinates","298227","2025-03-04","19:55:17",""
"7249990","17.739","0.002","5.4252","0.0006","12.7285","0.0016","90","","95.676","0.005","90","","1219","0.2","298","2","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O2 -","- C17 H12 O2 -","- C68 H48 O8 -","4","1","","Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.","Sustainable construction of value-added naphthoquinones for pharmaceuticals","Green Chemistry","2025","27","13","3465","3476","10.1039/D4GC06053A","","","0.71073","MoKα","","0.0571","0.0473","","","0.1277","0.1332","","","","","","1.073","","","","has coordinates","301009","2025-07-06","17:21:27",""
"7249991","5.4268","0.0001","10.2243","0.0002","22.7209","0.0005","90","","94.593","0.002","90","","1256.63","0.04","298.7","","298.7","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O2 -","- C17 H12 O2 -","- C68 H48 O8 -","4","1","","Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.","Sustainable construction of value-added naphthoquinones for pharmaceuticals","Green Chemistry","2025","27","13","3465","3476","10.1039/D4GC06053A","","x-ray","0.71073","MoKα","","0.0563","0.0447","","","0.1166","0.1265","","","","","","1.068","","","","has coordinates","301009","2025-07-06","17:21:27",""
"7249992","19.0585","0.0016","5.6006","0.0005","13.1682","0.0009","90","","104.843","0.003","90","","1358.66","0.19","298","2","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C72 H56 O12 -","4","1","","Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.","Sustainable construction of value-added naphthoquinones for pharmaceuticals","Green Chemistry","2025","27","13","3465","3476","10.1039/D4GC06053A","","","0.71073","MoKα","","0.1783","0.0613","","","0.1412","0.1622","","","","","","0.976","","","","has coordinates","301009","2025-07-06","17:21:27",""
"7249993","15.4575","0.0011","7.5249","0.0006","21.8542","0.0018","90","","93.64","0.003","90","","2536.9","0.3","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 F O2 -","- C17 H11 F O2 -","- C136 H88 F8 O16 -","8","1","","Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.","Sustainable construction of value-added naphthoquinones for pharmaceuticals","Green Chemistry","2025","27","13","3465","3476","10.1039/D4GC06053A","","","0.71073","MoKα","","0.1541","0.063","","","0.1507","0.1642","","","","","","1.099","","","","has coordinates","301009","2025-07-06","17:21:27",""
"7249994","4.9955","0.0002","5.9148","0.0003","11.7073","0.0007","103.743","0.002","98.978","0.002","97.252","0.002","327.06","0.03","298","2","298","","","","","","","","","4","P 1","P 1","1","","","","- C17 H11 Cl O2 -","- C17 H11 Cl O2 -","- C17 H11 Cl O2 -","1","1","","Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.","Sustainable construction of value-added naphthoquinones for pharmaceuticals","Green Chemistry","2025","27","13","3465","3476","10.1039/D4GC06053A","","","0.71073","MoKα","","0.0446","0.0375","","","0.0858","0.088","","","","","","1.021","","","","has coordinates","301009","2025-07-06","17:21:27",""
"7249995","6.8522","0.0005","12.7911","0.0011","15.3647","0.0012","94.719","0.003","102.333","0.003","90.643","0.003","1310.56","0.18","301","2","301","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H31 O6 -","- C32 H31 O6 -","- C64 H62 O12 -","2","1","","Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.","Sustainable construction of value-added naphthoquinones for pharmaceuticals","Green Chemistry","2025","27","13","3465","3476","10.1039/D4GC06053A","","","0.71073","MoKα","","0.1185","0.0795","","","0.231","0.2523","","","","","","1.079","","","","has coordinates","301009","2025-07-06","17:21:27",""
"7250001","12.0714","0.0005","21.4513","0.0008","6.257","0.0002","90","","90","","90","","1620.23","0.1","140","1","140","1","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C17 H10 B F7 N2 -","- C17 H10 B F7 N2 -","- C68 H40 B4 F28 N8 -","4","0.5","","Żubertowski, Jakub; Rapp, Magdalena; Dolicher, Jan; Rubiś, Błażej; Dembska, Anna","Investigation of simple BODIPY dyes as G-quadruplex recognizing ligands.","RSC advances","2025","15","7","5220","5231","10.1039/d4ra08464k","","x-ray","1.54184","CuKα","","0.0459","0.0443","","","0.1194","0.1207","","","","","","1.091","","","","has coordinates","297802","2025-02-20","02:46:16",""
"7250002","11.2755","0.0005","12.5603","0.0005","14.1747","0.0006","88.076","0.003","75.092","0.004","86.99","0.003","1936.81","0.15","114.9","0.1","114.9","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C44 H40 B Cu F4 N4 O P2 -","- C44 H40 B Cu F4 N4 O P2 -","- C88 H80 B2 Cu2 F8 N8 O2 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","x-ray","0.71073","MoKα","","0.0511","0.0411","","","0.0952","0.1016","","","","","","1.075","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250003","11.9345","0.0011","13.5182","0.0012","13.6237","0.0012","85.59","0.003","82.487","0.002","88.594","0.004","2172.4","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H40 B Cu F4 N6 O P2 -","- C46 H40 B Cu F4 N6 O P2 -","- C92 H80 B2 Cu2 F8 N12 O2 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.0923","0.0545","","","0.1367","0.156","","","","","","0.961","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250004","20.228","0.002","21.227","0.002","19.952","0.002","90","","99.407","0.003","90","","8451.8","1.4","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C88 H72 Cu2 F6 N8 O6 P4 S2 -","- C88 H72 Cu2 F6 N8 O6 P4 S2 -","- C352 H288 Cu8 F24 N32 O24 P16 S8 -","4","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.2659","0.1874","","","0.3599","0.3849","","","","","","1.09","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250005","11.51","0.0011","12.721","0.0013","14.1767","0.0012","90.485","0.002","104.934","0.003","91.579","0.002","2004.6","0.3","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Cu I N4 P2 -","- C43 H36 Cu I N4 P2 -","- C86 H72 Cu2 I2 N8 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.0873","0.0646","","","0.1746","0.1884","","","","","","0.9438","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250006","11.9207","0.0011","13.9365","0.0012","13.9818","0.0013","86.078","0.003","82.12","0.002","87.814","0.003","2294.5","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H40 Cu F3 N6 O4 P2 S -","- C47 H40 Cu F3 N6 O4 P2 S -","- C94 H80 Cu2 F6 N12 O8 P4 S2 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.0926","0.057","","","0.1486","0.1685","","","","","","1.013","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250007","11.6848","0.0011","12.8101","0.0012","14.4714","0.0013","88.363","0.003","74.601","0.002","88.134","0.003","2086.8","0.3","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H40 Cl Cu N4 O5 P2 -","- C44 H40 Cl Cu N4 O5 P2 -","- C88 H80 Cl2 Cu2 N8 O10 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.1359","0.0867","","","0.2126","0.2433","","","","","","0.934","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250008","11.8666","0.0001","13.4149","0.0002","13.5834","0.0002","85.487","0.001","82.21","0.001","88.53","0.001","2135.49","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H40 Cl Cu N6 O5 P2 -","- C46 H40 Cl Cu N6 O5 P2 -","- C92 H80 Cl2 Cu2 N12 O10 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","x-ray","1.54184","CuKα","","0.0369","0.035","","","0.0994","0.1007","","","","","","1.027","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250009","13.0654","0.0007","16.2881","0.001","21.3823","0.0012","90","","99.09","0.002","90","","4493.2","0.4","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Cu I N6 O3 P2 -","- C47 H44 Cu I N6 O2 P2 -","- C188 H176 Cu4 I4 N24 O8 P8 -","4","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.0435","0.0326","","","0.077","0.0858","","","","","","1.055","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250010","7.1699","0.0013","10.43","0.002","15.039","0.003","80.809","0.008","89.29","0.007","78.757","0.008","1088.7","0.4","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 F2 N3 O2 -","- C23 H27 F2 N3 O2 -","- C46 H54 F4 N6 O4 -","2","1","","liu, Xiaohan; zhou, bin; Chen, Yan; lin, Jinyuan; shao, Chenwen; Chen, Liuzeng; Ruan, Banfeng; zhang, xingxing; Qian, Yong","Design, synthesis of 2-phenyl-1H-benzo[d]imidazole derivatives as 17β-HSD10 inhibitor for the treatment of Alzheimer's Disease","RSC Medicinal Chemistry","2025","","","","","10.1039/D4MD00861H","","","0.71073","MoKα","","0.0711","0.0479","","","0.1155","0.1373","","","","","","1.035","","","","has coordinates","297832","2025-02-22","00:56:05",""
"7250011","7.1923","0.0007","12.7507","0.0011","15.16","0.0014","90","","90","","90","","1390.3","0.2","223","","223","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","liu, Xiaohan; zhou, bin; Chen, Yan; lin, Jinyuan; shao, Chenwen; Chen, Liuzeng; Ruan, Banfeng; zhang, xingxing; Qian, Yong","Design, synthesis of 2-phenyl-1H-benzo[d]imidazole derivatives as 17β-HSD10 inhibitor for the treatment of Alzheimer's Disease","RSC Medicinal Chemistry","2025","","","","","10.1039/D4MD00861H","","","1.54178","CuKα","","0.0365","0.0325","","","0.0813","0.0842","","","","","","1.059","","","","has coordinates","297832","2025-02-22","00:56:07",""
"7250012","13.9025","0.001","13.729","0.001","15.9725","0.001","90","","98.472","0.003","90","","3015.4","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N3 S -","- C10 H13 N3 S -","- C120 H156 N36 S12 -","12","3","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0563","0.0428","","","0.1257","0.131","","","","","","1.103","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250013","14.1073","0.0011","13.0293","0.001","9.4999","0.0008","90","","94.478","0.003","90","","1740.8","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O S -","- C19 H21 N3 O S -","- C76 H84 N12 O4 S4 -","4","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0628","0.0415","","","0.0987","0.111","","","","","","1.021","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250014","8.5839","0.0003","19.2383","0.0008","21.3179","0.0009","90","","90","","90","","3520.4","0.2","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H20 F N3 O S -","- C19 H20 F N3 O S -","- C152 H160 F8 N24 O8 S8 -","8","2","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0483","0.0395","","","0.0867","0.0921","","","","","","1.029","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250015","8.2226","0.0005","7.7209","0.0005","14.3343","0.0011","90","","94.293","0.003","90","","907.47","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N3 S -","- C9 H11 N3 S -","- C36 H44 N12 S4 -","4","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0467","0.0371","","","0.0997","0.1028","","","","","","1.089","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250016","7.776","0.0007","8.2126","0.0007","10.8516","0.001","86.364","0.003","69.904","0.003","88.495","0.003","649.49","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N3 S -","- C15 H15 N3 S -","- C30 H30 N6 S2 -","2","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0381","0.0364","","","0.0987","0.1002","","","","","","1.076","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250017","11.2278","0.0005","9.733","0.0004","13.8833","0.0005","90","","110.469","0.002","90","","1421.38","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 S -","- C16 H17 N3 S -","- C64 H68 N12 S4 -","4","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0641","0.0483","","","0.1367","0.142","","","","","","1.146","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250018","16.9149","0.0012","9.8296","0.0006","16.9361","0.0012","90","","118.803","0.003","90","","2467.5","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 O4 S3 -","- C26 H21 N3 O4 S3 -","- C104 H84 N12 O16 S12 -","4","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.078","0.0506","","","0.1194","0.1269","","","","","","1.055","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250019","16.8994","0.0007","17.1783","0.0008","17.8101","0.0008","61.569","0.002","79.57","0.002","88.952","0.002","4457.8","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N3 S -","- C11 H15 N3 S -","- C176 H240 N48 S16 -","16","8","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0506","0.0426","","","0.102","0.1073","","","","","","1.053","","","","has coordinates,has disorder","298848","2025-04-05","02:36:49",""
"7250020","8.8372","0.0003","26.8331","0.0012","7.5381","0.0003","90","","94.605","0.003","90","","1781.74","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 O4 -","- C21 H15 N3 O4 -","- C84 H60 N12 O16 -","4","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.0663","0.0455","","","0.0936","0.1048","","","","","","1.033","","","","has coordinates","298854","2025-04-05","02:38:09",""
"7250021","17.3238","0.0003","18.1345","0.0004","18.2145","0.0004","87.982","0.002","83.51","0.002","77.24","0.002","5544.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H86 Ce2 N18 O25 -","- C126 H86 Ce2 N18 O25 -","- C252 H172 Ce4 N36 O50 -","2","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.0645","0.0418","","","0.0791","0.0914","","","","","","1.045","","","","has coordinates","298854","2025-04-05","02:38:10",""
"7250022","17.1864","0.0003","18.0738","0.0004","18.1622","0.0004","87.955","0.002","83.642","0.002","77.387","0.002","5471.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H86 Eu2 N18 O25 -","- C126 H86 Eu2 N18 O25 -","- C252 H172 Eu4 N36 O50 -","2","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.0569","0.0338","","","0.0559","0.0614","","","","","","0.978","","","","has coordinates","298854","2025-04-05","02:38:10",""
"7250023","17.1488","0.0009","18.0395","0.0012","18.1496","0.0011","87.998","0.005","83.599","0.005","77.479","0.005","5446.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H86 Gd2 N18 O25 -","- C126 H86 Gd2 N18 O25 -","- C252 H172 Gd4 N36 O50 -","2","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.1131","0.0533","","","0.063","0.0775","","","","","","0.835","","","","has coordinates","298854","2025-04-05","02:38:10",""
"7250024","18.0208","0.0004","18.139","0.0004","35.215","0.0009","82.461","0.002","77.237","0.002","88.009","0.002","11129.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C252 H174 N36 O51 Tb4 -","- C252 H174 N36 O51 Tb4 -","- C504 H348 N72 O102 Tb8 -","2","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.1041","0.077","","","0.1659","0.1808","","","","","","1.082","","","","has coordinates,has disorder","298854","2025-04-05","02:38:10",""
"7250025","9.919","0.0002","18.6995","0.0004","14.2034","0.0003","90","","91.711","0.002","90","","2633.28","0.1","95","","95","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H38 N2 O2 -","- C31 H38 N2 O2 -","- C124 H152 N8 O8 -","4","2","","Koryťáková, Adéla; Chatziadi, Argyro; Rohlíček, Jan; Zmeškalová, Eliška; Beránek, Josef; Šoóš, Miroslav","Stability study and structural insights into cannabidiol cocrystals","CrystEngComm","2025","27","14","2154","2165","10.1039/D4CE01314J","","","1.54184","CuKα","","0.0678","0.0585","","0.1573","0.1533","0.1573","","","","","","0.9309","","","","has coordinates","298853","2025-04-05","02:37:49",""
"7250026","8.9467","0.0001","16.7061","0.0003","32.6593","0.0005","90","","90","","90","","4881.4","0.13","95","","95","","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C26 H39 N O4 -","- C26 H39 N O4 -","- C208 H312 N8 O32 -","8","2","","Koryťáková, Adéla; Chatziadi, Argyro; Rohlíček, Jan; Zmeškalová, Eliška; Beránek, Josef; Šoóš, Miroslav","Stability study and structural insights into cannabidiol cocrystals","CrystEngComm","2025","27","14","2154","2165","10.1039/D4CE01314J","","","1.54184","CuKα","","0.0482","0.0446","","0.1137","0.1115","0.1137","","","","","","1.0315","","","","has coordinates","298853","2025-04-05","02:37:49",""
"7250027","20.0237","0.0006","17.0222","0.0005","8.20215","0.00019","90","","90","","90","","2795.68","0.13","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H45 N O5 -","- C28 H45 N O5 -","- C112 H180 N4 O20 -","4","1","","Koryťáková, Adéla; Chatziadi, Argyro; Rohlíček, Jan; Zmeškalová, Eliška; Beránek, Josef; Šoóš, Miroslav","Stability study and structural insights into cannabidiol cocrystals","CrystEngComm","2025","27","14","2154","2165","10.1039/D4CE01314J","powder diffraction","x-ray","1.54187","CuKα","","0.0699","0.0675","","0.0805","0.0803","","","","4.6825","","","","","","","has coordinates","298853","2025-04-05","02:37:49",""
"7250028","9.6215","0.0004","10.7098","0.0004","29.8886","0.0012","90","","90","","90","","3079.9","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5R)-Bis(diphenyldioxymethyl)-2-spiro-1'-cyclohexane-1,3-dioxane","","- C39 H39 N O4 -","- C39 H39 N O4 -","- C156 H156 N4 O16 -","4","1","","Recchia, Daniella L.; Barton, Benita; Hosten, Eric C.","Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound","CrystEngComm","2025","27","13","1960","1976","10.1039/D5CE00111K","","","0.71073","MoKα","","0.0568","0.046","","","0.0907","0.0972","","","","","","1.116","","","","has coordinates","298839","2025-04-05","02:34:46",""
"7250029","9.3267","0.0009","9.9858","0.001","18.1928","0.0019","81.945","0.004","78.493","0.004","87.89","0.004","1643.9","0.3","200","2","200","2","","","","","","","","4","P 1","P 1","1","","(4R,5R)-Bis(diphenyldioxymethyl)-2-spiro-1'-cyclohexane-1,3-dioxane","","- C40 H41 N O4 -","- C40 H41 N O4 -","- C80 H82 N2 O8 -","2","2","","Recchia, Daniella L.; Barton, Benita; Hosten, Eric C.","Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound","CrystEngComm","2025","27","13","1960","1976","10.1039/D5CE00111K","","","0.71073","MoKα","","0.0585","0.0466","","","0.1032","0.1167","","","","","","1.127","","","","has coordinates","298839","2025-04-05","02:34:46",""
"7250030","9.3884","0.0004","34.6497","0.0013","10.1379","0.0004","90","","92.6305","0.0017","90","","3294.4","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,5R)-Bis(diphenyldioxymethyl)-2-spiro-1'-cyclohexane-1,3-dioxane","","- C40 H41 N O4 -","- C40 H41 N O4 -","- C160 H164 N4 O16 -","4","2","","Recchia, Daniella L.; Barton, Benita; Hosten, Eric C.","Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound","CrystEngComm","2025","27","13","1960","1976","10.1039/D5CE00111K","","","0.71073","MoKα","","0.0431","0.0423","","","0.1135","0.1142","","","","","","1.068","","","","has coordinates,has disorder","298839","2025-04-05","02:34:46",""
"7250031","9.5704","0.0006","9.8658","0.0005","17.3649","0.001","97.408","0.002","100.565","0.002","90.588","0.002","1597.37","0.16","200","2","200","2","","","","","","","","4","P 1","P 1","1","","(4R,5R)-Bis(diphenyldioxymethyl)-2-spiro-1'-cyclohexane-1,3-dioxane","","- C40 H41 N O4 -","- C40 H41 N O4 -","- C80 H82 N2 O8 -","2","2","","Recchia, Daniella L.; Barton, Benita; Hosten, Eric C.","Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound","CrystEngComm","2025","27","13","1960","1976","10.1039/D5CE00111K","","","0.71073","MoKα","","0.0458","0.0381","","","0.0794","0.0844","","","","","","1.059","","","","has coordinates","298839","2025-04-05","02:34:46",""
"7250032","8.5467","0.0004","9.5605","0.0005","13.016","0.0007","93.461","0.005","95.913","0.004","111.472","0.005","978.93","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 F3 I3 N2 O2 -","- C14 H14 F3 I3 N2 O2 -","- C28 H28 F6 I6 N4 O4 -","2","1","","Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang","Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes","CrystEngComm","2025","27","14","2233","2240","10.1039/D5CE00090D","","","0.71073","MoKα","","0.0598","0.04","","","0.0778","0.0892","","","","","","1.026","","","","has coordinates,has disorder","298855","2025-04-05","02:38:18",""
"7250033","28.0048","0.0013","4.8659","0.0003","15.7552","0.0009","90","","90","","90","","2146.9","0.2","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H13 F3 I3 N O3 -","- C18 H13 F3 I3 N O3 -","- C72 H52 F12 I12 N4 O12 -","4","1","","Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang","Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes","CrystEngComm","2025","27","14","2233","2240","10.1039/D5CE00090D","","","0.71073","MoKα","","0.0385","0.0361","","","0.0982","0.1013","","","","","","1.02","","","","has coordinates","298855","2025-04-05","02:38:19",""
"7250034","8.8594","0.0005","10.1598","0.0007","12.808","0.001","92.855","0.006","95.703","0.005","99.376","0.005","1129.25","0.14","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 F12 I6 N4 O4 -","- C34 H28 F12 I6 N4 O4 -","- C34 H28 F12 I6 N4 O4 -","1","0.5","","Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang","Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes","CrystEngComm","2025","27","14","2233","2240","10.1039/D5CE00090D","","","0.71073","MoKα","","0.0493","0.0348","","","0.0673","0.0753","","","","","","1.048","","","","has coordinates","298855","2025-04-05","02:38:19",""
"7250035","6.0245","0.0003","9.3655","0.0004","38.7258","0.0016","90","","92.09","0.004","90","","2183.55","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F4 I2 N2 O2 -","- C20 H18 F4 I2 N2 O2 -","- C80 H72 F16 I8 N8 O8 -","4","1","","Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang","Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes","CrystEngComm","2025","27","14","2233","2240","10.1039/D5CE00090D","","","0.71073","MoKα","","0.0488","0.0465","","","0.1252","0.1277","","","","","","1.048","","","","has coordinates","298855","2025-04-05","02:38:19",""
"7250036","11.1392","0.0005","25.2833","0.0011","22.6009","0.0012","90","","103.461","0.002","90","","6190.4","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C71 H72 Br2 O10 -","- C71 H72 Br2 O10 -","- C284 H288 Br8 O40 -","4","0.5","","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state","CrystEngComm","2025","27","13","1873","1878","10.1039/D4CE01320D","","","1.54178","CuKα","","0.0801","0.0611","","","0.1654","0.185","","","","","","1.055","","","","has coordinates,has disorder","298843","2025-04-05","02:35:48",""
"7250037","38.7491","0.0009","10.4816","0.0002","23.9295","0.0005","90","","107.054","0.001","90","","9291.7","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C102 H120 Br4 O12 -","- C102 H120 Br4 O12 -","- C408 H480 Br16 O48 -","4","0.5","","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state","CrystEngComm","2025","27","13","1873","1878","10.1039/D4CE01320D","","","1.54178","CuKα","","0.0621","0.0494","","","0.131","0.1436","","","","","","1.023","","","","has coordinates","298843","2025-04-05","02:35:48",""
"7250038","11.3658","0.0003","25.1078","0.0007","22.8023","0.0006","90","","104.364","0.001","90","","6303.7","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C73 H76 Br2 O10 -","- C73 H76 Br2 O10 -","- C292 H304 Br8 O40 -","4","1","","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state","CrystEngComm","2025","27","13","1873","1878","10.1039/D4CE01320D","","","1.54178","CuKα","","0.1301","0.1034","","","0.2755","0.3181","","","","","","1.272","","","","has coordinates,has disorder","298843","2025-04-05","02:35:48",""
"7250039","39.404","0.002","10.6754","0.0007","24.3659","0.0014","90","","107.392","0.004","90","","9781","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C106 H128 Br4 O12 -","- C106 H128 Br4 O12 -","- C424 H512 Br16 O48 -","4","0.5","","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state","CrystEngComm","2025","27","13","1873","1878","10.1039/D4CE01320D","","","1.54178","CuKα","","0.1199","0.0752","","","0.2133","0.2571","","","","","","1.03","","","","has coordinates,has disorder","298843","2025-04-05","02:35:48",""
"7250042","8.0047","0.0003","21.1874","0.0006","8.0296","0.0003","90","","104.314","0.004","90","","1319.53","0.08","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N6 O3 -","- C13 H13 N6 O3 -","- C52 H52 N24 O12 -","4","1","","Kamel, Monica G.; Sroor, Farid M.; Mahmoud, Khaled; Shafey, Heba I.; Hassaneen, Hamdi M.; Vendier, Laure","Utility of 6-aza-2-thiothymine in the synthesis of novel [1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one derivatives: synthesis, structure elucidation, molecular docking and in vitro anti-lung cancer activity","RSC Advances","2025","15","8","6015","6031","10.1039/D4RA08958H","","x-ray","1.54184","CuKα","","0.0433","0.0426","","0.1294","0.1284","0.1294","","","","","","0.9825","","","","has coordinates","297901","2025-02-27","02:36:09",""
"7250043","9.037","0.002","10.049","0.003","10.795","0.003","80.44","0.04","78.53","0.04","79.74","0.03","936.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N4 O5 Zn -","- C18 H20 N4 O5 Zn -","- C36 H40 N8 O10 Zn2 -","2","1","","Heydari, Neda; Bikas, Rahman; Lis, Tadeusz","Chemical CO2 fixation by a heterogenised Zn(ii)-hydrazone complex","RSC Advances","2025","15","8","5977","5988","10.1039/D4RA09026H","","","0.71073","MoKα","","0.0543","0.0514","","","0.1368","0.1421","","","","","","1.044","","","","has coordinates","297902","2025-02-27","02:36:32",""
"7250044","17.9836","0.0009","17.9846","0.0008","14.155","0.0007","90","","97.572","0.002","90","","4538.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H90 N16 O17 Zn4 -","- C98 H84 N16 O17 Zn4 -","- C196 H168 N32 O34 Zn8 -","2","0.5","","Zhao, Fang-Hua; Li, Yu-Shuo; Li, Shu-Qi; Wu, Xiao-Hong; He, Yuan-Chun; Li, Zhong-Lin","A stable two-fold interpenetrated 3D Zn(ii) MOF for fluorescence sensing of uric acid and tryptophan","CrystEngComm","2025","27","14","2223","2232","10.1039/D4CE01283F","","","0.71073","MoKα","","0.0492","0.0376","","","0.0997","0.1072","","","","","","1.016","","","","has coordinates","298852","2025-04-05","02:37:33",""
"7250045","10.2107","0.0008","10.7746","0.0008","22.5314","0.0017","90","","90","","90","","2478.8","0.3","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C96 H136 N8 O40 -","8","1","","Wang, Zhenyuan; Wang, Mi; Tao, Qingsheng; Li, Yufei; Wang, Hao; Zhang, Mei; Liu, Xueli; Zhang, Jiaheng","Betaine–salicylic acid cocrystal for enhanced skincare and acne treatment","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00001G","","x-ray","0.71073","MoKα","","0.0658","0.0465","","","0.0997","0.1117","","","","","","1.089","","","","has coordinates","297915","2025-02-28","01:09:11",""
"7250046","14.2295","0.0003","15.4768","0.0003","17.3417","0.0004","70.136","0.002","79.294","0.002","85.33","0.002","3528.67","0.14","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C70.2 H68.2 Cl6.6 N15 O4 -","- C69 H67 Cl3 N15 O4 -","- C138 H134 Cl6 N30 O8 -","2","1","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","","1.3405","GaKα","","0.1149","0.0881","","","0.2705","0.2954","","","","","","1.068","","","","has coordinates","298844","2025-04-05","02:36:14",""
"7250047","22.8874","0.0011","22.8874","0.0011","57.2","0.005","90","","90","","120","","25949","3","100.02","0.1","100.02","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C146.2 H163.2 Cl21.6 N30 O6 -","- C142 H158.999 Cl9 N30 O6 -","- C852 H953.996 Cl54 N180 O36 -","6","0.333333","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.54184","CuKα","","0.1723","0.1446","","","0.3752","0.4041","","","","","","1.456","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250048","14.3812","0.0003","15.4937","0.0003","17.2333","0.0004","71.658","0.002","79.5378","0.0019","82.7903","0.0017","3574.58","0.14","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C155 H160 Cl6 N30 O8 -","- C155.002 H160.002 Cl6.006 N30 O8 -","- C155.002 H160.002 Cl6.006 N30 O8 -","1","0.5","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.3405","GaKα","","0.1928","0.1378","","","0.3414","0.3586","","","","","","1.096","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250049","14.8347","0.0008","15.5615","0.0009","16.9145","0.0009","72.925","0.005","81.228","0.004","82.651","0.004","3674.6","0.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C145 H151 Cl9 N30 O8 -","- C145 H151 Cl9 N30 O8 -","- C145 H151 Cl9 N30 O8 -","1","0.5","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.54184","CuKα","","0.2876","0.1353","","","0.3432","0.4357","","","","","","1.167","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250050","14.6409","0.0005","15.4829","0.0005","17.0956","0.0005","71.798","0.003","80.271","0.003","79.849","0.003","3596.8","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C83 H89 N15 O4 -","- C83 H89 N15 O4 -","- C166 H178 N30 O8 -","2","1","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.54184","CuKα","","0.0914","0.0739","","","0.1878","0.198","","","","","","1.028","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250051","14.7305","0.0005","15.2894","0.0005","17.0209","0.0005","72.734","0.003","80.346","0.003","79.345","0.003","3571.5","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C150.98 H158.98 Cl3 N30 O8 -","- C150.984 H158.98 Cl3 N30 O8 -","- C150.984 H158.98 Cl3 N30 O8 -","1","0.5","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.54184","CuKα","","0.1191","0.085","","","0.231","0.2611","","","","","","1.026","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250052","7.4833","0.0006","8.3504","0.0007","13.117","0.0008","87.703","0.006","79.96","0.006","63.498","0.008","721.64","0.11","169.9","0.3","169.9","0.3","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C36 H32 O8 -","2","1","","Li, Jiayuan; Zhang, Zeyu; Yi, Yaping; Xi, Chanjuan","Visible-light-induced photoredox-catalyzed dearomative dicarboxylation of arenes using formate and CO2","Green Chemistry","2025","27","13","3443","3450","10.1039/D5GC00240K","","x-ray","1.54184","CuKα","","0.041","0.0381","","","0.1012","0.1032","","","","","","1.062","","","","has coordinates","301007","2025-07-06","17:20:54",""
"7250053","5.56956","0.0001","10.83565","0.00018","18.2517","0.0003","90","","90","","90","","1101.49","0.03","170","0.4","170","0.4","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C7 H5 O2 -","- C7 H5 O2 -","- C56 H40 O16 -","8","1","","Li, Jiayuan; Zhang, Zeyu; Yi, Yaping; Xi, Chanjuan","Visible-light-induced photoredox-catalyzed dearomative dicarboxylation of arenes using formate and CO2","Green Chemistry","2025","27","13","3443","3450","10.1039/D5GC00240K","","x-ray","1.54184","CuKα","","0.0345","0.0332","","","0.089","0.09","","","","","","1.034","","","","has coordinates","301007","2025-07-06","17:20:55",""
"7250054","5.648","0.001","7.599","0.002","9.119","0.002","83.62","0.02","86.36","0.02","72.9","0.02","371.57","0.15","290.2","0.7","290.2","0.7","","","","","","","","4","P -1","-P 1","2","","5,10-trans-dimethyl-trans-tetradecahydrophosphanthrene 5,10-dioxide","","- C14 H26 O2 P2 -","- C14 H26 O2 P2 -","- C14 H26 O2 P2 -","1","0.5","","Łastawiecka, Elżbieta; Matysiak, Joanna; Stankevič, Marek; Kozioł, Anna; Dyk, Konrad; Kamiński, Daniel Michael","Rationalization of thermal properties of some polycyclic organophosphorus compounds by structural and QSPR analyses","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D4CP04571H","","x-ray","1.54184","CuKα","","0.076","0.0604","","","0.1538","0.2053","","","","","","1.119","","","","has coordinates","297931","2025-03-01","02:03:51",""
"7250055","5.615","0.001","9.764","0.003","10.341","0.003","92.98","0.03","103.72","0.03","101.25","0.03","537.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,10-trans-dicyclopentyl-trans-tradecahydrophosphanthrene 5,10-dioxide","","- C22 H38 O2 P2 -","- C22 H38 O2 P2 -","- C22 H38 O2 P2 -","1","0.5","","Łastawiecka, Elżbieta; Matysiak, Joanna; Stankevič, Marek; Kozioł, Anna; Dyk, Konrad; Kamiński, Daniel Michael","Rationalization of thermal properties of some polycyclic organophosphorus compounds by structural and QSPR analyses","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D4CP04571H","","x-ray","1.54184","CuKα","","0.1386","0.1219","","","0.3684","0.3759","","","","","","1.15","","","","has coordinates,has disorder","297931","2025-03-01","02:03:53",""
"7250056","9.5497","0.0002","9.5497","0.0002","23.2662","0.0008","90","","90","","90","","2121.8","0.1","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","5,10-cis-di-t-butyl-cis-tradecahydrophosphanthrene 5,10-dioxide","","- C20 H38 O2 P2 -","- C20 H38 O2 P2 -","- C80 H152 O8 P8 -","4","0.5","","Łastawiecka, Elżbieta; Matysiak, Joanna; Stankevič, Marek; Kozioł, Anna; Dyk, Konrad; Kamiński, Daniel Michael","Rationalization of thermal properties of some polycyclic organophosphorus compounds by structural and QSPR analyses","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D4CP04571H","","x-ray","1.54184","CuKα","","0.0359","0.0347","","","0.0971","0.0985","","","","","","1.094","","","","has coordinates","297931","2025-03-01","02:03:53",""
"7250057","11.0457","0.0016","31.235","0.004","11.3942","0.0017","90","","117.679","0.005","90","","3481.3","0.9","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38 Cl N5 O12 -","- C35 H38 Cl N5 O12 -","- C140 H152 Cl4 N20 O48 -","4","1","","Singh, Abhay Pratap; Baruah, Jubaraj B.","Facts and reality of multi-component organic ionic-cocrystals of di-topic acid–base conjugates","CrystEngComm","2025","27","12","1701","1706","10.1039/D4CE01200C","","","0.71073","MoKα","","0.0957","0.0832","","","0.2077","0.2147","","","","","","1.098","","","","has coordinates","298866","2025-04-05","02:42:28",""
"7250058","8.8096","0.0005","11.2696","0.0006","21.1324","0.0012","85.724","0.002","81.896","0.002","72.086","0.002","1975.3","0.19","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H38 Cl F2 I N5 O12 -","- C38 H38 Cl F2 I N5 O12 -","- C76 H76 Cl2 F4 I2 N10 O24 -","2","1","","Singh, Abhay Pratap; Baruah, Jubaraj B.","Facts and reality of multi-component organic ionic-cocrystals of di-topic acid–base conjugates","CrystEngComm","2025","27","12","1701","1706","10.1039/D4CE01200C","","","0.71073","MoKα","","0.0551","0.0408","","","0.0775","0.0852","","","","","","1.122","","","","has coordinates","298866","2025-04-05","02:42:29",""
"7250059","13.111","0.006","15.861","0.008","18.599","0.009","90","","90.667","0.014","90","","3867","3","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 Cl F4 I2 N4 O6 -","- C36 H33 Cl F4 I2 N4 O6 -","- C144 H132 Cl4 F16 I8 N16 O24 -","4","1","","Singh, Abhay Pratap; Baruah, Jubaraj B.","Facts and reality of multi-component organic ionic-cocrystals of di-topic acid–base conjugates","CrystEngComm","2025","27","12","1701","1706","10.1039/D4CE01200C","","","0.71073","MoKα","","0.0543","0.0422","","","0.1053","0.1187","","","","","","1.038","","","","has coordinates","298866","2025-04-05","02:42:31",""
"7250060","10.5962","0.0012","12.4166","0.0015","13.7105","0.0015","91.12","0.003","93.412","0.003","113.928","0.003","1644","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Cd2 N4 O10 -","- C36 H24 Cd2 N4 O10 -","- C72 H48 Cd4 N8 O20 -","2","1","","Li, Shaodong; Li, Mengzhao; Li, Jia; Zhang, Yang; Su, Feng; Ma, Longlong; Wang, Guangyan; Li, Xinlei; Wang, Zhijun","Two pH-directed coordination polymers of cadmium isomers based on a semi-rigid polycarboxylic acid: crystal structure and fluorescence sensing of tetracyclines","CrystEngComm","2025","27","15","2354","2365","10.1039/D5CE00103J","","","0.71073","MoKα","","0.0715","0.0463","","","0.1165","0.1318","","","","","","1.026","","","","has coordinates","300722","2025-07-06","15:10:31",""
"7250061","7.155","0.002","17.698","0.005","26.296","0.008","90","","93.13","0.011","90","","3324.9","1.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cd2 N4 O10 -","- C36 H24 Cd2 N4 O10 -","- C144 H96 Cd8 N16 O40 -","4","1","","Li, Shaodong; Li, Mengzhao; Li, Jia; Zhang, Yang; Su, Feng; Ma, Longlong; Wang, Guangyan; Li, Xinlei; Wang, Zhijun","Two pH-directed coordination polymers of cadmium isomers based on a semi-rigid polycarboxylic acid: crystal structure and fluorescence sensing of tetracyclines","CrystEngComm","2025","27","15","2354","2365","10.1039/D5CE00103J","","","0.71073","MoKα","","0.0513","0.0495","","","0.1578","0.1597","","","","","","1.044","","","","has coordinates","300722","2025-07-06","15:10:32",""
"7250062","7.1654","0.0002","10.1994","0.0003","11.9077","0.0004","86.315","0.002","76.45","0.003","73.545","0.003","811.37","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(((4-isopropylcyclohex-1-en-1-yl)methyl)sulfonyl)-4-methylbenzene","","- C17 H25 O2 S -","- C17 H25 O2 S -","- C34 H50 O4 S2 -","2","1","","Huang, Wanhui; Liu, Ge; Yang, Fangyuanhang; Ren, Yuxi; Gao, Yuzhen; Su, Weiping","CO2-Promoted photoredox-catalyzed hydrosulfonylation of alkenes with sulfinates","Green Chemistry","2025","27","14","3627","3633","10.1039/D5GC00057B","","x-ray","1.54184","CuKα","","0.0653","0.0615","","","0.1689","0.1712","","","","","","1.188","","","","has coordinates","301012","2025-07-06","17:21:56",""
"7250063","8.30717","0.00015","12.2319","0.0002","20.046","0.0003","90","","90","","90","","2036.92","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O3 S -","- C21 H30 O3 S -","- C84 H120 O12 S4 -","4","1","","Huang, Wanhui; Liu, Ge; Yang, Fangyuanhang; Ren, Yuxi; Gao, Yuzhen; Su, Weiping","CO2-Promoted photoredox-catalyzed hydrosulfonylation of alkenes with sulfinates","Green Chemistry","2025","27","14","3627","3633","10.1039/D5GC00057B","","","1.54184","CuKα","","0.0337","0.0318","","","0.0857","0.0874","","","","","","1.065","","","","has coordinates","301012","2025-07-06","17:21:56",""
"7250064","26.9074","0.0004","17.1592","0.0003","27.359","0.0004","90","","96.183","0.001","90","","12558.4","0.3","300.48","0.1","300.48","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H24 Cd2 F4 N6 O8 -","- C43 H24 Cd2 F4 N6 O8 -","- C344 H192 Cd16 F32 N48 O64 -","8","1","","Fang, Han; Han, Jia-Peng; Zhang, Bo; Liu, Deng-Bo; Li, Xing-Wang; Li, Jing-Yu; He, Yutong; Yu, Mei-Hui","A versatile luminescent metal–organic framework for selective detection of Fe(iii) cations and Cr(vi) anions","CrystEngComm","2025","27","8","1139","1145","10.1039/D4CE01107D","","x-ray","1.54184","CuKα","","0.0425","0.0393","","","0.1106","0.1132","","","","","","1.089","","","","has coordinates","297955","2025-03-04","02:21:38",""
"7250065","7.5267","0.0006","11.4086","0.0009","13.3971","0.001","114.88","0.0016","91.182","0.002","94.865","0.002","1037.85","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Cd N2 O10 -","- C22 H17 Cd N2 O10 -","- C44 H34 Cd2 N4 O20 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0517","0.0332","","","0.0607","0.0663","","","","","","1.034","","","","has coordinates","297956","2025-03-04","02:23:54",""
"7250066","6.546","0.004","12.633","0.007","12.865","0.007","97.026","0.019","95.24","0.02","96.96","0.02","1042","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 N4 O22 Zn2 -","- C42 H34 N4 O22 Zn2 -","- C42 H34 N4 O22 Zn2 -","1","0.5","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0857","0.0463","","","0.0899","0.1029","","","","","","1.027","","","","has coordinates","297956","2025-03-04","02:24:05",""
"7250067","8.328","0.003","10.399","0.003","12.543","0.004","95.415","0.006","97.524","0.006","92.705","0.009","1070.1","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Cd N2 O11 -","- C21 H17 Cd N2 O11 -","- C42 H34 Cd2 N4 O22 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0565","0.0493","","","0.1295","0.1334","","","","","","1.123","","","","has coordinates","297956","2025-03-04","02:24:06",""
"7250068","10.24","0.03","12.29","0.04","13.58","0.05","97.39","0.09","99.45","0.13","104.61","0.11","1605","9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H22 Cd N4 O14 -","- C38 H20 Cd N4 O14 -","- C76 H40 Cd2 N8 O28 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0716","0.0467","","","0.1104","0.1226","","","","","","1.015","","","","has coordinates,has disorder","297956","2025-03-04","02:24:06",""
"7250069","10.4465","0.0006","12.6964","0.0007","13.574","0.0008","97.2892","0.0013","99.3233","0.0013","105.765","0.0013","1681.84","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H18 Cd N4 O12 -","- C38 H18 Cd N4 O12 -","- C76 H36 Cd2 N8 O24 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0675","0.0438","","","0.0852","0.0926","","","","","","1.005","","","","has coordinates","297956","2025-03-04","02:24:06",""
"7250070","8.103","0.004","10.232","0.005","12.72","0.006","97.593","0.012","99.913","0.011","91.322","0.013","1028.6","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N2 O11 Zn -","- C21 H17 N2 O11 Zn -","- C42 H34 N4 O22 Zn2 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.1386","0.0742","","","0.0917","0.1055","","","","","","1.064","","","","has coordinates","297956","2025-03-04","02:24:06",""
"7250071","10.1088","0.0013","10.4401","0.0013","11.9209","0.0014","106.047","0.003","94.16","0.003","112.725","0.003","1092.2","0.2","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Cd N4 O7.5 -","- C21 H18 Cd N4 O7.5 -","- C42 H36 Cd2 N8 O15 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0636","0.0378","","","0.0598","0.0655","","","","","","1.012","","","","has coordinates","297956","2025-03-04","02:24:07",""
"7250072","10.256","0.003","12.694","0.004","13.59","0.005","97.295","0.009","99.972","0.01","105.313","0.008","1652.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H19 N4 O14 Zn -","- C39 H19 N4 O14 Zn -","- C78 H38 N8 O28 Zn2 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.1468","0.0838","","","0.2025","0.2372","","","","","","1.048","","","","has coordinates","297956","2025-03-04","02:24:07",""
"7250073","7.33993","0.00016","8.41329","0.00017","19.687","0.0005","90","","94.848","0.002","90","","1211.38","0.05","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Sroor, Farid M.; Terme, Thierry; Vanelle, Patrice; Spitz, Cédric","Three-step process for the synthesis of 10,11-dihydro-5H-dibenzo[b,f]azepin-10-ol derivatives","RSC Advances","2025","15","9","6737","6741","10.1039/D5RA00909J","","x-ray","1.54184","CuKα","","0.0486","0.0436","","","0.1214","0.1284","","","","","","1.033","","","","has coordinates","297957","2025-03-04","02:27:08",""
"7250074","12.6709","0.0003","13.3145","0.0003","11.2685","0.0003","90","","110.5","0.003","90","","1780.68","0.08","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O6 S -","- C17 H20 N2 O6 S -","- C68 H80 N8 O24 S4 -","4","1","","Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming","Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions","Green Chemistry","2025","27","5","1499","1509","10.1039/D4GC05637J","","x-ray","1.54184","CuKα","","0.0533","0.0489","","","0.1292","0.1331","","","","","","1.0476","","","","has coordinates","297973","2025-03-04","07:36:11",""
"7250075","17.434","0.0009","11.5074","0.0006","20.8088","0.0011","90","","102.322","0.005","90","","4078.5","0.4","292.69","0.1","292.69","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C21 H19 F N2 O6 S -","- C21 H19 F N2 O6 S -","- C168 H152 F8 N16 O48 S8 -","8","1","","Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming","Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions","Green Chemistry","2025","27","5","1499","1509","10.1039/D4GC05637J","","x-ray","0.71073","MoKα","","0.0648","0.047","","","0.1097","0.1224","","","","","","1.03","","","","has coordinates","297974","2025-03-04","07:36:30",""
"7250076","17.2458","0.0002","12.0306","0.0002","21.0605","0.0003","90","","98.195","0.001","90","","4324.96","0.11","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C21 H19 Br N2 O6 S -","- C21 H19 Br N2 O6 S -","- C168 H152 Br8 N16 O48 S8 -","8","1","","Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming","Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions","Green Chemistry","2025","27","5","1499","1509","10.1039/D4GC05637J","","x-ray","1.54184","CuKα","","0.0426","0.0384","","","0.1037","0.108","","","","","","1.037","","","","has coordinates,has disorder","297975","2025-03-04","07:36:46",""
"7250077","16.1273","0.0003","13.8387","0.0002","19.0079","0.0003","90","","90","","90","","4242.2","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O6 S -","- C22 H22 N2 O6 S -","- C176 H176 N16 O48 S8 -","8","1","","Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming","Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions","Green Chemistry","2025","27","5","1499","1509","10.1039/D4GC05637J","","x-ray","1.54184","CuKα","","0.0707","0.0522","","","0.1398","0.1564","","","","","","1.093","","","","has coordinates","297976","2025-03-04","07:37:02",""
"7250078","16.0694","0.0016","9.9654","0.0008","17.9448","0.0017","90","","113.464","0.011","90","","2636","0.5","292.38","0.1","292.38","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Cl2 F3 N2 O6 S -","- C23 H21 Cl2 F3 N2 O6 S -","- C92 H84 Cl8 F12 N8 O24 S4 -","4","1","","Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming","Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions","Green Chemistry","2025","27","5","1499","1509","10.1039/D4GC05637J","","x-ray","0.71073","MoKα","","0.1034","0.0746","","","0.2032","0.2298","","","","","","1.025","","","","has coordinates,has disorder","297977","2025-03-04","07:37:26",""
"7250079","6.8778","0.0003","6.8778","0.0003","19.2548","0.0011","90","","90","","90","","910.83","0.08","287","","287","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Mg4 Na O12 V3 -","- Mg4 Na O12 V3 -","- Mg16 Na4 O48 V12 -","4","0.25","","Wang, Xiaoming; Feng, Qiuyuan; Hou, Ketian; Wei, Wei; Lu, Juanjuan; Wei, Lai; Zhang, Feng","Exploring quaternary vanadates containing alkali metals, alkaline earth metals, and [VO4] in the quest for nonlinear optical materials","CrystEngComm","2025","27","14","2101","2107","10.1039/D4CE01058B","","","0.71073","MoKα","","0.0194","0.0187","","","0.0438","0.0446","","","","","","1.006","","","","has coordinates","298849","2025-04-05","02:36:58",""
"7250080","6.8673","0.0006","6.8673","0.0006","18.968","0.002","90","","90","","90","","894.53","0.15","287","","287","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Li Mg4 O12 V3 -","- Li Mg4 O12 V3 -","- Li4 Mg16 O48 V12 -","4","0.25","","Wang, Xiaoming; Feng, Qiuyuan; Hou, Ketian; Wei, Wei; Lu, Juanjuan; Wei, Lai; Zhang, Feng","Exploring quaternary vanadates containing alkali metals, alkaline earth metals, and [VO4] in the quest for nonlinear optical materials","CrystEngComm","2025","27","14","2101","2107","10.1039/D4CE01058B","","","0.71073","MoKα","","0.0187","0.0184","","","0.0468","0.047","","","","","","1.18","","","","has coordinates","298849","2025-04-05","02:36:59",""
"7250081","7.5048","0.0014","12.3263","0.0019","26.274","0.005","90","","92.904","0.005","90","","2427.4","0.7","100","2","99.9","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C23 H21 Cd F6 N O5.5 -","- C21 H17 Cd F6 N O5 -","- C84 H68 Cd4 F24 N4 O20 -","4","1","","Balendra,; Ali, Mahboob; Sanyukta,; Murugavel, Sevi","Effect of coordinated and lattice neutral co-ligands on the dielectric properties of cadmium and magnesium based coordination polymers","CrystEngComm","2025","27","14","2136","2147","10.1039/D4CE01238K","","","0.71073","MoKα","","0.0838","0.0429","","","0.0795","0.0893","","","","","","1.045","","","","has coordinates,has disorder","298851","2025-04-05","02:37:17",""
"7250082","25.095","0.016","6.44","0.004","28.376","0.018","90","","114.671","0.018","90","","4167","5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H43 Mg3 N O19 S2 -","- C32 H34 Mg3 O18 S2 -","- C128 H136 Mg12 O72 S8 -","4","0.5","","Balendra,; Ali, Mahboob; Sanyukta,; Murugavel, Sevi","Effect of coordinated and lattice neutral co-ligands on the dielectric properties of cadmium and magnesium based coordination polymers","CrystEngComm","2025","27","14","2136","2147","10.1039/D4CE01238K","","","0.71073","MoKα","","0.0659","0.0498","","","0.1262","0.1356","","","","","","1.041","","","","has coordinates","298851","2025-04-05","02:37:17",""
"7250083","12.4892","0.0003","5.1131","0.0001","18.7509","0.0004","90","","90.473","0.001","90","","1197.36","0.05","100","","100","","","","","","","","","4","P 1 2 1","P 2y","3","","","","- C23 H26 N4 O9 -","- C23 H26 N4 O9 -","- C46 H52 N8 O18 -","2","1","","Baptista, Rosa M. F.; Ayala, Alejandro P.; de Matos Gomes, Etelvina; Castro, M. Cidália R.; Machado, Ana V.; Belsley, Michael S.","Second harmonic generation and crystal structure of a self-assembled Boc-p-nitro-l-phenylalanyl-p-nitro-l-phenylalanine dipeptide","CrystEngComm","2025","27","14","2195","2203","10.1039/D5CE00134J","","x-ray","1.54178","CuKα","","0.0427","0.0357","","","0.087","0.0927","","","","","","1.018","","","","has coordinates","298847","2025-04-05","02:36:34",""
"7250084","3.616","0.002","16.677","0.011","17.954","0.011","90","","95.76","0.02","90","","1077.2","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N10 O -","- C8 H8 N10 O -","- C32 H32 N40 O4 -","4","1","","Liu, Lei; Huang, Wengzhe; Yuan, Ye; Lu, Lu; Tang, Yongxing; Huang, Wei","Site-selective electrochemical synthesis of nitrogen-enriched bis-pyrazole derivatives: a sustainable approach for N–N versus NN bond formation","Green Chemistry","2025","27","14","3727","3732","10.1039/D4GC06597B","","x-ray","1.54178","CuKα","","0.1346","0.0715","","","0.1773","0.2104","","","","","","1.061","","","","has coordinates","301011","2025-07-06","17:21:46",""
"7250085","13.881","0.0005","11.8967","0.0004","14.0748","0.0005","90","","110.825","0.001","90","","2172.44","0.13","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O6 S2 -","- C22 H22 N2 O6 S2 -","- C88 H88 N8 O24 S8 -","4","1","","Yang, Luyao; Ying, Jialuo; Zheng, Hao; Xu, Yuyan; Wu, Liping; Chen, Zhiwei","Photo-promoted radical cascade cyclization of 4-(allylamino)-3-cyanocoumarins: access to sulfonylated pyrido[3,2-c]coumarin derivatives","Green Chemistry","2025","27","13","3524","3531","10.1039/D4GC06598K","","","0.71073","MoKα","","0.0702","0.0498","","","0.0951","0.1055","","","","","","1.121","","","","has coordinates","301008","2025-07-06","17:21:09",""
"7250086","18.8889","0.0017","18.8889","0.0017","41.373","0.004","90","","90","","120","","12784","2","100","2","100","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C42 H66 N6 O4 Si3 -","- C42 H66 N6 O4 Si3 -","- C504 H792 N72 O48 Si36 -","12","0.333333","","Kulkarni, Akshay S.; Ramana, Sreenivasa Rao; Nuthakki, Vijay Kumar; Bhatt, Shipra; Jamwal, Ashiya; Nandawadekar, Laxman D.; Jotshi, Anshika; Kumar, Ajay; Nandi, Utpal; Bharate, Sandip Bibishan; Srinivasa Reddy, D.","Silicon Incorporated Tacrine: Design, Synthesis, and Evaluation of Biological and Pharmacokinetic Parameters","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00019J","","","0.71073","MoKα","","0.0382","0.0368","","","0.1045","0.106","","","","","","1.073","","","","has coordinates","298341","2025-03-08","01:06:49",""
"7250087","14.0115","0.0015","7.1139","0.0007","24.401","0.003","90","","102.624","0.004","90","","2373.4","0.5","160","","160","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N6 -","- C30 H18 N6 -","- C120 H72 N24 -","4","1","","Nakada, Kazushi; Richards, Gary J.; Hori, Akiko","Yellow and red polymorphic co-crystals of phenyl-substituted pyrazinacene and naphthalene via π-hole⋯π interactions","CrystEngComm","2025","27","14","2064","2069","10.1039/D5CE00114E","","","0.71073","MoKα","","0.0633","0.0483","","","0.117","0.128","","","","","","1.041","","","","has coordinates","298845","2025-04-05","02:36:21",""
"7250088","12.312","0.006","7.042","0.004","26.902","0.013","90","","98.74","0.017","90","","2305","2","160","","160","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N6 -","- C30 H18 N6 -","- C120 H72 N24 -","4","1","","Nakada, Kazushi; Richards, Gary J.; Hori, Akiko","Yellow and red polymorphic co-crystals of phenyl-substituted pyrazinacene and naphthalene via π-hole⋯π interactions","CrystEngComm","2025","27","14","2064","2069","10.1039/D5CE00114E","","","0.71073","MoKα","","0.0911","0.0647","","","0.1365","0.1493","","","","","","1.076","","","","has coordinates","298845","2025-04-05","02:36:21",""
"7250089","9.4872","0.0013","7.4956","0.001","12.2757","0.0016","90","","104.888","0.002","90","","843.6","0.2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TDBBF_1","","","- C20 H16 Br2 Fe2 -","- C20 H16 Br2 Fe2 -","- C40 H32 Br4 Fe4 -","2","0.5","","Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki","Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts","CrystEngComm","2025","27","15","2371","2381","10.1039/D5CE00076A","","","0.71073","MoKα","","0.0289","0.026","","","0.0692","0.0704","","","","","","1.052","","","","has coordinates","300725","2025-07-06","15:11:04",""
"7250090","9.018","0.008","10.319","0.009","10.748","0.01","90","","90","","90","","1000.2","1.6","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","FcBrCN","","","- C11 H8 Br Fe N -","- C11 H8 Br Fe N -","- C44 H32 Br4 Fe4 N4 -","4","1","","Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki","Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts","CrystEngComm","2025","27","15","2371","2381","10.1039/D5CE00076A","","","0.71073","MoKα","","0.0212","0.02","","","0.0496","0.05","","","","","","1.079","","","","has coordinates","300725","2025-07-06","15:11:05",""
"7250091","14.684","0.002","11.6577","0.0019","18.755","0.003","90","","108.41","0.002","90","","3046.2","0.8","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H16 Br2 Fe2 I7 -","- C20 H16 Br2 Fe2 I7 -","- C80 H64 Br8 Fe8 I28 -","4","1","","Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki","Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts","CrystEngComm","2025","27","15","2371","2381","10.1039/D5CE00076A","","","0.71073","MoKα","","0.0358","0.0293","","","0.0463","0.0479","","","","","","0.963","","","","has coordinates","300725","2025-07-06","15:11:05",""
"7250092","13.194","0.003","14.16","0.003","18.352","0.004","90","","90","","90","","3428.6","1.3","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TDBBF_R_3_90K","","","- C20 H16 Br2 Fe2 -","- C20 H16 Br2 Fe2 -","- C160 H128 Br16 Fe16 -","8","1","","Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki","Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts","CrystEngComm","2025","27","15","2371","2381","10.1039/D5CE00076A","","","0.71073","MoKα","","0.0596","0.0339","","","0.0671","0.074","","","","","","1.003","","","","has coordinates","300725","2025-07-06","15:11:05",""
"7250093","17.9766","0.0019","5.7375","0.0005","18.7841","0.0018","90","","93.907","0.004","90","","1932.9","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","phenylbutazone solvate with acetonitrile","","- C21 H23 N3 O2 -","- C21 H23 N3 O2 -","- C84 H92 N12 O8 -","4","1","","Gabdulkhaev, Mukhammet N.; Simdyanova, Anastasia V.; Bolmatenkov, Dmitrii N.; Gubaidullin, Aidar T.; Mukhametzyanov, Timur A.; Ziganshin, Marat A.; Gorbatchuk, Valery V.","New approach for preparation of metastable phenylbutazone polymorphs","CrystEngComm","2025","27","16","2490","2501","10.1039/D5CE00094G","","","0.71073","MoKα","","0.1794","0.1394","","","0.2782","0.2957","","","","","","1.145","","","","has coordinates,has disorder","300708","2025-07-06","15:06:21",""
"7250094","16.215","0.001","5.9581","0.0004","17.4194","0.0012","90","","92.782","0.002","90","","1680.92","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-hydroxy-phenylbutazone","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Gabdulkhaev, Mukhammet N.; Simdyanova, Anastasia V.; Bolmatenkov, Dmitrii N.; Gubaidullin, Aidar T.; Mukhametzyanov, Timur A.; Ziganshin, Marat A.; Gorbatchuk, Valery V.","New approach for preparation of metastable phenylbutazone polymorphs","CrystEngComm","2025","27","16","2490","2501","10.1039/D5CE00094G","","","0.71073","MoKα","","0.0555","0.0441","","","0.1138","0.1223","","","","","","1.016","","","","has coordinates","300708","2025-07-06","15:06:22",""
"7250095","7.4586","0.0006","5.8956","0.0005","11.3644","0.0009","90","","112.375","0.003","90","","462.1","0.07","274","2","274","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- K Se2 Zn1.51 -","- K Se2 Zn1.5145 -","- K4 Se8 Zn6.058 -","4","1","","Wang, Kuan-Lin; Lin, Cai-Fei; Cheng, Chin; Huang, Tzu-Chi; Lin, Bi-Hsuan; Xie, Yu-Lin; Wang, Bo-Yuan; Kung, Jennifer; Lin, Kuang-I; Hsu, Kuei-Fang","Zinc selenide stabilized in a quadrilateral network characterized with optical emissions","CrystEngComm","2025","27","16","2483","2489","10.1039/D4CE01251H","","","0.71073","MoKα","","0.0823","0.0611","","","0.1222","0.1337","","","","","","1.086","","","","has coordinates","300702","2025-07-06","15:04:41",""
"7250096","7.462","0.0002","5.9687","0.0001","11.3465","0.0002","90","","112.251","0.001","90","","467.724","0.017","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- K Mg0.23 Se2 Zn1.28 -","- K Mg0.232 Se2 Zn1.278 -","- K4 Mg0.928 Se8 Zn5.112 -","4","1","","Wang, Kuan-Lin; Lin, Cai-Fei; Cheng, Chin; Huang, Tzu-Chi; Lin, Bi-Hsuan; Xie, Yu-Lin; Wang, Bo-Yuan; Kung, Jennifer; Lin, Kuang-I; Hsu, Kuei-Fang","Zinc selenide stabilized in a quadrilateral network characterized with optical emissions","CrystEngComm","2025","27","16","2483","2489","10.1039/D4CE01251H","","","0.71073","MoKα","","0.0134","0.0116","","","0.0245","0.0254","","","","","","1.144","","","","has coordinates","300702","2025-07-06","15:04:41",""
"7250097","9.6385","0.0019","7.4706","0.0015","7.7536","0.0016","90","","95.69","0.03","90","","555.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N2 -","- C6 H7 N2 -","- C24 H28 N8 -","4","1","","Zhao, Jiawei; Wang, Na; Zhou, Lina; Wang, Ting; Huang, Xin; Wang, Ailian; Zhang, Longgui; Hao, Hongxun","Mechanistic study on the crystal habit of 3,3′-diaminobenzidine in the presence of solvents and additives","CrystEngComm","2025","27","14","2204","2222","10.1039/D4CE01237B","","","0.71073","MoKα","","0.0924","0.056","","","0.1111","0.1258","","","","","","1.0455","","","","has coordinates","298846","2025-04-05","02:36:28",""
"7250098","7.9533","0.0011","33.455","0.004","8.0313","0.001","90","","90","","90","","2136.9","0.5","296.15","","296.15","","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C14 H18 Br6 Cd N2 -","- C14 H18 Br6 Cd N2 -","- C56 H72 Br24 Cd4 N8 -","4","0.5","","Zhang, Wanxu; Zheng, Yongzhuo; Liu, Mei; Wei, Wenqing; Wang, Juan; Guo, Fengwan","Enhancement of intrinsic luminescence by Sb3+ doped (C7H9N)2CdBr6 with lone pair 5s2 electrons","CrystEngComm","2025","27","18","2841","2847","10.1039/D5CE00031A","","","0.71073","MoKα","","0.0444","0.0332","","","0.0712","0.075","","","","","","1.047","","","","has coordinates","300728","2025-07-06","15:11:30",""
"7250099","7.8589","0.0008","33.063","0.003","7.9671","0.0008","90","","90","","90","","2070.2","0.4","100","","100","","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C14 H18 Br6 Cd N2 -","- C14 H18 Br6 Cd N2 -","- C56 H72 Br24 Cd4 N8 -","4","0.5","","Zhang, Wanxu; Zheng, Yongzhuo; Liu, Mei; Wei, Wenqing; Wang, Juan; Guo, Fengwan","Enhancement of intrinsic luminescence by Sb3+ doped (C7H9N)2CdBr6 with lone pair 5s2 electrons","CrystEngComm","2025","27","18","2841","2847","10.1039/D5CE00031A","","x-ray","0.71073","MoKα","","0.0352","0.031","","","0.0686","0.0703","","","","","","1.06","","","","has coordinates","300728","2025-07-06","15:11:31",""
"7250100","4.2576","0.0003","19.0419","0.0012","9.1464","0.0007","90","","90","","90","","741.52","0.09","298","2","298","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 Hg2 K2 N6 S2 -","- C6 Hg2 K2 N6 S2 -","- C12 Hg4 K4 N12 S4 -","2","0.125","","Jain, Aashna; Ghalsasi, Pallavi; Tothadi, Srinu; Garg, Nandini; Garg, Alka B.; Jha, Prafulla K.; Mande, Hemant; Ghalsasi, Prasanna S.","Thermal and pressure response of KHg(CN)<sub>2</sub>(SCN).","Physical chemistry chemical physics : PCCP","2025","","","","","10.1039/d4cp04311a","","","0.71073","MoKα","","0.0581","0.0313","","","0.0829","0.1187","","","","","","1.216","","","","has coordinates","298398","2025-03-12","02:27:27",""
"7250101","7.4675","0.0003","9.369","0.0004","14.5222","0.0006","90","","92.911","0.002","90","","1014.71","0.07","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C40 H48 N8 O16 -","4","1","","Vance, Susanna S. M.; Chatzisymeon, Efthalia; Morrison, Carole A.; Love, Jason B.","Recovering copper from e-waste: recyclable precipitation versus solvent extraction with carbon emission assessment","Green Chemistry","2025","27","14","3789","3804","10.1039/D4GC06466F","","","0.71073","MoKα","","0.0683","0.0523","","","0.1391","0.1564","","","","","","1.068","","","","has coordinates","301010","2025-07-06","17:21:39",""
"7250102","25.649","0.005","9.0726","0.0016","6.769","0.0014","90","","92.424","0.006","90","","1573.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N9 O2 -","- C3 H7 N9 O2 -","- C24 H56 N72 O16 -","8","2","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole","CrystEngComm","2025","27","16","2570","2576","10.1039/D5CE00030K","","","0.71073","MoKα","","0.1017","0.0887","","","0.2414","0.2572","","","","","","1.078","","","","has coordinates","300706","2025-07-06","15:06:06",""
"7250103","7.2861","0.0005","5.9922","0.0004","8.2491","0.0006","90","","97.669","0.002","90","","356.93","0.04","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H5 N7 O3 -","- C3 H5 N7 O3 -","- C6 H10 N14 O6 -","2","0.5","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole","CrystEngComm","2025","27","16","2570","2576","10.1039/D5CE00030K","","","0.71073","MoKα","","0.0507","0.041","","","0.1006","0.1067","","","","","","1.083","","","","has coordinates","300706","2025-07-06","15:06:06",""
"7250104","7.7908","0.001","15.457","0.002","7.2605","0.0011","90","","114.635","0.004","90","","794.75","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N9 O2 -","- C3 H7 N9 O2 -","- C12 H28 N36 O8 -","4","1","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole","CrystEngComm","2025","27","16","2570","2576","10.1039/D5CE00030K","","","0.71073","MoKα","","0.0769","0.05","","","0.1125","0.1225","","","","","","1.075","","","","has coordinates","300706","2025-07-06","15:06:06",""
"7250105","3.8698","0.0002","8.331","0.0005","11.6487","0.0008","90","","95.015","0.002","90","","374.11","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H6 N8 O2 -","- C3 H6 N8 O2 -","- C6 H12 N16 O4 -","2","1","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole","CrystEngComm","2025","27","16","2570","2576","10.1039/D5CE00030K","","","0.71073","MoKα","","0.0371","0.0322","","","0.0728","0.0758","","","","","","1.109","","","","has coordinates","300706","2025-07-06","15:06:06",""
"7250106","6.5314","0.0004","25.0039","0.0017","9.2895","0.0006","90","","90","","90","","1517.07","0.17","296","2","296","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C3 H8 N10 O -","- C3 H8 N10 O -","- C24 H64 N80 O8 -","8","0.5","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole","CrystEngComm","2025","27","16","2570","2576","10.1039/D5CE00030K","","","0.71073","MoKα","","0.081","0.0743","","","0.1669","0.172","","","","","","1.06","","","","has coordinates","300706","2025-07-06","15:06:06",""
"7250107","9.2271","0.0012","14.2917","0.0017","6.4999","0.0008","90","","101.078","0.004","90","","841.18","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H9 N9 O2 -","- C3 H9 N9 O2 -","- C12 H36 N36 O8 -","4","1","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole","CrystEngComm","2025","27","16","2570","2576","10.1039/D5CE00030K","","","0.71073","MoKα","","0.0738","0.0535","","","0.143","0.1554","","","","","","1.056","","","","has coordinates","300706","2025-07-06","15:06:07",""
"7250108","10.777847","0.000009","10.777847","0.000009","37.81681","0.00003","90","","90","","120","","3804.34","0.005","290","","290","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","Ca10Ni0.5V7O28","- Ca10 Ni0.5 O28 V7 -","- Ca10.049 Ni0.451 O28 V7 -","- Ca60.294 Ni2.706 O168 V42 -","6","0.333333","","Rahimi Mosafer, Houri S.; Sánchez-Martín, Josu; Errandonea, Daniel; Turnbull, Robin; Ibáñez-Insa, Jordi; Oliva, Robert; Fitch, Andrew; Popescu, Catalin; Kozłowski, Mirosław; Martin, Christine; Maximenko, Alexey; Wolska, Anna; Klepka, Marcin; Minikayev, Roman; Paszkowicz, Wojciech","Exploring thermal and elastic properties of Ca10Ni0.5(VO4)7: a study involving the use of synchrotron radiation facilities","CrystEngComm","2025","27","15","2343","2353","10.1039/D4CE01033G","powder diffraction","","0.354207","?synchrotron?","","","","","","","","","8.0023","3.06","","","","","","","has coordinates","300724","2025-07-06","15:10:54",""
"7250109","10.754139","0.00001","10.754139","0.00001","37.72676","0.00004","90","","90","","120","","3778.6","0.006","50","","50","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","Ca10Ni0.5V7O28","- Ca10 Ni0.5 O28 V7 -","- Ca10.065 Ni0.435 O28 V7 -","- Ca60.39 Ni2.61 O168 V42 -","6","0.333333","","Rahimi Mosafer, Houri S.; Sánchez-Martín, Josu; Errandonea, Daniel; Turnbull, Robin; Ibáñez-Insa, Jordi; Oliva, Robert; Fitch, Andrew; Popescu, Catalin; Kozłowski, Mirosław; Martin, Christine; Maximenko, Alexey; Wolska, Anna; Klepka, Marcin; Minikayev, Roman; Paszkowicz, Wojciech","Exploring thermal and elastic properties of Ca10Ni0.5(VO4)7: a study involving the use of synchrotron radiation facilities","CrystEngComm","2025","27","15","2343","2353","10.1039/D4CE01033G","powder diffraction","","0.354207","synchrotron","","","","","","","","","7.4933","2.54","","","","","","","has coordinates","300724","2025-07-06","15:10:55",""
"7250110","19.1222","0.0009","8.7885","0.0004","14.5433","0.0007","90","","90","","90","","2444.1","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9 H11 Cu I N S2 -","- C9 H11 Cu I N S2 -","- C72 H88 Cu8 I8 N8 S16 -","8","1","","Mishra, Anrudh; Pandey, Dilip; Maurya, Sarvesh Kumar; Raghuvanshi, Abhinav","Sunlight-driven photocatalytic degradation of organic dyes using Cu(i) coordination polymers: an efficient and recyclable solution for wastewater remediation","CrystEngComm","2025","27","16","2462","2469","10.1039/D5CE00124B","","","0.71073","MoKα","","0.0341","0.0304","","","0.0774","0.0809","","","","","","0.853","","","","has coordinates","300707","2025-07-06","15:06:14",""
"7250111","18.7689","0.0004","8.6676","0.0003","14.2353","0.0004","90","","90","","90","","2315.82","0.11","298","","298","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9 H11 Br Cu N S2 -","- C9 H11 Br Cu N S2 -","- C72 H88 Br8 Cu8 N8 S16 -","8","1","","Mishra, Anrudh; Pandey, Dilip; Maurya, Sarvesh Kumar; Raghuvanshi, Abhinav","Sunlight-driven photocatalytic degradation of organic dyes using Cu(i) coordination polymers: an efficient and recyclable solution for wastewater remediation","CrystEngComm","2025","27","16","2462","2469","10.1039/D5CE00124B","","x-ray","0.71073","MoKα","","0.0568","0.0342","","","0.0769","0.0879","","","","","","1.064","","","","has coordinates","300707","2025-07-06","15:06:15",""
"7250112","19.6964","0.0007","17.1246","0.0006","12.4454","0.0004","90","","89.952","0.003","90","","4197.7","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 Cl4 N4 O12 Tb2 -","- C30 H46 Cl4 N4 O12 Tb2 -","- C120 H184 Cl16 N16 O48 Tb8 -","4","0.5","","Cao, Lin-Bo; Wang, Hao; Wang, Tian-Tian; Sun, Wen-Bin","Fluorescence quenching-based sensing of ofloxacin using dual-nuclear terbium complex","CrystEngComm","2025","27","15","2366","2370","10.1039/D5CE00165J","","x-ray","0.71073","MoKα","","0.0326","0.0249","","","0.0543","0.0568","","","","","","1.045","","","","has coordinates","300723","2025-07-06","15:10:38",""
"7250113","8.5168","0.0001","11.751","0.0002","14.3094","0.0003","110.381","0.002","91.88","0.002","94.517","0.002","1335.49","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","EG-2MIE","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C52 H64 N8 O20 -","4","2","","Pan, Ziqi; Zhang, Menglong; Hou, Xinyu; Yang, Huiwen; Rong, Hua; Song, Haibin; Zhang, Yong; Chen, Wei; Wu, Songgu","Improvement of humidity stability of ethyl gallate by the cocrystal strategy and study of dissolution behavior of the cocrystal","CrystEngComm","2025","27","16","2577","2590","10.1039/D5CE00174A","","","1.54184","CuKα","","0.0464","0.0452","","","0.1299","0.1312","","","","","","1.061","","","","has coordinates,has disorder","300703","2025-07-06","15:04:49",""
"7250114","7.0043","0.0002","11.7986","0.0003","14.0615","0.0004","79.478","0.002","83.701","0.002","82.92","0.002","1129.27","0.05","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","EG-Hydrate","","- C9 H15 O7.5 -","- C9 H15 O7.5 -","- C36 H60 O30 -","4","2","","Pan, Ziqi; Zhang, Menglong; Hou, Xinyu; Yang, Huiwen; Rong, Hua; Song, Haibin; Zhang, Yong; Chen, Wei; Wu, Songgu","Improvement of humidity stability of ethyl gallate by the cocrystal strategy and study of dissolution behavior of the cocrystal","CrystEngComm","2025","27","16","2577","2590","10.1039/D5CE00174A","","x-ray","1.54184","CuKα","","0.034","0.0323","","","0.0906","0.0919","","","","","","1.06","","","","has coordinates","300703","2025-07-06","15:04:49",""
"7250115","6.8673","0.0007","11.7052","0.0011","17.4705","0.0014","90","","92.559","0.008","90","","1402.9","0.2","222.97","0.1","222.97","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","FYX-HCl-H2O","","- C13 H11 Cl N6 O -","- C13 H11 Cl N6 O -","- C52 H44 Cl4 N24 O4 -","4","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","27","16","2534","2544","10.1039/D5CE00073D","","x-ray","0.71073","MoKα","","0.1026","0.0613","","","0.1327","0.1703","","","","","","1.061","","","","has coordinates","300701","2025-07-06","15:04:33",""
"7250116","25.4485","0.0008","12.9002","0.0005","4.46615","0.00012","90","","90","","90","","1466.2","0.08","273","0.1","273","0.1","","","","","","","","5","P n n 2","P 2 -2n","34","","FYX–H2SO4 II","","- C13 H10 N6 O4 S -","- C13 H10 N6 O4 S -","- C52 H40 N24 O16 S4 -","4","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","27","16","2534","2544","10.1039/D5CE00073D","","x-ray","1.54184","CuKα","","0.0448","0.0414","","","0.1197","0.1224","","","","","","1.082","","","","has coordinates","300701","2025-07-06","15:04:33",""
"7250117","3.8498","0.0012","12.368","0.003","12.116","0.004","90","","96.377","0.013","90","","573.3","0.3","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","FYX I","","- C13 H8 N6 -","- C13 H8 N6 -","- C26 H16 N12 -","2","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","27","16","2534","2544","10.1039/D5CE00073D","","","1.34139","GaKα","","0.0873","0.0748","","","0.1896","0.1979","","","","","","1.149","","","","has coordinates","300701","2025-07-06","15:04:33",""
"7250118","12.6047","0.0013","25.471","0.003","4.4874","0.0005","90","","90","","90","","1440.7","0.3","150","","150","","","","","","","","","5","P n n 2","P 2 -2n","34","","FYX-H2SO4 II","","- C13 H10 N6 O4 S -","- C13 H10 N6 O4 S -","- C52 H40 N24 O16 S4 -","4","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","27","16","2534","2544","10.1039/D5CE00073D","","","1.34139","GaKα","","0.0372","0.0347","","","0.088","0.0896","","","","","","1.059","","","","has coordinates","300701","2025-07-06","15:04:33",""
"7250119","8.6846","0.0003","17.1907","0.0005","9.6432","0.0003","90","","92.371","0.001","90","","1438.44","0.08","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","FYX-H2SO4 I","","- C13 H10 N6 O4 S -","- C13 H10 N6 O4 S -","- C52 H40 N24 O16 S4 -","4","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","27","16","2534","2544","10.1039/D5CE00073D","","","0.71073","MoKα","","0.0566","0.0435","","","0.0923","0.1056","","","","","","1.165","","","","has coordinates","300701","2025-07-06","15:04:33",""
"7250120","8.1689","0.0002","36.9002","0.0009","9.8982","0.0003","90","","90","","90","","2983.65","0.14","180","0.1","180","0.1","","","","","","","","4","P n c 2","P 2 -2bc","30","","","","- C38.85 H25.18 N5 O0.85 -","- C38.847 H25.179 N5 O0.847 -","- C155.388 H100.716 N20 O3.388 -","4","1","","Huang, Chengrui; Zhou, Jianping; Samedov, Kerim; Zhang, Liang; Peng, Guoqing; Peng, Xiangchao; Chen, Mingxing; Zhang, Dongdong; Cai, Yuanjing","Aggregation-enhanced TADF in deep-red emitters for high-performance OLEDs","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP00499C","","x-ray","0.71073","MoKα","","0.0736","0.0641","","","0.1756","0.1817","","","","","","1.072","","","","has coordinates,has disorder","298498","2025-03-18","10:56:03",""
"7250121","22.3617","0.0011","10.6853","0.0004","11.8757","0.0005","90","","99.54","0.004","90","","2798.4","0.2","180","0.1","180","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H23 N5 -","- C38 H23 N5 -","- C152 H92 N20 -","4","1","","Huang, Chengrui; Zhou, Jianping; Samedov, Kerim; Zhang, Liang; Peng, Guoqing; Peng, Xiangchao; Chen, Mingxing; Zhang, Dongdong; Cai, Yuanjing","Aggregation-enhanced TADF in deep-red emitters for high-performance OLEDs","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP00499C","","x-ray","0.71073","MoKα","","0.1","0.0712","","","0.1437","0.1556","","","","","","1.044","","","","has coordinates","298498","2025-03-18","10:56:04",""
"7250122","24.9637","0.0008","8.0804","0.0003","31.0995","0.0013","90","","113.36","0.004","90","","5759.1","0.4","180","0.1","180","0.1","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C66 H42 N6 -","- C66 H42 N6 -","- C264 H168 N24 -","4","1","","Huang, Chengrui; Zhou, Jianping; Samedov, Kerim; Zhang, Liang; Peng, Guoqing; Peng, Xiangchao; Chen, Mingxing; Zhang, Dongdong; Cai, Yuanjing","Aggregation-enhanced TADF in deep-red emitters for high-performance OLEDs","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP00499C","","x-ray","0.71073","MoKα","","0.1242","0.0737","","","0.196","0.2211","","","","","","1.046","","","","has coordinates,has disorder","298498","2025-03-18","10:56:06",""
"7250123","23.7924","0.0009","8.0783","0.0002","11.8488","0.0003","90","","97.077","0.003","90","","2260.01","0.12","100","0.1","100","0.1","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C11.2 H8 O0.4 -","- C11.2 H8 O0.4 -","- C112 H80 O4 -","10","5","","Yang, Bin-Bin; Wu, Si-Yuan; Zhang, Qing-Pu; Ma, Hui; Sun, Yu-Ling; Zhang, Chun","Tetraptycene derivatives: synthesis, structure and their self-assemblies in solid state","RSC Advances","2025","15","11","8293","8299","10.1039/D5RA00376H","","x-ray","1.54184","CuKα","","0.1129","0.1021","","","0.261","0.2746","","","","","","1.136","","","","has coordinates","298499","2025-03-18","11:19:00",""
"7250124","29.0799","0.0002","14.4055","0.0001","22.9347","0.0002","90","","92.971","0.001","90","","9594.67","0.13","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 O4 -","- C32 H28 O4 -","- C512 H448 O64 -","16","2","","Yang, Bin-Bin; Wu, Si-Yuan; Zhang, Qing-Pu; Ma, Hui; Sun, Yu-Ling; Zhang, Chun","Tetraptycene derivatives: synthesis, structure and their self-assemblies in solid state","RSC Advances","2025","15","11","8293","8299","10.1039/D5RA00376H","","x-ray","1.54184","CuKα","","0.0457","0.0405","","","0.1059","0.1099","","","","","","1.044","","","","has coordinates","298499","2025-03-18","11:19:01",""
"7250125","22.5743","0.0003","8.0225","0.0001","11.7565","0.0002","90","","101.648","0.002","90","","2085.28","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","1","","Yang, Bin-Bin; Wu, Si-Yuan; Zhang, Qing-Pu; Ma, Hui; Sun, Yu-Ling; Zhang, Chun","Tetraptycene derivatives: synthesis, structure and their self-assemblies in solid state","RSC Advances","2025","15","11","8293","8299","10.1039/D5RA00376H","","x-ray","1.54184","CuKα","","0.0703","0.0682","","","0.2089","0.2101","","","","","","1.237","","","","has coordinates","298499","2025-03-18","11:19:01",""
"7250126","26.1553","0.0002","11.0118","0.0001","8.9646","0.0001","90","","91.581","0.001","90","","2580.97","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 O8 -","- C31 H32 O8 -","- C124 H128 O32 -","4","1","","Yang, Bin-Bin; Wu, Si-Yuan; Zhang, Qing-Pu; Ma, Hui; Sun, Yu-Ling; Zhang, Chun","Tetraptycene derivatives: synthesis, structure and their self-assemblies in solid state","RSC Advances","2025","15","11","8293","8299","10.1039/D5RA00376H","","x-ray","1.54184","CuKα","","0.0431","0.0418","","","0.1102","0.1113","","","","","","1.046","","","","has coordinates","298499","2025-03-18","11:19:02",""
"7250127","10.2159","0.0006","11.9887","0.0004","12.2929","0.0005","86.478","0.003","89.905","0.004","83.462","0.004","1492.94","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Fe N10 O15.5 -","- C21 H28 Fe N10 O15.5 -","- C42 H56 Fe2 N20 O31 -","2","1","","Danilescu, Olga; Bourosh, Paulina; Bulhac, Ion; Kulikova, Olga; Cocu, Maria; Chumakov, Yurii","Mononuclear high-spin Fe(iii) complexes: synthesis, crystal structures, magnetic and optical properties","CrystEngComm","2025","27","19","3006","3017","10.1039/D5CE00125K","","","0.71073","MoKα","","0.0587","0.0463","","","0.1217","0.132","","","","","","1.003","","","","has coordinates","300699","2025-07-06","15:03:47",""
"7250128","13.4972","0.0005","16.7467","0.0007","17.1179","0.0006","89.179","0.003","71.646","0.003","70.421","0.004","3442","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 Cl3 Fe N7 O18.5 -","- C21 H28 Cl3 Fe N7 O18.5 -","- C84 H112 Cl12 Fe4 N28 O74 -","4","2","","Danilescu, Olga; Bourosh, Paulina; Bulhac, Ion; Kulikova, Olga; Cocu, Maria; Chumakov, Yurii","Mononuclear high-spin Fe(iii) complexes: synthesis, crystal structures, magnetic and optical properties","CrystEngComm","2025","27","19","3006","3017","10.1039/D5CE00125K","","","0.71073","MoKα","","0.1326","0.0902","","","0.2655","0.3042","","","","","","1.005","","","","has coordinates,has disorder","300699","2025-07-06","15:03:47",""
"7250129","7.9903","0.0004","11.0983","0.0004","18.2204","0.0009","92.71","0.004","99.636","0.004","103.104","0.004","1545.36","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H28 O3 -","- C41 H28 O3 -","- C82 H56 O6 -","2","1","","Shehayeb, Elissa O.; Assoud, Abdeljalil; Au, Vonika Ka-Man","Aldehyde-based triphenylethylene organic crystals for aniline vapour detection","CrystEngComm","2025","27","16","2470","2476","10.1039/D5CE00022J","","","0.71073","MoKα","","0.0854","0.0681","","","0.1461","0.1525","","","","","","1.236","","","","has coordinates","300710","2025-07-06","15:07:14",""
"7250130","12.7602","0.0001","15.6164","0.0002","21.3741","0.0002","90","","99.829","0.001","90","","4196.66","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 Cl6 N2 Pd -","- C42 H50 Cl6 N2 Pd -","- C168 H200 Cl24 N8 Pd4 -","4","1","","Donati, Chiara; Hashim, Ishfaq Ibni; Pozsoni, Nestor Bracho; Bourda, Laurens; Van Hecke, Kristof; Cazin, Catherine S. J.; Visentin, Fabiano; Nolan, Steven P.; Gandin, Valentina; Scattolin, Thomas","Investigation of the In Vitro Anticancer Potential of Bis(imino)acenaphthene-N-Heterocyclic Carbene Transition Metal Complexes Revealed TrxR Inhibition and Triggering of Immunogenic Cell Death (ICD) for Allyl Palladates","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00039D","","x-ray","1.54184","CuKα","","0.0596","0.0425","","","0.1049","0.1164","","","","","","1.021","","","","has coordinates,has disorder","298533","2025-03-20","01:16:56",""
"7250131","8.6243","0.0006","20.6113","0.0013","10.7734","0.0007","90","","102.261","0.002","90","","1871.4","0.2","297.75","","297.75","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N5 O3 S -","- C19 H21 N5 O3 S -","- C76 H84 N20 O12 S4 -","4","1","","Polo-Cuadrado, Efraín; Acosta-Quiroga, Karen; Rojas-Peña, Cristian; Rodriguez-Nuñez, Yeray A.; Blanco-Acuña, Edgard Fabián; Lopez, Jhon J.; Brito, Iván; Cisterna, Jonathan; Alderete, Joel B.; Gutiérrez, Margarita","Regioselective cyclocondensations with thiobarbituric acid: spirocyclic and azocine products, X-ray characterization, and antioxidant evaluation","RSC Advances","2025","15","11","8609","8621","10.1039/D4RA07966C","","","0.71073","MoKα","","0.0566","0.0438","","","0.1104","0.1192","","","","","","1.058","","","","has coordinates","298537","2025-03-20","02:37:43",""
"7250132","14.586","0.0003","14.586","0.0003","17.4069","0.0003","90","","90","","120","","3207.19","0.11","99.99","0.1","99.99","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H24 F3 La O18 -","- C9 H24 F3 La O18 -","- C54 H144 F18 La6 O108 -","6","0.333333","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0321","0.0314","","","0.08","0.0805","","","","","","1.083","","","","has coordinates","300709","2025-07-06","15:07:06",""
"7250133","12.011","0.002","26.422","0.005","10.489","0.002","90","","108.86","0.03","90","","3150","1.1","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15.5 Br5 La N2 O11.75 -","- C27 H12 Br5 La N2 O10 -","- C108 H48 Br20 La4 N8 O40 -","4","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","","0.710917","Synchrotron","","0.0746","0.0605","","","0.1583","0.171","","","","","","1.038","","","","has coordinates","300709","2025-07-06","15:07:06",""
"7250134","11.8532","0.0002","26.2857","0.0004","10.5597","0.0002","90","","107.882","0.002","90","","3131.14","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Cl5 La N2 O13 -","- C27 H16 Cl5 La N2 O12 -","- C108 H64 Cl20 La4 N8 O48 -","4","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0409","0.0375","","","0.0896","0.091","","","","","","1.045","","","","has coordinates","300709","2025-07-06","15:07:06",""
"7250135","10.8019","0.0004","12.6028","0.0005","13.3338","0.0005","109.799","0.003","90.154","0.003","108.366","0.003","1608.68","0.12","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Br4 La N O11 -","- C28 H24 Br4 La N O11 -","- C56 H48 Br8 La2 N2 O22 -","2","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.1037","0.1017","","","0.2876","0.2919","","","","","","1.37","","","","has coordinates,has disorder","300709","2025-07-06","15:07:06",""
"7250136","11.7957","0.0003","26.311","0.0005","10.5813","0.0003","90","","108.089","0.003","90","","3121.67","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Cl5 La N2 O13 -","- C27 H18 Cl5 La N2 O13 -","- C108 H72 Cl20 La4 N8 O52 -","4","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0582","0.0494","","","0.1311","0.138","","","","","","1.142","","","","has coordinates","300709","2025-07-06","15:07:06",""
"7250137","10.7111","0.0003","11.8605","0.0004","13.2161","0.0004","97.055","0.002","94.584","0.002","107.293","0.003","1578.87","0.09","101","2","101","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H28 Br4 La N O19 -","- C19 H24 Br4 La N O19 -","- C38 H48 Br8 La2 N2 O38 -","2","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0399","0.0382","","","0.1057","0.107","","","","","","1.118","","","","has coordinates,has disorder","300709","2025-07-06","15:07:06",""
"7250138","13.0706","0.0002","13.8311","0.0002","18.0949","0.0002","92.541","0.001","90.289","0.001","101.008","0.001","3207.56","0.08","99.98","0.1","99.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 Cl8 La2 N6 O29 -","- C46 H50 Cl8 La2 N6 O29 -","- C92 H100 Cl16 La4 N12 O58 -","2","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0481","0.0463","","","0.1276","0.1294","","","","","","1.049","","","","has coordinates","300709","2025-07-06","15:07:06",""
"7250139","10.7781","0.0004","11.4423","0.0004","12.9249","0.0004","103.513","0.003","94.393","0.003","106.749","0.003","1466.26","0.1","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl4 La N O12 -","- C25 H22 Cl4 La N O12 -","- C50 H44 Cl8 La2 N2 O24 -","2","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0404","0.0381","","","0.1016","0.1038","","","","","","1.0331","","","","has coordinates,has disorder","300709","2025-07-06","15:07:06",""
"7250140","12.1099","0.0001","26.346","0.0002","10.5165","0.0001","90","","108.823","0.001","90","","3175.82","0.05","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Br5 La N2 O13 -","- C27 H12 Br5 La N2 O13 -","- C108 H48 Br20 La4 N8 O52 -","4","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0263","0.0259","","","0.0637","0.064","","","","","","1.0592","","","","has coordinates","300709","2025-07-06","15:07:06",""
"7250141","10.7076","0.0003","15.1774","0.0007","24.6897","0.0008","90","","101.81","0.002","90","","3927.5","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H80 Ag2 B6 F16 N28 -","- C68 H80 Ag2 B6 F16 N28 -","- C136 H160 Ag4 B12 F32 N56 -","2","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0362","0.0339","","","0.093","0.0944","","","","","","1.043","","","","has coordinates,has disorder","300693","2025-07-06","15:00:03",""
"7250142","10.7065","0.0003","15.4255","0.0003","24.8186","0.0005","90","","100.862","0.002","90","","4025.43","0.16","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H80 Ag2 B4 F20 N28 P2 -","- C68 H80 Ag2 B4 F20 N28 P2 -","- C136 H160 Ag4 B8 F40 N56 P4 -","2","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0539","0.0456","","","0.1141","0.1191","","","","","","1.035","","","","has coordinates,has disorder","300693","2025-07-06","15:00:03",""
"7250143","11.8538","0.0004","12.0482","0.0004","14.9556","0.0005","84.711","0.003","70.296","0.003","72.827","0.003","1921.14","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H84 Ag2 B6 F16 N24 O2 -","- C67 H84 Ag2 B6 F16 N24 O2 -","- C67 H84 Ag2 B6 F16 N24 O2 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0572","0.0497","","","0.1221","0.1288","","","","","","1.112","","","","has coordinates,has disorder","300693","2025-07-06","15:00:03",""
"7250144","4.8187","0.001","18.098","0.004","20.308","0.004","77.995","0.006","89.089","0.006","85.412","0.006","1726.8","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H68 Ag2 B4 F12 N24 O4 P2 -","- C60 H68 Ag2 B4 F12 N24 O4 P2 -","- C60 H68 Ag2 B4 F12 N24 O4 P2 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","","0.71073","MoKα","","0.1026","0.0513","","","0.0982","0.1139","","","","","","0.994","","","","has coordinates","300693","2025-07-06","15:00:03",""
"7250145","9.1775","0.0008","10.1075","0.0008","43.74","0.004","95.436","0.006","94.643","0.007","92.586","0.007","4020.2","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H70 Ag5 B4 F18 N24 O11 P5 -","- C60 H70 Ag5 B4 F18 N24 O11 P5 -","- C120 H140 Ag10 B8 F36 N48 O22 P10 -","2","1","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.1466","0.1189","","","0.2599","0.2799","","","","","","1.054","","","","has coordinates","300693","2025-07-06","15:00:03",""
"7250146","11.3667","0.0004","16.8858","0.0005","16.9432","0.0006","61.779","0.002","85.708","0.003","74.541","0.002","2756.75","0.17","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C90 H102 Ag2 B6 F24 N36 P2 -","- C90 H102 Ag2 B6 F24 N36 P2 -","- C90 H102 Ag2 B6 F24 N36 P2 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0639","0.053","","","0.1341","0.1418","","","","","","1.029","","","","has coordinates","300693","2025-07-06","15:00:03",""
"7250147","9.2212","0.0003","10.1196","0.0003","43.8086","0.0017","95.07","0.003","94.753","0.003","92.657","0.003","4052.1","0.2","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H70 Ag5 B4 Cl5 F8 N24 O21 -","- C60 H70 Ag5 B4 Cl5 F8 N24 O21 -","- C120 H140 Ag10 B8 Cl10 F16 N48 O42 -","2","1","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","0.71073","MoKα","","0.1733","0.0828","","","0.2262","0.2625","","","","","","0.919","","","","has coordinates","300693","2025-07-06","15:00:04",""
"7250148","4.9084","0.0002","18.173","0.0007","20.2142","0.0007","77.493","0.003","89.044","0.003","83.528","0.003","1749.05","0.12","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H68 Ag2 B4 Cl2 F8 N24 O8 -","- C60 H68 Ag2 B4 Cl2 F8 N24 O8 -","- C60 H68 Ag2 B4 Cl2 F8 N24 O8 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.052","0.0501","","","0.1351","0.1379","","","","","","1.037","","","","has coordinates","300693","2025-07-06","15:00:04",""
"7250149","10.7497","0.0004","15.1327","0.0004","24.7495","0.0007","90","","101.452","0.002","90","","3945.9","0.2","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H80 Ag2 B4 Cl2 F8 N28 O8 -","- C68 H80 Ag2 B4 Cl2 F8 N28 O8 -","- C136 H160 Ag4 B8 Cl4 F16 N56 O16 -","2","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0373","0.0345","","","0.0949","0.0963","","","","","","1.062","","","","has coordinates","300693","2025-07-06","15:00:04",""
"7250150","9.2292","0.0003","24.4944","0.001","17.7165","0.0005","90","","90","","90","","4005.1","0.2","100","","100","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C34 H40 Ag B2 F4 N14 O4 Re -","- C34 H40 Ag B2 F4 N14 O4 Re -","- C136 H160 Ag4 B8 F16 N56 O16 Re4 -","4","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0713","0.0632","","","0.1724","0.1819","","","","","","1.049","","","","has coordinates","300693","2025-07-06","15:00:04",""
"7250151","21.2429","0.0008","18.7393","0.0006","9.1588","0.0004","90","","93.488","0.003","90","","3639.2","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Ag2 B2 F4 N14 O6 -","- C30 H34 Ag2 B2 F4 N14 O6 -","- C120 H136 Ag8 B8 F16 N56 O24 -","4","1","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0706","0.056","","","0.1468","0.1593","","","","","","1.051","","","","has coordinates","300693","2025-07-06","15:00:04",""
"7250152","7.3962","0.0003","7.7483","0.0003","10.1053","0.0003","74.404","0.003","72.51","0.003","75.828","0.003","523.46","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H32 N2 O8 S2 -","- C14 H32 N2 O8 S2 -","- C14 H32 N2 O8 S2 -","1","0.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0308","0.0306","","","0.0884","0.0887","","","","","","1.0517","","","","has coordinates","300694","2025-07-06","15:02:11",""
"7250153","10.586","0.0003","11.312","0.0004","11.39","0.0004","68.084","0.003","66.508","0.003","64.091","0.003","1091.91","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 F4 I2 N6 O14 -","- C38 H46 F4 I2 N6 O14 -","- C38 H46 F4 I2 N6 O14 -","1","0.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.068","0.0674","","","0.1793","0.1798","","","","","","1.0417","","","","has coordinates","300694","2025-07-06","15:02:11",""
"7250154","8.5145","0.0002","14.7946","0.0003","10.0414","0.0002","90","","104.389","0.002","90","","1225.22","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 N4 O6 S4 -","- C16 H32 N4 O6 S4 -","- C32 H64 N8 O12 S8 -","2","0.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0329","0.0313","","","0.0844","0.0861","","","","","","1.0475","","","","has coordinates","300694","2025-07-06","15:02:11",""
"7250155","7.543","0.0001","11.822","0.0001","20.072","0.0002","90","","99.41","0.001","90","","1765.8","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 N6 O14 -","- C32 H46 N6 O14 -","- C64 H92 N12 O28 -","2","0.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0403","0.0365","","","0.0934","0.0962","","","","","","1.0273","","","","has coordinates","300694","2025-07-06","15:02:11",""
"7250156","10.146","0.0002","14.144","0.0004","14.505","0.0003","91.7","0.0019","105.501","0.0019","101.171","0.002","1960.51","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 N2 O6 S2 -","- C22 H40 N2 O6 S2 -","- C66 H120 N6 O18 S6 -","3","1.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0449","0.0416","","","0.1125","0.1159","","","","","","1.0253","","","","has coordinates,has disorder","300694","2025-07-06","15:02:11",""
"7250157","8.382","0.0001","11.492","0.0002","19.223","0.0003","86.229","0.002","80.13","0.001","84.865","0.002","1814.54","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H46 N6 O14 -","- C32 H46 N6 O14 -","- C64 H92 N12 O28 -","2","1","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0664","0.06","","","0.1544","0.1588","","","","","","1.0473","","","","has coordinates","300694","2025-07-06","15:02:11",""
"7250158","8.189","0.0001","14.73","0.0001","21.856","0.0002","90","","90.56","0.001","90","","2636.23","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 N2 O7 S2 -","- C22 H42 N2 O7 S2 -","- C88 H168 N8 O28 S8 -","4","1","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0343","0.0319","","","0.0808","0.0826","","","","","","1.0311","","","","has coordinates,has disorder","300694","2025-07-06","15:02:11",""
"7250159","11.5","0.0001","16.761","0.0002","19.589","0.0002","104.953","0.001","91.171","0.001","95.137","0.001","3629.58","0.07","99.98","0.11","99.98","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C32 H46 N6 O14 -","- C32 H46 N6 O14 -","- C128 H184 N24 O56 -","4","2","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0487","0.0455","","","0.1465","0.15","","","","","","1.0377","","","","has coordinates","300694","2025-07-06","15:02:11",""
"7250160","9.5658","0.0008","8.2756","0.0005","22.671","0.002","90","","99.436","0.009","90","","1770.4","0.2","120","0.4","120","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O4 -","- C19 H21 N3 O4 -","- C76 H84 N12 O16 -","4","1","","Arteaga Giraldo, Juan J.; Söhnel, Tilo; Kilmartin, Paul A.; Sperry, Jonathan","Electrochemical oxidation–cyclocondensation of chitin-derived 3-acetamido-5-acetylfuran (3A5AF) for the synthesis of 3-acetyl-4-acetamidopyrrolin-2-ones","Green Chemistry","2025","27","16","4259","4266","10.1039/D4GC06067A","","x-ray","1.54184","CuKα","","0.1029","0.0823","","","0.1888","0.198","","","","","","1.2","","","","has coordinates","301004","2025-07-06","17:20:23",""
"7250161","10.0382","0.0002","10.0382","0.0002","7.9849","0.0002","90","","90","","120","","696.81","0.03","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C6 H14 Cs I3 N2 -","- C6 H14 Cs I3 N2 -","- C12 H28 Cs2 I6 N4 -","2","0.0833333","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0244","0.0233","","","0.0522","0.0524","","","","","","1.293","","","","has coordinates","300705","2025-07-06","15:05:21",""
"7250162","16.3508","0.0002","16.3508","0.0002","21.9979","0.0002","90","","90","","120","","5093.19","0.1","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 H14 Br3 N2 Na -","- C6 H14 Br3 N2 Na -","- C108 H252 Br54 N36 Na18 -","18","0.5","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","1.54184","CuKα","","0.016","0.0159","","","0.0375","0.0375","","","","","","1.146","","","","has coordinates","300705","2025-07-06","15:05:23",""
"7250163","16.0388","0.0002","16.0388","0.0002","22.2094","0.0004","90","","90","","120","","4947.79","0.12","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 H14 Cl3 K N2 -","- C6 H14 Cl3 K N2 -","- C108 H252 Cl54 K18 N36 -","18","0.5","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0164","0.0159","","","0.0422","0.0424","","","","","","1.157","","","","has coordinates","300705","2025-07-06","15:05:30",""
"7250164","9.77","0.0001","9.77","0.0001","11.9653","0.0002","90","","90","","120","","989.11","0.02","150","2","150","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C6 H14 Cl2 Cs I N2 -","- C6 H14 Cl2 Cs I N2 -","- C18 H42 Cl6 Cs3 I3 N6 -","3","0.5","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0186","0.0173","","","0.0354","0.0357","","","","","","1.037","","","","has coordinates","300705","2025-07-06","15:05:30",""
"7250165","9.8044","0.0002","9.8273","0.0003","27.3662","0.0007","90","","90","","90","","2636.75","0.12","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H14 Br3 Cs N2 -","- C6 H14 Br3 Cs N2 -","- C48 H112 Br24 Cs8 N16 -","8","1","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0429","0.0344","","","0.0802","0.0832","","","","","","1.052","","","","has coordinates,has disorder","300705","2025-07-06","15:05:30",""
"7250166","16.5223","0.0003","16.5223","0.0003","23.0126","0.0006","90","","90","","120","","5440.5","0.2","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 H14 Br3 K N2 -","- C6 H14 Br3 K N2 -","- C108 H252 Br54 K18 N36 -","18","0.5","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0222","0.0198","","","0.0495","0.05","","","","","","1.064","","","","has coordinates","300705","2025-07-06","15:05:31",""
"7250167","9.6698","0.0007","9.6698","0.0007","12.2899","0.0009","90","","90","","120","","995.21","0.13","153","2","153","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H14 I3 K N2 -","- C6 H14 I3 K N2 -","- C18 H42 I9 K3 N6 -","3","0.166667","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0693","0.0667","","","0.1542","0.1553","","","","","","1.296","","","","has coordinates","300705","2025-07-06","15:05:40",""
"7250168","15.8747","0.0001","15.8747","0.0001","21.1921","0.0002","90","","90","","120","","4625.04","0.06","149.98","0.1","149.98","0.1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 H14 Cl3 N2 Na -","- C6 H14 Cl3 N2 Na -","- C108 H252 Cl54 N36 Na18 -","18","0.5","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","x-ray","1.54184","CuKα","","0.023","0.0226","","","0.0777","0.0781","","","","","","1.034","","","","has coordinates","300705","2025-07-06","15:05:41",""
"7250169","41.1638","0.0016","9.4899","0.0001","32.6647","0.0013","90","","131.638","0.007","90","","9536.4","1.2","149.99","0.1","149.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 Cl12 Cs4 N8 -","- C24 H56 Cl12 Cs4 N8 -","- C192 H448 Cl96 Cs32 N64 -","8","1","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0374","0.0295","","","0.0703","0.0735","","","","","","1.027","","","","has coordinates","300705","2025-07-06","15:05:50",""
"7250170","20.809","0.003","18.499","0.002","10.0983","0.0012","90","","95.989","0.006","90","","3866.1","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H41 O12 S4 -","- C38 H41 O12 S4 -","- C152 H164 O48 S16 -","4","0.5","","Lei, Min; Jiang, Lisha; Wang, Chunhui; Song, Jianxin; Liu, Wei; Qiu, Jie","A flexible molecular organic crystal with π–π bonding for the highly selective recognition of hydrogen isotopes","CrystEngComm","2025","27","16","2591","2599","10.1039/D5CE00221D","","","0.71073","MoKα","","0.1062","0.0772","","","0.1755","0.191","","","","","","1.117","","","","has coordinates,has disorder","300704","2025-07-06","15:04:56",""
"7250171","9.6238","0.0004","25.2734","0.0012","10.8726","0.0005","90","","90","","90","","2644.5","0.2","150.15","","150.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","JNU-S","","- C32 H29 N O4 S -","- C32 H29 N O4 S -","- C128 H116 N4 O16 S4 -","4","0.5","","Lin, Mengdi; Zhang, Shilong; Liang, Xuefeng; Shan, Zhenhua; Yang, Wenqian; Xie, Haijiao","Modulation of fluorescence in novel A–D–A type phenothiazine derivatives via oxidation","RSC Advances","2025","15","12","8851","8854","10.1039/D5RA01383F","","","1.34138","GaKα","","0.0395","0.036","","","0.094","0.0965","","","","","","1.052","","","","has coordinates,has disorder","298562","2025-03-22","02:26:44",""
"7250172","8.1919","0.0007","27.329","0.002","11.613","0.0009","90","","90","","90","","2599.9","0.4","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H29 N O6 S -","- C32 H29 N O6 S -","- C128 H116 N4 O24 S4 -","4","0.5","","Lin, Mengdi; Zhang, Shilong; Liang, Xuefeng; Shan, Zhenhua; Yang, Wenqian; Xie, Haijiao","Modulation of fluorescence in novel A–D–A type phenothiazine derivatives via oxidation","RSC Advances","2025","15","12","8851","8854","10.1039/D5RA01383F","","","1.34138","GaKα","","0.036","0.0348","","","0.0968","0.0978","","","","","","1.043","","","","has coordinates,has disorder","298562","2025-03-22","02:26:45",""
"7250173","12.5288","0.0005","14.6591","0.0005","16.0719","0.0006","90","","90","","90","","2951.78","0.19","100","0.2","100","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H15 N O -","- C21 H15 N O -","- C168 H120 N8 O8 -","8","1","","Yang, Fang; Wang, Lin-Lin; Liu, Yu-Hua; Wu, Ke-Xin; Chen, Zi-Sheng; Ji, Kegong","Brønsted acid-catalyzed two-component tandem condensation and cycloisomerization to 6(2H)-isoquinolinones","RSC Advances","2025","15","12","8913","8917","10.1039/D5RA01267H","","x-ray","1.54184","CuKα","","0.0752","0.0591","","","0.1465","0.1607","","","","","","1.023","","","","has coordinates","298572","2025-03-25","02:28:00",""
"7250174","10.078","0.002","9.888","0.002","20.434","0.004","90","","101.85","0.03","90","","1992.9","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(5-(diphenylamino)-2-formylphenoxy)benzonitrile","","- C26 H18 N2 O2 -","- C26 H18 N2 O2 -","- C104 H72 N8 O8 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","27","17","2759","2766","10.1039/D4CE01317D","","","0.7","synchrotron","","0.0949","0.0574","","","0.1433","0.166","","","","","","1.034","","","","has coordinates","300691","2025-07-06","14:58:39",""
"7250175","7.684","0.0015","8.609","0.0017","19.253","0.004","87.9","0.03","89.11","0.03","78.07","0.03","1245.2","0.5","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","2-(2-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-5-(diphenylamino)phenoxy)benzonitrile","","- C32 H24 N4 O4 -","- C32 H24 N4 O4 -","- C64 H48 N8 O8 -","2","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","27","17","2759","2766","10.1039/D4CE01317D","","","0.63","synchrotron","","0.1113","0.102","","","0.31","0.3147","","","","","","1.104","","","","has coordinates","300691","2025-07-06","14:58:39",""
"7250176","7.518","0.0015","36.519","0.007","9.083","0.0018","90","","97.19","0.03","90","","2474.1","0.9","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl (E)-2-cyano-3-(2-(2-cyanophenoxy)-4-(diphenylamino) phenyl)acrylate","","- C31 H23 N3 O3 -","- C31 H23 N3 O3 -","- C124 H92 N12 O12 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","27","17","2759","2766","10.1039/D4CE01317D","","","0.7","synchrotron","","0.1111","0.0546","","","0.119","0.1413","","","","","","1.018","","","","has coordinates","300691","2025-07-06","14:58:39",""
"7250177","8.658","0.0017","10.746","0.002","13.271","0.003","76.39","0.03","74.05","0.03","83.35","0.03","1152.1","0.5","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-cyano-3-(2-(2-cyanophenoxy)-4-(diphenylamino) phenyl)acrylamide","","- C29 H20 N4 O2 -","- C29 H20 N4 O2 -","- C58 H40 N8 O4 -","2","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","27","17","2759","2766","10.1039/D4CE01317D","","","0.63","synchrotron","","0.0546","0.0443","","","0.1167","0.124","","","","","","1.045","","","","has coordinates","300691","2025-07-06","14:58:39",""
"7250178","11.226","0.002","13.215","0.003","16.773","0.003","81.42","0.03","87.99","0.03","69.34","0.03","2301.8","0.9","221","2","221","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-cyano-3-(2-(2-cyanophenoxy)-4-(diphenylamino) phenyl)acrylic acid","","- C29 H19 N3 O3 -","- C29 H19 N3 O3 -","- C116 H76 N12 O12 -","4","2","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","27","17","2759","2766","10.1039/D4CE01317D","","","0.63","synchrotron","","0.1026","0.0763","","","0.2179","0.2387","","","","","","1.069","","","","has coordinates","300691","2025-07-06","14:58:39",""
"7250179","25.471","0.004","26.107","0.004","26.205","0.004","90","","90","","90","","17426","5","170","","170","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C84 H200 Ag40 Nb6 O19 S32 -","- C84 H194 Ag40 Nb6 O19 S32 -","- C336 H776 Ag160 Nb24 O76 S128 -","4","0.5","","Zeng, Li; Lin, Ya-Ting; Hong, Li-Hao; Sun, Yan-Qiong; Xie, Jianping; Zheng, Shou-Tian; Li, Xin-Xiong","A new silver–thiolate nanocluster synthesized utilizing pure-inorganic polyoxoniobate as a starting template and its variable-temperature fluorescence properties","CrystEngComm","2025","27","18","2883","2887","10.1039/D5CE00195A","","","0.71073","MoKα","","0.0368","0.0308","","","0.0696","0.0744","","","","","","1.041","","","","has coordinates","300727","2025-07-06","15:11:23",""
"7250180","5.9476","0.0007","18.2684","0.0019","18.31","0.002","90","","90","","90","","1989.4","0.4","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O2 S Se -","- C22 H24 O2 S Se -","- C88 H96 O8 S4 Se4 -","4","1","","Xiao, Xiao; Tian, Hong-Yu; Sun, Jia-Chen; Bai, Jun; Wang, Min; Chen, Biao; Jin, Yu-Xia; Jiang, Hai-Bo; Cheng, Dang; Chen, Fen-Er","Deuterated methylselenylating reagents designed for diverse Se-methyl-d3 scaffold construction","Green Chemistry","2025","27","17","4779","4794","10.1039/D5GC00193E","","x-ray","1.34139","GaKα","","0.1427","0.1046","","","0.1637","0.1759","","","","","","1.104","","","","has coordinates","301002","2025-07-06","17:20:05",""
"7250181","15.7314","0.0006","5.9645","0.0002","19.2934","0.0007","90","","98.228","0.001","90","","1791.66","0.11","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 D3 O2 S Se -","- C20 H20 O2 S Se -","- C80 H80 O8 S4 Se4 -","4","1","","Xiao, Xiao; Tian, Hong-Yu; Sun, Jia-Chen; Bai, Jun; Wang, Min; Chen, Biao; Jin, Yu-Xia; Jiang, Hai-Bo; Cheng, Dang; Chen, Fen-Er","Deuterated methylselenylating reagents designed for diverse Se-methyl-d3 scaffold construction","Green Chemistry","2025","27","17","4779","4794","10.1039/D5GC00193E","","","1.34139","GaKα","","0.111","0.0725","","","0.1122","0.1189","","","","","","1.048","","","","has coordinates","301002","2025-07-06","17:20:05",""
"7250182","9.0911","0.0007","10.3317","0.0007","13.0377","0.001","86.304","0.003","87.913","0.003","80.022","0.003","1203.16","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H69 Al2 Cl4 N2 O -","- C47 H69 Al2 Cl4 N2 O -","- C47 H69 Al2 Cl4 N2 O -","1","0.5","","Francis, Maria; Shinde, Kishor; Roy, Sudipta","Theoretical and experimental studies on stability, bonding and isolation of elusive bis-(dichloro-aluminium) oxides supported by donor-base ligands","RSC Advances","2025","15","12","9208","9215","10.1039/D5RA00211G","","","0.71073","MoKα","","0.0466","0.0355","","","0.0855","0.0935","","","","","","1.053","","","","has coordinates","298594","2025-03-26","02:29:23",""
"7250183","11.4289","0.0013","14.0183","0.0019","15.0816","0.0019","90","","90","","90","","2416.3","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 Al Cl4 N -","- C20 H32 Al Cl4 N -","- C80 H128 Al4 Cl16 N4 -","4","1","","Francis, Maria; Shinde, Kishor; Roy, Sudipta","Theoretical and experimental studies on stability, bonding and isolation of elusive bis-(dichloro-aluminium) oxides supported by donor-base ligands","RSC Advances","2025","15","12","9208","9215","10.1039/D5RA00211G","","","0.71073","MoKα","","0.0927","0.065","","","0.1591","0.1807","","","","","","1.036","","","","has coordinates","298594","2025-03-26","02:29:25",""
"7250184","13.43","0.0014","8.8535","0.001","11.7594","0.0012","90","","99.231","0.006","90","","1380.1","0.3","281","2","281.59","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lenalidomide Dihydrate","3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","","Zhang, Qi; Zhu, Yitong; Xu, Yisheng; Yang, Huaiyu; Li, Wei; Zhang, Xiangyang","Different thermal and solubility properties with an identical crystal structure – case of lenalidomide hydrate","CrystEngComm","2025","27","18","2815","2823","10.1039/D4CE00798K","","","1.54178","CuKα","","0.1059","0.0806","","","0.2268","0.2677","","","","","","1.063","","","","has coordinates","300726","2025-07-06","15:11:11",""
"7250185","8.1897","0.0005","29.5212","0.0016","8.055","0.0005","90","","99.46","0.006","90","","1921","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Cl2 N O -","- C23 H16 Cl2 N O -","- C92 H64 Cl8 N4 O4 -","4","1","","Xiao, Hui; Ma, HuiLi; Wang, Jingyi; An, Zhongfu; Guo, Zhiyong","Crystallization-induced highly efficient phosphorescence in metal-free organic phosphors","CrystEngComm","2025","27","18","2931","2936","10.1039/D4CE01323A","","","0.71073","MoKα","","0.1179","0.0844","","","0.2427","0.2665","","","","","","1.082","","","","has coordinates","300729","2025-07-06","15:11:39",""
"7250186","10.3584","0.0006","14.3225","0.0007","10.9878","0.0008","90","","109.787","0.007","90","","1533.88","0.17","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N O -","- C22 H14 N O -","- C88 H56 N4 O4 -","4","1","","Xiao, Hui; Ma, HuiLi; Wang, Jingyi; An, Zhongfu; Guo, Zhiyong","Crystallization-induced highly efficient phosphorescence in metal-free organic phosphors","CrystEngComm","2025","27","18","2931","2936","10.1039/D4CE01323A","","","0.71073","MoKα","","0.0895","0.0544","","","0.1144","0.1327","","","","","","1.045","","","","has coordinates","300729","2025-07-06","15:11:40",""
"7250187","11.264","0.0013","10.812","0.011","16.025","0.002","90","","90","","90","","1952","2","296","2","296","2","160000","2","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","","Zieba, Sylwia; Dubis, Alina Teresa; Rusek, Michalina; Katrusiak, Andrzej; Gzella, Andrzej K.; Lapinski, Andrzej","Negative thermal expansion and linear compressibility in 1H-imidazol-3-ium 2-hydroxybenzoate with a helical network of hydrogen bonds","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D4CP04519J","","","0.71073","MoKα","","0.1702","0.0743","","","0.1879","0.2554","","","","","","1.012","","","","has coordinates","298637","2025-03-28","02:10:41",""
"7250188","11.0988","0.0006","10.9361","0.0005","16.4701","0.0009","90","","90","","90","","1999.1","0.18","240","2","240","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Imidazolium 2-hydroxybenzoate","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","","Zieba, Sylwia; Dubis, Alina Teresa; Rusek, Michalina; Katrusiak, Andrzej; Gzella, Andrzej K.; Lapinski, Andrzej","Negative thermal expansion and linear compressibility in 1H-imidazol-3-ium 2-hydroxybenzoate with a helical network of hydrogen bonds","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D4CP04519J","","","0.71073","MoKα","","0.0695","0.0493","","","0.121","0.1362","","","","","","1.074","","","","has coordinates","298637","2025-03-28","02:10:43",""
"7250189","11.0676","0.0005","11.0227","0.0005","16.152","0.0007","90","","90","","90","","1970.46","0.15","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Imidazolium 2-hydroxybenzoate","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","","Zieba, Sylwia; Dubis, Alina Teresa; Rusek, Michalina; Katrusiak, Andrzej; Gzella, Andrzej K.; Lapinski, Andrzej","Negative thermal expansion and linear compressibility in 1H-imidazol-3-ium 2-hydroxybenzoate with a helical network of hydrogen bonds","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D4CP04519J","","","0.71073","MoKα","","0.0476","0.04","","","0.098","0.1037","","","","","","1.084","","","","has coordinates","298637","2025-03-28","02:10:44",""
"7250190","11.54","0.005","10.49","0.04","14.153","0.008","90","","90","","90","","1713","7","296","2","296","2","2270000","2","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","","Zieba, Sylwia; Dubis, Alina Teresa; Rusek, Michalina; Katrusiak, Andrzej; Gzella, Andrzej K.; Lapinski, Andrzej","Negative thermal expansion and linear compressibility in 1H-imidazol-3-ium 2-hydroxybenzoate with a helical network of hydrogen bonds","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D4CP04519J","","","0.71073","MoKα","","0.2344","0.0968","","","0.249","0.3807","","","","","","1.007","","","","has coordinates","298637","2025-03-28","02:10:51",""
"7250191","11.0777","0.0011","10.9375","0.0009","16.688","0.0015","90","","90","","90","","2022","0.3","300","0.1","300","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Imidazolium 2-hydroxybenzoate","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","","Zieba, Sylwia; Dubis, Alina Teresa; Rusek, Michalina; Katrusiak, Andrzej; Gzella, Andrzej K.; Lapinski, Andrzej","Negative thermal expansion and linear compressibility in 1H-imidazol-3-ium 2-hydroxybenzoate with a helical network of hydrogen bonds","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D4CP04519J","","","0.71073","MoKα","","0.0799","0.0524","","","0.1243","0.1418","","","","","","1.067","","","","has coordinates","298637","2025-03-28","02:10:53",""
"7250192","11.1043","0.0005","10.9664","0.0005","16.3069","0.0009","90","","90","","90","","1985.76","0.17","180","0.1","180","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Imidazolium 2-hydroxybenzoate","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","","Zieba, Sylwia; Dubis, Alina Teresa; Rusek, Michalina; Katrusiak, Andrzej; Gzella, Andrzej K.; Lapinski, Andrzej","Negative thermal expansion and linear compressibility in 1H-imidazol-3-ium 2-hydroxybenzoate with a helical network of hydrogen bonds","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D4CP04519J","","","0.71073","MoKα","","0.0604","0.0465","","","0.1049","0.1152","","","","","","1.077","","","","has coordinates","298637","2025-03-28","02:10:53",""
"7250193","11.4739","0.0008","10.652","0.007","15.1725","0.0013","90","","90","","90","","1854.4","1.2","296","2","296","2","950000","2","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","","Zieba, Sylwia; Dubis, Alina Teresa; Rusek, Michalina; Katrusiak, Andrzej; Gzella, Andrzej K.; Lapinski, Andrzej","Negative thermal expansion and linear compressibility in 1H-imidazol-3-ium 2-hydroxybenzoate with a helical network of hydrogen bonds","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D4CP04519J","","x-ray","0.71073","MoKα","","0.1336","0.0535","","","0.1264","0.1688","","","","","","1.014","","","","has coordinates","298637","2025-03-28","02:10:53",""
"7250194","11.5502","0.0008","10.596","0.007","14.816","0.0013","90","","90","","90","","1813.3","1.2","296","2","296","2","1300000","2","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","","Zieba, Sylwia; Dubis, Alina Teresa; Rusek, Michalina; Katrusiak, Andrzej; Gzella, Andrzej K.; Lapinski, Andrzej","Negative thermal expansion and linear compressibility in 1H-imidazol-3-ium 2-hydroxybenzoate with a helical network of hydrogen bonds","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D4CP04519J","","x-ray","0.71073","MoKα","","0.1407","0.0553","","","0.1273","0.1712","","","","","","1.018","","","","has coordinates","298637","2025-03-28","02:10:54",""
"7250195","11.562","0.003","10.656","0.019","14.409","0.003","90","","90","","90","","1775","3","296","2","296","2","1670000","2","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","","Zieba, Sylwia; Dubis, Alina Teresa; Rusek, Michalina; Katrusiak, Andrzej; Gzella, Andrzej K.; Lapinski, Andrzej","Negative thermal expansion and linear compressibility in 1H-imidazol-3-ium 2-hydroxybenzoate with a helical network of hydrogen bonds","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D4CP04519J","","x-ray","0.71073","MoKα","","0.2221","0.0743","","","0.1963","0.2991","","","","","","1.018","","","","has coordinates","298637","2025-03-28","02:10:54",""
"7250196","9.6377","0.0003","15.5333","0.0004","18.4376","0.0005","76.307","0.001","88.371","0.001","82.631","0.001","2659.6","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H57 N7 O9 Zn2 -","- C62 H57 N7 O9 Zn2 -","- C124 H114 N14 O18 Zn4 -","2","1","","Gang, Ruo-Tong; Zhang, Wen-Jing; Yu, Hai-Jun; Li, Zhen-Hui; Li, Yi-Long; Wu, Xue-Ru; Chen, Ming-Guang; Gao, Shu-Man; Shao, Feng","Two zinc(ii)-based coordination polymers as luminescent sensors for detecting salicylaldehyde with high sensitivity and selectivity","CrystEngComm","2025","27","18","2944","2951","10.1039/D4CE01236D","","","0.71073","MoKα","","0.0964","0.0544","","","0.1187","0.1424","","","","","","1.01","","","","has coordinates","300730","2025-07-06","15:12:03",""
"7250197","10.1228","0.0005","11.5907","0.0005","13.8893","0.0007","111.631","0.002","94.164","0.002","101.933","0.002","1462.16","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N6 O4 Zn -","- C34 H24 N6 O4 Zn -","- C68 H48 N12 O8 Zn2 -","2","1","","Gang, Ruo-Tong; Zhang, Wen-Jing; Yu, Hai-Jun; Li, Zhen-Hui; Li, Yi-Long; Wu, Xue-Ru; Chen, Ming-Guang; Gao, Shu-Man; Shao, Feng","Two zinc(ii)-based coordination polymers as luminescent sensors for detecting salicylaldehyde with high sensitivity and selectivity","CrystEngComm","2025","27","18","2944","2951","10.1039/D4CE01236D","","","0.71073","MoKα","","0.0744","0.0502","","","0.1179","0.132","","","","","","1.034","","","","has coordinates","300730","2025-07-06","15:12:03",""
"7250198","7.3902","0.0003","11.2559","0.0005","34.3983","0.0016","97.376","0.003","90.692","0.003","90.181","0.003","2837.4","0.2","200","2","200","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H52 O5 -","- C30 H52 O5 -","- C120 H208 O20 -","4","4","","Nhi Nguyen, Thi Uyen; Kung, Chen-Chen; Liaw, Chia-Ching; Lin, Yu-Chi; Chen, You-Ying; Zheng, Li-Guo; Chien, Su-Ying; Tang, Chi-Chieh; Weng, Jing-Ru; Su, Jui-Hsin; Sheu, Jyh-Horng; Sung, Ping-Jyun","Sarcophytonin H: a novel endoperoxide-containing dihydrofuranocembranoid from an octocoral Sarcophyton species","RSC Advances","2025","15","12","9454","9460","10.1039/D5RA00595G","","","1.54178","CuKα","","0.0841","0.079","","","0.2087","0.2148","","","","","","1.041","","","","has coordinates,has disorder","298652","2025-03-29","02:50:34",""
"7250199","11.299","0.0002","11.3809","0.0002","14.0929","0.0003","90","","90","","90","","1812.25","0.06","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Nhi Nguyen, Thi Uyen; Kung, Chen-Chen; Liaw, Chia-Ching; Lin, Yu-Chi; Chen, You-Ying; Zheng, Li-Guo; Chien, Su-Ying; Tang, Chi-Chieh; Weng, Jing-Ru; Su, Jui-Hsin; Sheu, Jyh-Horng; Sung, Ping-Jyun","Sarcophytonin H: a novel endoperoxide-containing dihydrofuranocembranoid from an octocoral Sarcophyton species","RSC Advances","2025","15","12","9454","9460","10.1039/D5RA00595G","","","1.54178","CuKα","","0.0292","0.0288","","","0.0769","0.0773","","","","","","1.066","","","","has coordinates","298652","2025-03-29","02:50:36",""
"7250200","10.5074","0.0011","12.4178","0.0013","12.4907","0.0013","78.142","0.002","66.982","0.002","78.702","0.002","1455.9","0.3","120","2","120.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H59 Ni3 O41.5 Rb6 -","- C30 H52 Ni3 O38 Rb6 -","- C30 H52 Ni3 O38 Rb6 -","1","0.5","","Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander A.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Alexandrov, Eugeny V.; Kiskin, Mikhail A.; Eremenko, Igor L.","The role of alkali metal cations in the construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates","CrystEngComm","2025","27","20","3352","3361","10.1039/D4CE01319K","","","0.71073","MoKα","","0.028","0.021","","","0.0496","0.0517","","","","","","1.038","","","","has coordinates","300716","2025-07-06","15:08:36",""
"7250201","5.2628","0.0002","10.5543","0.0004","10.7212","0.0004","114.616","0.001","92.679","0.001","101.051","0.002","525.98","0.04","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H24 Cs2 Ni O16 -","- C10 H24 Cs2 Ni O16 -","- C10 H24 Cs2 Ni O16 -","1","0.5","","Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander A.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Alexandrov, Eugeny V.; Kiskin, Mikhail A.; Eremenko, Igor L.","The role of alkali metal cations in the construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates","CrystEngComm","2025","27","20","3352","3361","10.1039/D4CE01319K","","","0.71073","MoKα","","0.04","0.0318","","","0.0639","0.0673","","","","","","1.038","","","","has coordinates","300716","2025-07-06","15:08:36",""
"7250202","5.5034","0.0007","8.4085","0.0011","11.8303","0.0015","81.35","0.002","87.308","0.002","83.679","0.002","537.68","0.12","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H28 Na2 Ni O18 -","- C10 H28 Na2 Ni O18 -","- C10 H28 Na2 Ni O18 -","1","0.5","","Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander A.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Alexandrov, Eugeny V.; Kiskin, Mikhail A.; Eremenko, Igor L.","The role of alkali metal cations in the construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates","CrystEngComm","2025","27","20","3352","3361","10.1039/D4CE01319K","","","0.71073","MoKα","","0.0406","0.0393","","","0.1086","0.1092","","","","","","1.168","","","","has coordinates","300716","2025-07-06","15:08:36",""
"7250203","10.2896","0.0018","12.302","0.002","12.719","0.002","75.425","0.003","66.665","0.002","78.791","0.003","1422.6","0.4","184","2","184.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H60 K6 Ni3 O42 -","- C30 H60 K6 Ni3 O42 -","- C30 H60 K6 Ni3 O42 -","1","0.5","","Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander A.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Alexandrov, Eugeny V.; Kiskin, Mikhail A.; Eremenko, Igor L.","The role of alkali metal cations in the construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates","CrystEngComm","2025","27","20","3352","3361","10.1039/D4CE01319K","","","0.71073","MoKα","","0.0568","0.0423","","","0.0948","0.1012","","","","","","1.043","","","","has coordinates","300716","2025-07-06","15:08:36",""
"7250204","18.6216","0.0006","35.2831","0.0008","10.5028","0.0003","90","","120.91","0.003","90","","5920.6","0.3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 Ca N2 O10 -","- C46 H40 Ca N2 O10 -","- C184 H160 Ca4 N8 O40 -","4","0.5","","Zhao, Baiwen; Clarkson, Guy J.; Liu, Jie; Le, Thi Huong; Marrot, Jérôme; Millange, Franck; Frigoli, Michel; Walton, Richard I.","Structural variety in calcium metal–organic frameworks with a tetratopic carboxylate ligand","CrystEngComm","2025","27","18","2830","2840","10.1039/D5CE00145E","","","0.7293","synchrotron","","0.1423","0.1034","","","0.2659","0.2924","","","","","","0.952","","","","has coordinates","300731","2025-07-06","15:12:27",""
"7250205","11.0429","0.0004","14.6332","0.0005","18.2349","0.0004","99.017","0.002","91.928","0.002","99.224","0.003","2867.36","0.16","100","0.1","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C114 H78 Ca5 O43.8 -","- C114 H78 Ca5 O43.8 -","- C114 H78 Ca5 O43.8 -","1","0.5","","Zhao, Baiwen; Clarkson, Guy J.; Liu, Jie; Le, Thi Huong; Marrot, Jérôme; Millange, Franck; Frigoli, Michel; Walton, Richard I.","Structural variety in calcium metal–organic frameworks with a tetratopic carboxylate ligand","CrystEngComm","2025","27","18","2830","2840","10.1039/D5CE00145E","","","1.54184","CuKα","","0.0892","0.0749","","","0.2173","0.2319","","","","","","1.045","","","","has coordinates,has disorder","300731","2025-07-06","15:12:28",""
"7250206","6.8684","0.0002","13.8322","0.0004","14.4683","0.0005","105.538","0.002","95.126","0.002","101.433","0.002","1283.2","0.07","292","2","292.15","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H36 O10 S2 -","- C42 H36 O10 S2 -","- C42 H36 O10 S2 -","1","0.5","","Zhao, Baiwen; Clarkson, Guy J.; Liu, Jie; Le, Thi Huong; Marrot, Jérôme; Millange, Franck; Frigoli, Michel; Walton, Richard I.","Structural variety in calcium metal–organic frameworks with a tetratopic carboxylate ligand","CrystEngComm","2025","27","18","2830","2840","10.1039/D5CE00145E","","","0.71073","MoKα","","0.0876","0.0724","","","0.2249","0.2456","","","","","","1.046","","","","has coordinates","300731","2025-07-06","15:12:38",""
"7250207","18.603","0.0006","19.2334","0.0007","20.9801","0.0007","66.031","0.004","67.392","0.003","85.309","0.003","6307.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C114 H62 Ca5 O29 -","- C114 H62 Ca5 O29 -","- C228 H124 Ca10 O58 -","2","1","","Zhao, Baiwen; Clarkson, Guy J.; Liu, Jie; Le, Thi Huong; Marrot, Jérôme; Millange, Franck; Frigoli, Michel; Walton, Richard I.","Structural variety in calcium metal–organic frameworks with a tetratopic carboxylate ligand","CrystEngComm","2025","27","18","2830","2840","10.1039/D5CE00145E","","","1.54184","CuKα","","0.1399","0.0902","","","0.2623","0.3028","","","","","","1.006","","","","has coordinates,has disorder","300731","2025-07-06","15:12:38",""
"7250208","7.0067","0.0009","11.6243","0.0015","17.481","0.002","100.627","0.005","97.557","0.005","98.458","0.005","1365.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27.5 H32 N6 O6.5 S -","- C26 H28 N6 O6 S -","- C52 H56 N12 O12 S2 -","2","1","","Prohens, Rafel; Barbas, Rafael; Barceló-Oliver, Miquel; Frontera, Antonio","New salt-solvates of Mirabegron: a combined experimental and computational study","CrystEngComm","2025","27","17","2720","2728","10.1039/D4CE01228C","","","0.71073","MoKα","","0.0927","0.0889","","","0.1985","0.2001","","","","","","1.296","","","","has coordinates,has disorder","300692","2025-07-06","14:58:49",""
"7250209","7.9585","0.0006","9.7595","0.0008","18.6559","0.0016","81.61","0.004","88.461","0.004","83.493","0.003","1424.2","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 N5 O4 S -","- C27 H35 N5 O4 S -","- C54 H70 N10 O8 S2 -","2","1","","Prohens, Rafel; Barbas, Rafael; Barceló-Oliver, Miquel; Frontera, Antonio","New salt-solvates of Mirabegron: a combined experimental and computational study","CrystEngComm","2025","27","17","2720","2728","10.1039/D4CE01228C","","","0.71073","MoKα","","0.1098","0.0955","","","0.1957","0.2012","","","","","","1.177","","","","has coordinates,has disorder","300692","2025-07-06","14:58:49",""
"7250210","10.6139","0.0006","13.0164","0.0011","13.2023","0.0008","111.948","0.003","95.785","0.002","114.007","0.002","1475","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 N6 O7 S -","- C29 H34 N6 O7 S -","- C58 H68 N12 O14 S2 -","2","1","","Prohens, Rafel; Barbas, Rafael; Barceló-Oliver, Miquel; Frontera, Antonio","New salt-solvates of Mirabegron: a combined experimental and computational study","CrystEngComm","2025","27","17","2720","2728","10.1039/D4CE01228C","","","0.71073","MoKα","","0.0925","0.0881","","","0.1976","0.2","","","","","","1.166","","","","has coordinates,has disorder","300692","2025-07-06","14:58:49",""
"7250211","11.81","0.12","4.94","0.08","17.74","0.13","90","","95.86","0.17","90","","1030","2","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","7_Cyano_L_Trp","7_Cyano_L_Trp","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","2","","Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru","Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of the molecular arrangement for functionalized crystals","CrystEngComm","2025","27","19","3095","3101","10.1039/D5CE00099H","","electron","0.0251","transmissionelectronmicroscope","","0.2544","0.1854","","","0.4603","0.5176","","","","","","1.185","","","","has coordinates","300697","2025-07-06","15:03:18",""
"7250212","18.6956","0.00008","18.6956","0.00008","5.95062","0.00004","90","","90","","90","","2079.89","0.019","223","","223","","","","","","","","","4","I 4","I 4","79","","","","- C10 H11 N3 O2 -","- C10 H11 N3 O2 -","- C80 H88 N24 O16 -","8","1","","Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru","Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of the molecular arrangement for functionalized crystals","CrystEngComm","2025","27","19","3095","3101","10.1039/D5CE00099H","","","1.54184","CuKα","","0.024","0.0238","","","0.0618","0.0619","","","","","","1.089","","","","has coordinates","300697","2025-07-06","15:03:20",""
"7250213","9.02963","0.00016","5.82382","0.0001","9.7226","0.00017","90","","112.326","0.002","90","","472.955","0.016","223","","223","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 N3 O2 -","- C10 H11 N3 O2 -","- C20 H22 N6 O4 -","2","1","","Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru","Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of the molecular arrangement for functionalized crystals","CrystEngComm","2025","27","19","3095","3101","10.1039/D5CE00099H","","","1.54184","CuKα","","0.0726","0.0717","","","0.1823","0.1837","","","","","","1.031","","","","has coordinates","300697","2025-07-06","15:03:29",""
"7250214","9.4366","0.0001","5.7664","0.0001","19.631","0.0003","90","","101.21","0.001","90","","1047.84","0.03","223","2","223.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N5 O4 -","- C23 H23 N5 O4 -","- C46 H46 N10 O8 -","2","1","","Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru","Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of the molecular arrangement for functionalized crystals","CrystEngComm","2025","27","19","3095","3101","10.1039/D5CE00099H","","","1.54184","CuKα","","0.0404","0.0349","","","0.0887","0.0922","","","","","","1.06","","","","has coordinates","300697","2025-07-06","15:03:29",""
"7250215","13.0739","0.0014","33.003","0.003","11.6472","0.0012","90","","98.352","0.004","90","","4972.2","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H45 Cl3 N6 O4 Zn -","- C59 H45 Cl3 N6 O4 Zn -","- C236 H180 Cl12 N24 O16 Zn4 -","4","1","","Bouicha, Mohamed Achraf; Mabrouk, Chama; Gassoumi, Bouzid; Barhoumi, Houcine; Molton, Florian; Loiseau, Frédérique; Roisnel, Thierry; Medina, Aracely Serrano; Cornejo Bravo, Jose Manuel; Lopez-Maldonado, Eduardo Alberto; Nasri, Habib","New zinc(ii) metalloporphyrin: molecular structure, spectroscopic characterization, electrochemical sensing of dopamine, and catalytic dye degradation.","RSC advances","2025","15","13","9810","9827","10.1039/d5ra00762c","","","0.71073","MoKα","","0.0471","0.0415","","","0.1066","0.1103","","","","","","1.021","","","","has coordinates","298702","2025-04-03","01:20:50",""
"7250216","32.084","0.0011","6.2079","0.0002","21.7596","0.0007","90","","106.709","0.001","90","","4151","0.2","102","2","102","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 F3 I O5 S -","- C20 H12 F3 I O4 S -","- C160 H96 F24 I8 O32 S8 -","8","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","single crystal","1.54178","CuKα","","0.031","0.0284","","","0.074","0.0759","","","","","","1.063","","","","has coordinates","300732","2025-07-06","15:12:53",""
"7250217","4.812","0.0001","19.7752","0.0005","14.9145","0.0004","90","","98.519","0.001","90","","1403.58","0.06","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O Se -","- C19 H12 O Se -","- C76 H48 O4 Se4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","x-ray","1.54178","CuKα","","0.0249","0.0224","","","0.0559","0.0575","","","","","","1.051","","","","has coordinates","300732","2025-07-06","15:12:53",""
"7250218","10.16","0.005","15.349","0.007","13.056","0.006","90","","109.4","0.02","90","","1920.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F3 I O4 S -","- C20 H12 F3 I O4 S -","- C80 H48 F12 I4 O16 S4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","0.71073","MoKα","","0.0393","0.0335","","","0.0927","0.0955","","","","","","1.15","","","","has coordinates","300732","2025-07-06","15:12:53",""
"7250219","17.2909","0.0014","4.0044","0.0003","14.8721","0.0012","90","","105.375","0.0019","90","","992.89","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 Br Se -","- C12 H7 Br Se -","- C48 H28 Br4 Se4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0286","0.0276","","","0.0904","0.0913","","","","","","1.086","","","","has coordinates","300732","2025-07-06","15:12:53",""
"7250220","4.7662","0.0003","19.7037","0.0011","14.7618","0.0008","90","","96.564","0.003","90","","1377.22","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O S -","- C19 H12 O S -","- C76 H48 O4 S4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0745","0.0511","","","0.1168","0.14","","","","","","1.058","","","","has coordinates","300732","2025-07-06","15:12:53",""
"7250221","3.9473","0.0002","29.7393","0.0016","11.4521","0.0006","90","","91.572","0.003","90","","1343.86","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O S -","- C19 H12 O S -","- C76 H48 O4 S4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0508","0.0377","","","0.0871","0.0986","","","","","","1.055","","","","has coordinates","300732","2025-07-06","15:12:54",""
"7250222","3.9799","0.0004","29.881","0.003","11.4398","0.0011","90","","92.136","0.002","90","","1359.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O Se -","- C19 H12 O Se -","- C76 H48 O4 Se4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0277","0.0268","","","0.0737","0.0745","","","","","","1.061","","","","has coordinates","300732","2025-07-06","15:12:54",""
"7250223","19.67","0.002","8.7121","0.0009","16.4513","0.0017","90","","91.509","0.002","90","","2818.2","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 O Te -","- C19 H12 O Te -","- C152 H96 O8 Te8 -","8","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0274","0.0271","","","0.0776","0.0778","","","","","","1.092","","","","has coordinates","300732","2025-07-06","15:12:54",""
"7250224","10.6483","0.0011","20.468","0.002","13.8551","0.0013","90","","110.162","0.003","90","","2834.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 O Te -","- C19 H12 O Te -","- C152 H96 O8 Te8 -","8","2","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","0.71073","MoKα","","0.0273","0.0245","","","0.0589","0.06","","","","","","1.156","","","","has coordinates","300732","2025-07-06","15:12:54",""
"7250225","15.4894","0.0015","15.4894","0.0015","15.4894","0.0015","90","","90","","90","","3716.2","0.6","296","2","296","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","","","- Ca2 Ga1.87 Mn0.13 O6 Sr -","- Ca2 Ga1.86667 Mn0.133333 O6 Sr -","- Ca48 Ga44.8 Mn3.2 O144 Sr24 -","24","0.25","","Hikita, Wataru; Iwaki, Masato; Watanabe, Mizuki; Uematsu, Kazuyoshi; Sato, Mineo; Toda, Kenji","Novel efficient deep-red emitting phosphor SrCa<sub>2</sub>Ga<sub>2</sub>O<sub>6</sub>:Mn<sup>4+</sup> with tululite-related structure.","RSC advances","2025","15","9","7039","7049","10.1039/d5ra00377f","","x-ray","0.71073","MoKα","","0.0317","0.0317","","","0.0795","0.0795","","","","","","1.272","","","","has coordinates","298726","2025-04-05","00:02:39",""
"7250226","10.0684","0.0004","8.1314","0.0003","16.131","0.0006","90","","106.247","0.004","90","","1267.91","0.09","100.01","0.1","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","auranofin","","- C20 H34 Au O9 P S -","- C20 H34 Au O9 P S -","- C40 H68 Au2 O18 P2 S2 -","2","1","","Ziemniak, Marcin; Trzybiński, Damian; Pawlędzio, Sylwia; Filipowicz, Gabriela; Pająk-Tarnacka, Beata; Priebe, Waldemar; Woźniak, Krzysztof","Crystal structure and polymorphic forms of auranofin revisited.","RSC advances","2025","15","13","10378","10389","10.1039/d5ra00196j","","","1.54184","CuKα","","0.0283","0.0273","","","0.0694","0.0704","","","","","","1.0317","","","","has coordinates","298735","2025-04-05","01:25:04",""
"7250227","12.7279","0.0005","11.0272","0.0005","7.6786","0.0004","90","","95.347","0.004","90","","1073.03","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Br N4 O -","- C10 H7 Br N4 O -","- C40 H28 Br4 N16 O4 -","4","1","","Perumal, Karuppaiah; Shanthi, Markabandhu; Hemamalini, Vijayakumar; Shankar, Bhaskaran; Ramesh, Subburethinam","Catalyst-free synthesis of 1,2,3-triazole-N-oxide derivatives using tert-butyl nitrite: a novel strategy and synthetic applications","RSC Advances","2025","15","14","10574","10581","10.1039/D5RA01327E","","","0.71073","MoKα","","0.0539","0.0359","","","0.0792","0.0847","","","","","","1.057","","","","has coordinates","298736","2025-04-05","01:25:17",""
"7250228","9.4105","0.0001","11.8727","0.0001","14.0699","0.0002","90","","95.565","0.001","90","","1564.59","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H39 N3 Ni O6 -","- C34 H39 N3 Ni O6 -","- C68 H78 N6 Ni2 O12 -","2","1","","Khachatryan, Emma A.; Sahakyan, Lusine Yu.; Tovmasyan, Anna S.; Melikyan, Gagik S.; Panosyan, Henrik A.; Mkrtchyan, Anna F.; Shibata, Norio; Malkov, Andrei V.; Saghyan, Ashot S.","Sequential Michael addition, cross-coupling and [3 + 2] cycloaddition reactions within the coordination sphere of chiral Ni(ii) Schiff base complexes derived from dehydroamino acids: pathways to the asymmetric synthesis of structurally diverse O-substituted serine and threonine analogs","RSC Advances","2025","15","14","10558","10564","10.1039/D5RA00910C","","x-ray","0.71073","MoKα","","0.0229","0.0226","","","0.0581","0.0583","","","","","","1.038","","","","has coordinates","298737","2025-04-05","01:25:30",""
"7250229","22.6222","0.0016","5.514","0.0004","23.3117","0.0017","90","","90","","90","","2907.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H18 I4 N4 -","- C28 H18 I4 N4 -","- C112 H72 I16 N16 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0411","0.029","","","0.0495","0.0559","","","","","","1.091","","","","has coordinates","300720","2025-07-06","15:09:56",""
"7250230","7.9279","0.0007","9.8606","0.0009","10.2238","0.0008","103.116","0.002","111.147","0.002","98.956","0.003","700.7","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 I4 N4 -","- C28 H18 I4 N4 -","- C28 H18 I4 N4 -","1","0.5","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.026","0.0205","","","0.0431","0.0464","","","","","","1.059","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250231","11.111","0.003","11.12","0.004","13.583","0.004","75.672","0.009","74.72","0.008","83.333","0.011","1566.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C80 H68 N8 O4 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0685","0.0587","","","0.1306","0.1356","","","","","","1.124","","","","has coordinates,has disorder","300720","2025-07-06","15:09:57",""
"7250232","11.442","0.0009","11.5769","0.0009","14.7255","0.0012","105.644","0.003","95.194","0.003","90.202","0.003","1869.8","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 I2 N6 -","- C38 H42 I2 N6 -","- C76 H84 I4 N12 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0886","0.0626","","","0.1676","0.1932","","","","","","1.035","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250233","10.325","0.004","11.902","0.005","16.282","0.006","83.689","0.012","72.592","0.013","77.625","0.012","1862.6","1.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 I2 N6 -","- C38 H42 I2 N6 -","- C76 H84 I4 N12 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0726","0.0478","","","0.1166","0.1345","","","","","","1.055","","","","has coordinates,has disorder","300720","2025-07-06","15:09:57",""
"7250234","11.8378","0.0018","7.6253","0.0013","14.277","0.003","90","","96.549","0.006","90","","1280.3","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H26 N4 -","- C32 H26 N4 -","- C64 H52 N8 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0557","0.0413","","","0.0958","0.1028","","","","","","1.059","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250235","7.7573","0.0005","17.2615","0.0009","19.0749","0.001","90","","90","","90","","2554.2","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 N4 -","- C32 H26 N4 -","- C128 H104 N16 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0639","0.0431","","","0.0891","0.099","","","","","","1.04","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250236","9.3691","0.0013","10.7182","0.0015","29.938","0.004","90","","94.932","0.004","90","","2995.2","0.7","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 N4 -","- C40 H26 N4 -","- C160 H104 N16 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1435","0.0745","","","0.1453","0.1729","","","","","","1.01","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250237","10.3829","0.0007","10.67","0.0007","13.3452","0.0008","100.606","0.002","94.261","0.002","113.76","0.002","1311.79","0.15","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 N4 -","- C32 H26 N4 -","- C64 H52 N8 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0887","0.0636","","","0.1493","0.1629","","","","","","1.018","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250238","26.8941","0.0016","13.4775","0.0008","18.9193","0.0012","90","","121.399","0.002","90","","5853.4","0.6","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 N4 -","- C40 H26 N4 -","- C320 H208 N32 -","8","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0589","0.0448","","","0.1076","0.1158","","","","","","1.038","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250239","9.9995","0.0009","21.219","0.002","15.4151","0.0014","90","","90","","90","","3270.8","0.5","298","2","298","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C160 H136 N16 O8 -","4","0.5","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.066","0.0557","","","0.1464","0.1536","","","","","","1.053","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250240","8.9156","0.0012","9.8977","0.0014","12.03","0.0017","78.532","0.004","88.488","0.004","83.005","0.004","1032.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N5 O2 -","- C24 H19 N5 O2 -","- C48 H38 N10 O4 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1038","0.0473","","","0.1145","0.1361","","","","","","1.027","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250241","7.9713","0.0007","15.8311","0.0014","29.59","0.002","90","","95.268","0.003","90","","3718.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 I2 N6 -","- C38 H42 I2 N6 -","- C152 H168 I8 N24 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1161","0.0651","","","0.1734","0.2245","","","","","","1.032","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250242","10.5848","0.0016","26.074","0.004","11.1341","0.0019","90","","94.403","0.005","90","","3063.8","0.8","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N4 O2 -","- C38 H30 N4 O2 -","- C152 H120 N16 O8 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1027","0.0578","","","0.1225","0.1435","","","","","","1.064","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250243","28.913","0.004","4.8255","0.0005","14.858","0.002","90","","104.627","0.005","90","","2005.8","0.4","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N5 O2 -","- C24 H19 N5 O2 -","- C96 H76 N20 O8 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.084","0.0542","","","0.123","0.1381","","","","","","1.035","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250244","15.271","0.002","9.8156","0.0013","20.758","0.003","90","","98.675","0.006","90","","3075.9","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N4 O2 -","- C38 H30 N4 O2 -","- C152 H120 N16 O8 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1227","0.0529","","","0.1288","0.1407","","","","","","1.069","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250245","18.426","0.007","14.516","0.006","24.976","0.011","90","","90","","90","","6680","5","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C320 H272 N32 O16 -","8","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0842","0.0551","","","0.1265","0.1417","","","","","","1.05","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250246","14.9159","0.0012","18.4135","0.0009","22.7514","0.0013","90","","90","","90","","6248.8","0.7","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C20 H35 Co N10 O12 S4 -","- C20 H35 Co N10 O12 S4 -","- C160 H280 Co8 N80 O96 S32 -","8","0.25","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.0501","0.0372","","","0.0992","0.1049","","","","","","1","","","","has coordinates,has disorder","300696","2025-07-06","15:03:07",""
"7250247","7.4363","0.0006","8.2733","0.0006","11.5486","0.0014","110.849","0.009","94.899","0.008","90.864","0.006","660.76","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H32 Cl Co N10 O6 S2 -","- C14 H32 Cl Co N10 O6 S2 -","- C14 H32 Cl Co N10 O6 S2 -","1","0.5","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.0453","0.0353","","","0.0899","0.0977","","","","","","1.003","","","","has coordinates","300696","2025-07-06","15:03:09",""
"7250248","14.3265","0.0005","14.3265","0.0005","24.7933","0.0016","90","","90","","90","","5088.8","0.4","293","2","293","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C14 H26 Cl Co K2 N6 O10 S2 -","- C14 H26 Cl Co K2 N6 O10 S2 -","- C112 H208 Cl8 Co8 K16 N48 O80 S16 -","8","0.5","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.0621","0.0435","","","0.1095","0.12","","","","","","1.007","","","","has coordinates","300696","2025-07-06","15:03:09",""
"7250249","7.4383","0.0005","12.0736","0.0009","19.2979","0.0012","100.1","0.006","98.038","0.006","91.656","0.006","1686.9","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C7 H53 Cl2 Co2 N12 O16 S2 -","- C7 H52.932 Cl2 Co2 N12 O16 S2 -","- C14 H105.864 Cl4 Co4 N24 O32 S4 -","2","1","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.1016","0.0579","","","0.1312","0.1598","","","","","","0.851","","","","has coordinates,has disorder","300696","2025-07-06","15:03:09",""
"7250250","25.0699","0.001","7.2512","0.0004","10.8265","0.0006","90","","90","","90","","1968.12","0.17","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C7 H24 Cl Co N6 O9 S -","- C7 H24 Cl Co N6 O8.999 S -","- C28 H96 Cl4 Co4 N24 O35.996 S4 -","4","0.5","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.0584","0.0485","","","0.1471","0.1559","","","","","","1.026","","","","has coordinates,has disorder","300696","2025-07-06","15:03:09",""
"7250251","14.489","0.003","6.871","0.001","17.692","0.003","90","","97.903","0.017","90","","1744.6","0.5","293","2","293","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C7 H22 Cl2 Co N6 Na O5.69 S -","- C7 H22 Cl2 Co N6 Na O5.688 S -","- C28 H88 Cl8 Co4 N24 Na4 O22.752 S4 -","4","1","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.1081","0.0528","","","0.0847","0.0902","","","","","","1.01","","","","has coordinates,has disorder","300696","2025-07-06","15:03:09",""
"7250252","12.9654","0.0005","13.1933","0.0006","16.5514","0.0009","83.432","0.004","72.016","0.004","68.761","0.004","2510","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Co N14 O14 S2 -","- C36 H46 Co N14 O14.001 S2 -","- C72 H92 Co2 N28 O28.002 S4 -","2","1","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.1","0.0648","","","0.1764","0.2021","","","","","","1.001","","","","has coordinates","300696","2025-07-06","15:03:09",""
"7250253","8.6758","0.0004","15.7644","0.0006","10.951","0.0005","90","","96.07","0.002","90","","1489.36","0.11","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O9 -","- C12 H15 N3 O9 -","- C48 H60 N12 O36 -","4","1","","Shukla, Vibhav; Kumar, Astakala Anil; Haq, Nazrul; Tothadi, Sinu; Siddiqui, Kafeel Ahmad","A dual-function crystalline sensor: tris(2-carboxyethyl) isocyanurate for ultra-sensitive detection and sustainable degradation of tetracycline antibiotics","CrystEngComm","2025","27","20","3326","3344","10.1039/D5CE00235D","","","0.71073","MoKα","","0.0633","0.0457","","","0.1197","0.137","","","","","","1.061","","","","has coordinates,has disorder","300719","2025-07-06","15:09:31",""
"7250254","14.1583","0.0004","14.4657","0.0004","14.2413","0.0003","90","","90","","90","","2916.76","0.13","298","","298","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H18 I3 N4 P -","- C6 H18 I3 N4 P -","- C48 H144 I24 N32 P8 -","8","0.5","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0177","0.017","","","0.0436","0.0439","","","","","","1.136","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250255","14.2452","0.0005","14.5204","0.0006","14.3176","0.0005","90","","90","","90","","2961.54","0.19","410","","410","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C5.71 H16.54 I3 N4 P -","- C5.7 H16.54 I3 N4 P -","- C45.6 H132.32 I24 N32 P8 -","8","0.5","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0356","0.0339","","","0.0937","0.0953","","","","","","1.089","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250256","14.1395","0.0005","14.4681","0.0005","14.2255","0.0004","90","","90","","90","","2910.13","0.17","253","","253","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H18 I3 N4 P -","- C6 H18 I3 N4 P -","- C48 H144 I24 N32 P8 -","8","0.5","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0224","0.0211","","","0.0522","0.0527","","","","","","1.092","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250257","7.0146","0.0004","7.0146","0.0004","7.0146","0.0004","90","","90","","90","","345.15","0.03","415","","415","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C14 Br3 N -","- C14 Br3 N -","- C14 Br3 N -","1","0.0208333","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.1203","0.0729","","","0.2556","0.2999","","","","","","1.101","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250258","6.9497","0.0009","6.9497","0.0009","6.9497","0.0009","90","","90","","90","","335.66","0.08","391","","391","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C12.6 Br3 N -","- C12.6 Br3 N -","- C12.6 Br3 N -","1","0.0208333","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0766","0.0492","","","0.12","0.1308","","","","","","1.088","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250259","7.0028","0.0004","7.0028","0.0004","7.0028","0.0004","90","","90","","90","","343.41","0.03","410","","410","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C12.3 Br3 N -","- C12.28 Br3 N -","- C12.28 Br3 N -","1","0.0208333","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0717","0.062","","","0.1267","0.1313","","","","","","1.437","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250260","10.4847","0.0003","10.4847","0.0003","14.8469","0.0007","90","","90","","90","","1632.1","0.1","391","","391","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C6 H16 B3 F12 N3.9 P1.1 -","- C6 H16 B3 F12 N3.902 P1.098 -","- C24 H64 B12 F48 N15.608 P4.392 -","4","0.5","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0796","0.0638","","","0.199","0.222","","","","","","1.093","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250261","13.7974","0.0004","9.9483","0.0003","9.661","0.0003","90","","90","","90","","1326.08","0.07","322","","322","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0505","0.0491","","","0.1299","0.131","","","","","","1.051","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250262","13.7604","0.0003","9.9259","0.0003","9.6119","0.0003","90","","90","","90","","1312.84","0.06","253","","253","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0237","0.0224","","","0.0509","0.0512","","","","","","1.117","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250263","13.7833","0.0004","9.9419","0.0003","9.6453","0.0003","90","","90","","90","","1321.72","0.07","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0492","0.0481","","","0.1258","0.1268","","","","","","1.069","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250264","6.9822","0.0004","6.9822","0.0004","6.9822","0.0004","90","","90","","90","","340.39","0.03","401","","401","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C12.46 Br3 N -","- C12.48 Br3 N -","- C12.48 Br3 N -","1","0.0208333","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0657","0.0404","","","0.1199","0.1422","","","","","","1.07","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250265","13.8322","0.0008","9.9354","0.0007","9.7055","0.0008","90","","90","","90","","1333.81","0.16","382","","382","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.1106","0.087","","","0.1889","0.2076","","","","","","1.023","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250266","13.818","0.0005","9.9528","0.0004","9.6881","0.0004","90","","90","","90","","1332.38","0.09","354","","354","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0525","0.0499","","","0.1349","0.1367","","","","","","1.047","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250267","13.8355","0.0005","9.9594","0.0004","9.7006","0.0004","90","","90","","90","","1336.68","0.09","364","","364","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0513","0.0451","","","0.1106","0.1137","","","","","","1.069","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250268","13.8098","0.0004","9.9529","0.0003","9.6797","0.0004","90","","90","","90","","1330.45","0.08","345","","345","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0522","0.0503","","","0.1344","0.1363","","","","","","1.053","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250269","13.8318","0.0006","9.9497","0.0004","9.7003","0.0006","90","","90","","90","","1334.98","0.11","373","","373","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0681","0.0582","","","0.1283","0.1331","","","","","","1.153","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250270","10.3573","0.0001","10.3573","0.0001","14.6992","0.0003","90","","90","","90","","1576.84","0.04","233","","233","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C8 H24.02 B4 F16 N5.34 P1.32 -","- C8 H24.0213 B4 F16 N5.344 P1.32267 -","- C24 H72.064 B12 F48 N16.032 P3.968 -","3","0.375","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0622","0.0588","","","0.1593","0.1635","","","","","","1.07","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250271","6.0306","0.0003","10.3023","0.0006","16.1959","0.001","90","","90","","90","","1006.24","0.1","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","","Takaishi, Kazuto; Morishita, Hajime; Iwaki, Kosuke; Ema, Tadashi","Deoxygenative dual CO2 conversions: methylenation and switchable N-formylation/N-methylation of tryptamines","Green Chemistry","2025","27","18","5359","5365","10.1039/D5GC00942A","","x-ray","0.71073","MoKα","","0.1013","0.06","","","0.1076","0.1205","","","","","","1.023","","","","has coordinates","301013","2025-07-06","17:22:05",""
"7250272","12.4491","0.0007","6.2533","0.0002","13.2178","0.0007","90","","108.117","0.006","90","","977.97","0.09","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 -","- C12 H14 N2 -","- C48 H56 N8 -","4","1","","Takaishi, Kazuto; Morishita, Hajime; Iwaki, Kosuke; Ema, Tadashi","Deoxygenative dual CO2 conversions: methylenation and switchable N-formylation/N-methylation of tryptamines","Green Chemistry","2025","27","18","5359","5365","10.1039/D5GC00942A","","x-ray","0.71073","MoKα","","0.0822","0.0577","","","0.1374","0.1525","","","","","","1.023","","","","has coordinates","301013","2025-07-06","17:22:05",""
"7250273","6.6617","0.0001","7.5013","0.0002","13.278","0.0003","90","","90","","90","","663.52","0.03","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","1","","Li, Xianda; Shao, Zhongping; Shan, Haozhe; Liu, Li","Evolution process of humins derived from cellulose by a humin extraction approach","Green Chemistry","2025","27","18","5322","5331","10.1039/D5GC00654F","","","1.54178","CuKα","","0.0234","0.023","","","0.0579","0.0583","","","","","","1.087","","","","has coordinates","301014","2025-07-06","17:22:11",""
"7250274","16.533","0.003","5.8462","0.0009","14.439","0.003","90","","102.45","0.006","90","","1362.8","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Panova, Elizaveta V.; Voronina, Julia K.; Azizova, Asmet N.; Tutar, Ömer Faruk; Mahmoudi, Ghodrat; Safin, Damir A.","Polymorphism phenomenon of the naphthyl-containing N-salicylidenaniline derivative: syntheses, crystal structures, optical properties, and theoretical calculations","CrystEngComm","2025","27","21","3502","3516","10.1039/D5CE00191A","","","0.71073","MoKα","","0.1034","0.061","","","0.127","0.1505","","","","","","1.024","","","","has coordinates","300743","2025-07-06","15:16:12",""
"7250275","6.1678","0.0004","14.2905","0.001","31.0405","0.0019","90","","90","","90","","2735.9","0.3","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","1","","Panova, Elizaveta V.; Voronina, Julia K.; Azizova, Asmet N.; Tutar, Ömer Faruk; Mahmoudi, Ghodrat; Safin, Damir A.","Polymorphism phenomenon of the naphthyl-containing N-salicylidenaniline derivative: syntheses, crystal structures, optical properties, and theoretical calculations","CrystEngComm","2025","27","21","3502","3516","10.1039/D5CE00191A","","","0.71073","MoKα","","0.0741","0.0495","","","0.1099","0.1302","","","","","","1.047","","","","has coordinates","300743","2025-07-06","15:16:12",""
"7250276","34.6511","0.0007","20.6506","0.0005","24.2274","0.0006","90","","100.104","0.002","90","","17067.4","0.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C318 H432 Cl2 Mn6 N12 Na12 O44 S14 -","- C314 H426 Cl2 Mn6 N10 Na12 O44 S14 -","- C628 H852 Cl4 Mn12 N20 Na24 O88 S28 -","2","0.25","","Wilson, Lucinda R. B.; Dalgarno, Scott J.; Brechin, Euan K.","Calix[4]arene-supported trigonal and square prisms of Mn and Na","CrystEngComm","2025","27","19","3041","3047","10.1039/D5CE00285K","","","1.54178","CuKα","","0.1326","0.1094","","","0.2704","0.2844","","","","","","1.023","","","","has coordinates,has disorder","300700","2025-07-06","15:04:06",""
"7250277","17.5535","0.0004","18.1099","0.0004","20.511","0.0005","91.09","0.002","110.519","0.001","109.895","0.001","5670.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C212.2 H274.6 Cl2 Mn6 N14 Na6 O32 -","- C212.2 H274.6 Cl2 Mn6 N14 Na6 O32 -","- C212.2 H274.6 Cl2 Mn6 N14 Na6 O32 -","1","0.5","","Wilson, Lucinda R. B.; Dalgarno, Scott J.; Brechin, Euan K.","Calix[4]arene-supported trigonal and square prisms of Mn and Na","CrystEngComm","2025","27","19","3041","3047","10.1039/D5CE00285K","","","1.54178","CuKα","","0.1387","0.1178","","","0.3792","0.4061","","","","","","1.661","","","","has coordinates,has disorder","300700","2025-07-06","15:04:06",""
"7250278","7.9319","0.0004","12.9305","0.0007","13.0436","0.0007","100.991","0.001","98.039","0.001","103.863","0.001","1250.61","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N9 Nd S3 -","- C21 H18 N9 Nd S3 -","- C42 H36 N18 Nd2 S6 -","2","1","","Gil, Yolimar; Maldonado, María José; Costa de Santana, Ricardo; Vega, Andres; Fuentealba, Pablo; Aravena, Daniel","Improvement of electronic structure calculations for the interpretation of emission spectrum of NdIII complexes","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP00508F","","","0.71073","MoKα","","0.0199","0.018","","","0.0425","0.0434","","","","","","1.03","","","","has coordinates","299262","2025-04-11","00:55:42",""
"7250279","6.3479","0.0004","16.2352","0.0008","6.8246","0.0003","90","","95.902","0.005","90","","699.61","0.06","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs Ga Ge3 S8 -","- Cs Ga Ge3 S8 -","- Cs2 Ga2 Ge6 S16 -","2","0.5","","Wang, Yue; Li, Xuezhong; Lou, Zihao; Shi, Yongfang","Cationic substitution engineering induces a new quaternary chalcogenide in the A–MIIIA–MIVA–Q system for optical crystal applications","CrystEngComm","2025","27","20","3378","3385","10.1039/D5CE00016E","","x-ray","0.71073","MoKα","","0.0643","0.0484","","","0.1346","0.1489","","","","","","1.049","","","","has coordinates,has disorder","300714","2025-07-06","15:08:12",""
"7250280","8.8126","0.0004","16.8927","0.0007","19.2951","0.0008","65.104","0.004","82.811","0.004","84.903","0.004","2582.9","0.2","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N2 O3 S -","- C26 H22 N2 O3 S -","- C104 H88 N8 O12 S4 -","4","2","","Wang, Min; Jian, Yu-Rui; Fu, Xin-Yu; Xiang, Wei; Zha, Xiao; Zheng, Hong-Yu; Cui, Bao-Dong; Zhang, Yun; Mou, Xue-Qing; Chen, Yong-Zheng","Photoinduced tunable fluoroalkylation or sulfonylation/cyclization of methindolylstyrenes via electron donor–acceptor complexes","Green Chemistry","2025","27","19","5433","5441","10.1039/D5GC01102G","","x-ray","1.54184","CuKα","","0.1368","0.11","","","0.3322","0.3525","","","","","","1.039","","","","has coordinates","301003","2025-07-06","17:20:15",""
"7250281","11.0229","0.0002","16.8862","0.0003","21.3037","0.0003","90","","90","","90","","3965.36","0.12","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N O3 S2 -","- C22.634 H19.634 N O3 S1.878 -","- C181.072 H157.072 N8 O24 S15.024 -","8","1","","Wang, Min; Jian, Yu-Rui; Fu, Xin-Yu; Xiang, Wei; Zha, Xiao; Zheng, Hong-Yu; Cui, Bao-Dong; Zhang, Yun; Mou, Xue-Qing; Chen, Yong-Zheng","Photoinduced tunable fluoroalkylation or sulfonylation/cyclization of methindolylstyrenes via electron donor–acceptor complexes","Green Chemistry","2025","27","19","5433","5441","10.1039/D5GC01102G","","x-ray","1.54184","CuKα","","0.1211","0.1082","","","0.302","0.3144","","","","","","2.008","","","","has coordinates,has disorder","301003","2025-07-06","17:20:15",""
"7250282","13.2953","0.001","5.5726","0.0003","16.8008","0.0009","90","","111.958","0.008","90","","1154.46","0.14","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N4 -","- C15 H10 N4 -","- C60 H40 N16 -","4","1","","Elzein, Ahmed; Al Jomeh, Ghadah Abdullah S.; Tizzard, Graham J.; Coles, Simon J.; Banti, Christina N.; Hadjikakou, Sotiris K.; Kostakis, George E.","Investigating the antimicrobial activity of 1-heteroaryl benzotriazole silver compounds","RSC Advances","2025","15","15","11431","11440","10.1039/D5RA01072A","","x-ray","1.54184","CuKα","","0.0589","0.0517","","","0.1377","0.1458","","","","","","1.033","","","","has coordinates","299288","2025-04-12","01:23:01",""
"7250283","8.732","0.0001","8.5637","0.0002","18.9845","0.0003","90","","100.714","0.001","90","","1394.88","0.04","124","5","124","5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Ag F3 N5 O3 S -","- C11 H7 Ag F3 N5 O3 S -","- C44 H28 Ag4 F12 N20 O12 S4 -","4","1","","Elzein, Ahmed; Al Jomeh, Ghadah Abdullah S.; Tizzard, Graham J.; Coles, Simon J.; Banti, Christina N.; Hadjikakou, Sotiris K.; Kostakis, George E.","Investigating the antimicrobial activity of 1-heteroaryl benzotriazole silver compounds","RSC Advances","2025","15","15","11431","11440","10.1039/D5RA01072A","","x-ray","1.54184","CuKα","","0.039","0.0368","","","0.0978","0.1003","","","","","","1.028","","","","has coordinates","299288","2025-04-12","01:23:02",""
"7250284","7.9014","0.0005","9.4771","0.0005","12.3812","0.0012","107.539","0.006","101.878","0.006","101.752","0.005","829.29","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H20 Ag2 F6 N8 O6 S2 -","- C32 H20 Ag2 F6 N8 O6 S2 -","- C32 H20 Ag2 F6 N8 O6 S2 -","1","0.5","","Elzein, Ahmed; Al Jomeh, Ghadah Abdullah S.; Tizzard, Graham J.; Coles, Simon J.; Banti, Christina N.; Hadjikakou, Sotiris K.; Kostakis, George E.","Investigating the antimicrobial activity of 1-heteroaryl benzotriazole silver compounds","RSC Advances","2025","15","15","11431","11440","10.1039/D5RA01072A","","x-ray","0.71073","MoKα","K-L~3~","0.1116","0.0961","","","0.2264","0.2362","","","","","","1.132","","","","has coordinates","299288","2025-04-12","01:23:02",""
"7250285","7.9475","0.0001","9.9919","0.0001","10.3949","0.0002","73.309","0.001","70.444","0.001","69.597","0.001","715.332","0.019","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Ag2 F6 N8 O6 S2 -","- C24 H16 Ag2 F6 N8 O6 S2 -","- C24 H16 Ag2 F6 N8 O6 S2 -","1","0.5","","Elzein, Ahmed; Al Jomeh, Ghadah Abdullah S.; Tizzard, Graham J.; Coles, Simon J.; Banti, Christina N.; Hadjikakou, Sotiris K.; Kostakis, George E.","Investigating the antimicrobial activity of 1-heteroaryl benzotriazole silver compounds","RSC Advances","2025","15","15","11431","11440","10.1039/D5RA01072A","","x-ray","0.71073","MoKα","K-L~3~","0.024","0.022","","","0.056","0.0572","","","","","","1.0357","","","","has coordinates","299288","2025-04-12","01:23:02",""
"7250286","26.5565","0.0008","3.81","0.0001","25.8471","0.0009","90","","105.206","0.003","90","","2523.66","0.14","100","2","100","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C30 H20 Ag N9 O3 -","- C30 H20 Ag N9 O3 -","- C120 H80 Ag4 N36 O12 -","4","1","","Elzein, Ahmed; Al Jomeh, Ghadah Abdullah S.; Tizzard, Graham J.; Coles, Simon J.; Banti, Christina N.; Hadjikakou, Sotiris K.; Kostakis, George E.","Investigating the antimicrobial activity of 1-heteroaryl benzotriazole silver compounds","RSC Advances","2025","15","15","11431","11440","10.1039/D5RA01072A","","x-ray","1.0402","Synchrotron","","0.0837","0.0623","","","0.154","0.1733","","","","","","1.015","","","","has coordinates","299288","2025-04-12","01:23:03",""
"7250287","10.7","0.002","20.3","0.004","21.11","0.004","90","","95.6","0.03","90","","4563.4","1.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cl F12 N6 O8 Sm -","- C36 H28 Cl F12 N6 O8 Sm -","- C144 H112 Cl4 F48 N24 O32 Sm4 -","4","1","","Al Riyami, Najat A.; Husband, John S.; Al Shihhi, Amira; Sivakumar, Nallusamy; Al-Rasbi, Nawal K.","Self-assembly of Sm(iii) Schiff base complexes: crystal structure, luminescence and antibacterial inhibition activity","CrystEngComm","2025","27","19","3061","3074","10.1039/D4CE00843J","","","0.71073","MoKα","","0.172","0.0737","","","0.1749","0.2192","","","","","","0.951","","","","has coordinates","300698","2025-07-06","15:03:39",""
"7250288","11.659","0.013","14.662","0.014","17.291","0.015","66.38","0.07","81.58","0.08","78.42","0.08","2646","5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 F6 N3 O11 Sm -","- C52 H46 F6 N3 O11 Sm -","- C104 H92 F12 N6 O22 Sm2 -","2","1","","Al Riyami, Najat A.; Husband, John S.; Al Shihhi, Amira; Sivakumar, Nallusamy; Al-Rasbi, Nawal K.","Self-assembly of Sm(iii) Schiff base complexes: crystal structure, luminescence and antibacterial inhibition activity","CrystEngComm","2025","27","19","3061","3074","10.1039/D4CE00843J","","","0.71073","MoKα","","0.0948","0.0855","","","0.225","0.2375","","","","","","1.04","","","","has coordinates","300698","2025-07-06","15:03:39",""
"7250289","11.7569","0.001","9.4089","0.0009","26.936","0.003","90","","90","","90","","2979.6","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H15 N3 S -","- C16 H15 N3 S -","- C128 H120 N24 S8 -","8","2","","Rani, Payal; Chahal, Sandhya; Ranolia, Anju; Kiran,; Kumar, Devendra; Kataria, Ramesh; Kumar, Parvin; Singh, Devender; Duhan, Anil; Jha, Vibhu; Wahajuddin, Muhammad; Joshi, Gaurav; Sindhu, Jayant","Design and development of sulfenylated 5-aminopyrazoles as inhibitors of acetylcholinesterase and butyrylcholinesterase: exploring the implication for Aβ1–42 aggregation inhibition in Alzheimer's disease","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00069F","","x-ray","0.71073","MoKα","","0.1829","0.0949","","","0.2448","0.3321","","","","","","0.984","","","","has coordinates","299323","2025-04-17","23:58:06",""
"7250290","7.8063","0.0003","13.4781","0.0005","12.8156","0.0006","90","","92.279","0.004","90","","1347.32","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O4 S -","- C15 H11 N O4 S -","- C60 H44 N4 O16 S4 -","4","1","","Sahu, Satya Narayan; Shaw, Ranjay; Yadav, Saroj; Althagafi, Ismail; Upadhyay, Manmohan Krishna; Pratap, Ramendra","A green approach towards the on-water synthesis of multifunctional 3-amino/hydroxy thieno[3,2-c]pyrans","RSC Advances","2025","15","16","12117","12124","10.1039/D5RA01296A","","","0.71073","MoKα","","0.0455","0.0388","","","0.094","0.0971","","","","","","1.064","","","","has coordinates","299325","2025-04-18","01:13:59",""
"7250291","10.8812","0.0001","12.4352","0.0001","20.2017","0.0002","96.673","0.001","94.802","0.001","90.381","0.001","2705.07","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H34 Br4 Cd2 N6 O11 -","- C48 H34 Br4 Cd2 N6 O12 -","- C96 H68 Br8 Cd4 N12 O24 -","2","1","","Song, Jian-Fei; Chen, Jia-Li; Guo, Gui-Quan; Zhu, Hong-Yan; Zhou, Si-Ying; Zheng, Xin-Rong; Zhang, Xiu-Qing","A Cd-based complex as a multifunctional fluorescent probe for the detection of Fe3+, ceftriaxone sodium (CRO) and l-aspartic acid (l-Asp)","CrystEngComm","2025","27","21","3537","3544","10.1039/D4CE01235F","","x-ray","1.54184","CuKα","","0.0635","0.0592","","","0.1706","0.1758","","","","","","1.072","","","","has coordinates","300738","2025-07-06","15:14:52",""
"7250292","7.3167","0.0006","12.0459","0.001","18.1855","0.0015","90","","90","","90","","1602.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Cl3 O8 -","- C12 H19 Cl3 O8 -","- C48 H76 Cl12 O32 -","4","1","","Zhou, Dongyu; Li, Yongshang; Jie, Huimin; Lei, Jiayan; Chen, Zi'ang; Chen, Xiaoping; Cui, Can; Luo, Huadong; Chen, Jingjing; Li, Haohong; Zheng, Huidong","Intermittent ultrasound-assisted anti-solvent crystallization for sucralose production with ultra-low aspect ratio and larger crystal size","CrystEngComm","2025","27","21","3492","3501","10.1039/D5CE00006H","","x-ray","0.71073","MoKα","","0.0864","0.0671","","","0.1591","0.1833","","","","","","1.12","","","","has coordinates","300737","2025-07-06","15:14:36",""
"7250293","7.2843","0.0006","12.0048","0.0008","18.0766","0.0012","90","","90","","90","","1580.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Cl3 O8 -","- C12 H19 Cl3 O8 -","- C48 H76 Cl12 O32 -","4","1","","Zhou, Dongyu; Li, Yongshang; Jie, Huimin; Lei, Jiayan; Chen, Zi'ang; Chen, Xiaoping; Cui, Can; Luo, Huadong; Chen, Jingjing; Li, Haohong; Zheng, Huidong","Intermittent ultrasound-assisted anti-solvent crystallization for sucralose production with ultra-low aspect ratio and larger crystal size","CrystEngComm","2025","27","21","3492","3501","10.1039/D5CE00006H","","x-ray","0.71073","MoKα","","0.0356","0.0303","","","0.0876","0.1039","","","","","","0.804","","","","has coordinates","300737","2025-07-06","15:14:37",""
"7250294","12.041","0.004","7.3141","0.0012","18.158","0.006","90","","90","","90","","1599.2","0.8","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Cl3 O8 -","- C12 H19 Cl3 O8 -","- C48 H76 Cl12 O32 -","4","1","","Zhou, Dongyu; Li, Yongshang; Jie, Huimin; Lei, Jiayan; Chen, Zi'ang; Chen, Xiaoping; Cui, Can; Luo, Huadong; Chen, Jingjing; Li, Haohong; Zheng, Huidong","Intermittent ultrasound-assisted anti-solvent crystallization for sucralose production with ultra-low aspect ratio and larger crystal size","CrystEngComm","2025","27","21","3492","3501","10.1039/D5CE00006H","","","0.71073","MoKα","","0.1385","0.0572","","","0.1279","0.1737","","","","","","0.857","","","","has coordinates","300737","2025-07-06","15:14:37",""
"7250295","7.2691","0.0014","11.947","0.002","17.987","0.003","90","","90","","90","","1562.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Cl3 O8 -","- C12 H19 Cl3 O8 -","- C48 H76 Cl12 O32 -","4","1","","Zhou, Dongyu; Li, Yongshang; Jie, Huimin; Lei, Jiayan; Chen, Zi'ang; Chen, Xiaoping; Cui, Can; Luo, Huadong; Chen, Jingjing; Li, Haohong; Zheng, Huidong","Intermittent ultrasound-assisted anti-solvent crystallization for sucralose production with ultra-low aspect ratio and larger crystal size","CrystEngComm","2025","27","21","3492","3501","10.1039/D5CE00006H","","x-ray","0.71073","MoKα","","0.0555","0.04","","","0.104","0.1258","","","","","","0.868","","","","has coordinates","300737","2025-07-06","15:14:37",""
"7250296","7.2308","0.0001","10.2533","0.0001","12.8367","0.0002","73.334","0.001","76.375","0.002","73.236","0.001","860.78","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 F3 N2 O4 -","- C20 H17 F3 N2 O4 -","- C40 H34 F6 N4 O8 -","2","1","","Tawell, Hugh W.; Robinson, William; Li, Yuqi; Tizzard, Graham J.; Coles, Simon J.; Bhambra, Avninder S.; Edgar, Mark; Weaver, George W.","Synthesis of fluorinated 3-aminobenzofurans via a tandem SNAr-cyclocondensation strategy","RSC Advances","2025","15","16","12843","12853","10.1039/D5RA02024G","","x-ray","0.71075","MoKα","K-L~3~","0.0375","0.0334","","","0.0943","0.097","","","","","","1.066","","","","has coordinates","299362","2025-04-23","01:15:51",""
"7250297","11.7322","0.0003","11.2485","0.0002","17.8809","0.0004","90","","104.108","0.001","90","","2288.56","0.09","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Br2 N3 O3 Re -","- C21 H18 Br2 N3 O3 Re -","- C84 H72 Br8 N12 O12 Re4 -","4","1","","Chafin, Ryan; Sujan, Majharul Islam; Parkin, Sean; Jurss, Jonah W.; Huckaba, Aron J.","Light-driven CO2 reduction with substituted imidazole-pyridine Re catalysts favoring formic acid production","RSC Advances","2025","15","16","12547","12556","10.1039/D5RA01561H","","","0.71073","MoKα","","0.0179","0.0149","","","0.0292","0.0299","","","","","","1.057","","","","has coordinates","299363","2025-04-23","01:16:35",""
"7250298","14.4135","0.0006","13.9657","0.0005","19.9434","0.0009","90","","90","","90","","4014.5","0.3","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H19 Br N3 O3 Re -","- C21 H19 Br N3 O3 Re -","- C168 H152 Br8 N24 O24 Re8 -","8","1","","Chafin, Ryan; Sujan, Majharul Islam; Parkin, Sean; Jurss, Jonah W.; Huckaba, Aron J.","Light-driven CO2 reduction with substituted imidazole-pyridine Re catalysts favoring formic acid production","RSC Advances","2025","15","16","12547","12556","10.1039/D5RA01561H","","","0.71073","MoKα","","0.0212","0.0195","","","0.0434","0.044","","","","","","1.163","","","","has coordinates,has disorder","299363","2025-04-23","01:16:38",""
"7250299","9.1942","0.0006","11.9957","0.0013","35.471","0.002","90","","90","","90","","3912.1","0.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H39 Bi2 Br12 N3 -","- C15 H39 Bi2 Br12 N3 -","- C60 H156 Bi8 Br48 N12 -","4","1","","Ben Elhaj, Yassine; Hajlaoui, Fadhel; Karoui, Karim; Allain, Magali; Mercier, Nicolas; Kozma, Erika; Botta, Chiara; Zouari, Nabil","Novel lead-free bismuth-based perovskite-like (BrC5H13N)3Bi2Br9: synthesis, structural investigations and optoelectronic properties","RSC Advances","2025","15","16","12834","12842","10.1039/D5RA01714A","","","1.54184","CuKα","","0.0665","0.0599","","","0.1353","0.1447","","","","","","1.037","","","","has coordinates,has disorder","299364","2025-04-23","01:17:04",""
"7250300","26.336","0.0019","9.3587","0.0005","15.4039","0.0008","90","","90","","90","","3796.6","0.4","143.15","","143.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H38 N10 O4 -","- C38 H38 N10 O4 -","- C152 H152 N40 O16 -","4","1","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","x-ray","0.71073","MoKα","","0.0983","0.053","","","0.1135","0.1392","","","","","","1.019","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250301","8.2859","0.0007","8.7094","0.0009","11.086","0.0009","102.35","0.008","100.096","0.007","105.742","0.008","728.67","0.13","293.15","","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N10 -","- C30 H22 N10 -","- C30 H22 N10 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","1.54184","CuKα","","0.0992","0.0619","","","0.1548","0.1805","","","","","","1.05","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250302","11.1575","0.0005","8.9502","0.0004","16.065","0.0008","90","","90.969","0.004","90","","1604.05","0.13","143.15","","143.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N12 -","- C34 H28 N12 -","- C68 H56 N24 -","2","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","x-ray","0.71073","MoKα","","0.0624","0.0441","","","0.1089","0.1184","","","","","","1.074","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250303","11.6712","0.0002","18.7282","0.0003","24.0317","0.0004","90","","103.377","0.002","90","","5110.35","0.15","113.15","","113.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 N10 -","- C37 H30 N10 -","- C222 H180 N60 -","6","1.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","x-ray","0.71073","MoKα","","0.0625","0.0502","","","0.1309","0.1382","","","","","","1.021","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250304","14.1431","0.0005","9.8855","0.0003","22.1824","0.0012","90","","106.036","0.004","90","","2980.7","0.2","123","","123.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 Cl2 N10 -","- C31 H24 Cl2 N10 -","- C124 H96 Cl8 N40 -","4","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.0634","0.0492","","","0.1203","0.1277","","","","","","1.021","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250305","9.6542","0.0006","11.4847","0.001","11.5991","0.0009","112.246","0.008","95.182","0.006","103.22","0.007","1136.24","0.18","143.15","","143.15","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H42 N10 O2 -","- C54 H42 N10 O2 -","- C54 H42 N10 O2 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.2316","0.1422","","","0.2521","0.2901","","","","","","1.194","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250306","12.2866","0.0004","8.6175","0.0003","16.7215","0.0005","90","","90.982","0.003","90","","1770.21","0.1","200.15","","200.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl4 N10 -","- C34 H30 Cl4 N10 -","- C68 H60 Cl8 N20 -","2","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.0479","0.0412","","","0.1034","0.1073","","","","","","1.04","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250307","8.175","0.0004","9.1048","0.0005","11.3499","0.0006","81.725","0.004","77.867","0.004","76.129","0.004","797.93","0.07","143.15","","143.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H27 I N10 -","- C36 H27 I N10 -","- C36 H27 I N10 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.0729","0.0517","","","0.129","0.1415","","","","","","1.019","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250308","11.7987","0.0004","19.0987","0.0004","23.8997","0.0006","90","","103.244","0.003","90","","5242.3","0.3","143.15","","143.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cl2 N10 -","- C36 H26 Cl2 N10 -","- C216 H156 Cl12 N60 -","6","1.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.1134","0.0775","","","0.2194","0.2429","","","","","","1.05","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250309","9.3409","0.0008","12.7905","0.0011","16.1963","0.0014","70.868","0.008","83.072","0.007","82.513","0.007","1806.3","0.3","143.19","0.13","143.15","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H32 N12 -","- C40 H32 N12 -","- C80 H64 N24 -","2","1","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","1.54184","CuKα","","0.1146","0.0787","","","0.2206","0.2491","","","","","","1.072","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250310","9.0161","0.0004","12.198","0.0006","16.1054","0.0007","90","","99.256","0.004","90","","1748.18","0.14","143.15","","143.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 N10 O2 -","- C38 H38 N10 O2 -","- C76 H76 N20 O4 -","2","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","x-ray","0.71073","MoKα","","0.0985","0.0591","","","0.1201","0.1343","","","","","","1.008","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250311","9.0545","0.0002","12.3215","0.0003","16.3699","0.0003","90","","92.908","0.002","90","","1823.96","0.07","200","0.1","200.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N12 O2 -","- C36 H36 N12 O2 -","- C72 H72 N24 O4 -","2","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","1.54184","CuKα","","0.0606","0.0529","","","0.1458","0.1565","","","","","","1.029","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250312","10.4303","0.0007","11.1097","0.001","11.7866","0.001","65.92","0.009","69.939","0.007","85.587","0.007","1168.1","0.2","200","0.1","200.15","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H46 N10 -","- C54 H46 N10 -","- C54 H46 N10 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","1.54184","CuKα","","0.1042","0.0614","","","0.1388","0.1704","","","","","","0.99","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250313","10.4879","0.0005","10.8573","0.0005","11.2117","0.0005","68.012","0.004","68.117","0.004","86.081","0.004","1094.75","0.1","143.15","","143.15","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 N10 S4 -","- C46 H38 N10 S4 -","- C46 H38 N10 S4 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.1227","0.0997","","","0.2861","0.314","","","","","","1.077","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250314","8.7836","0.0004","12.5914","0.0005","15.6251","0.0009","90","","96.763","0.005","90","","1716.08","0.14","143.15","","143.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 N10 O2 -","- C36 H34 N10 O2 -","- C72 H68 N20 O4 -","2","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","x-ray","0.71073","MoKα","","0.0931","0.0623","","","0.1608","0.1837","","","","","","1.041","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250315","8.1115","0.0004","8.9633","0.0006","11.383","0.0007","82.417","0.005","78.205","0.005","77.833","0.005","788.51","0.08","143.15","","143.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H27 Cl N10 -","- C36 H27 Cl N10 -","- C36 H27 Cl N10 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.1132","0.0864","","","0.2622","0.2888","","","","","","1.08","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250316","8.1539","0.0006","8.5097","0.0005","10.9361","0.0011","101.144","0.007","101.548","0.007","102.714","0.006","702.52","0.1","143.15","","143.15","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N10 -","- C30 H22 N10 -","- C30 H22 N10 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.0954","0.0475","","","0.1097","0.1275","","","","","","1.019","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250317","6.3892","0.0004","19.6003","0.0015","10.357","0.0006","90","","90","","90","","1297.01","0.15","293","2","293","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- Al3.43 Na8.72 Ni2.58 O32 P8 -","- Al3.42 Na8.72 Ni2.58 O32 P8 -","- Al6.84 Na17.44 Ni5.16 O64 P16 -","2","0.125","","Yakubovich, Olga; Kiriukhina, Galina; Manokhina, Elizaveta; Volkov, Anatoly; Dimitrova, Olga; Shvanskaya, Larisa; Vasiliev, Alexander","Na4.3Ni1.3Al1.7(PO4)4 structure transformation from stuffed α-CrPO4 type driven by the incorporation of Na: magnetism and ionic migration","CrystEngComm","2025","27","21","3576","3583","10.1039/D5CE00268K","","","0.71073","MoKα","","0.0632","0.0551","","","0.1182","0.121","","","","","","1.23","","","","has coordinates","300742","2025-07-06","15:16:05",""
"7250318","12.1446","0.0005","12.9632","0.0005","13.8516","0.0006","68.204","0.001","82.881","0.001","66.617","0.001","1857.81","0.13","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Ag2 F12 N8 P2 -","- C30 H28 Ag2 F12 N8 P2 -","- C60 H56 Ag4 F24 N16 P4 -","2","1","","Das, Pooja; Halder, Soumi; Ray, Partha Pratim; Jana, Narayan Ch.; Sahu, Priyanka; Isab, Anvarhusein A.; Dandela, Rambabu; Natarajan, Ramalingam; Dinda, Joydev","Single step site-selective reaction to construct a Ag2Au2 ← Ag4 supramolecular assembly from hybrid N-heterocyclic carbene (NHC): synthesis, structures and optoelectronic properties","RSC Advances","2025","15","17","13086","13094","10.1039/D5RA00684H","","","0.71073","MoKα","","0.0702","0.0447","","","0.1012","0.1223","","","","","","1.059","","","","has coordinates,has disorder","299379","2025-04-24","01:14:09",""
"7250319","12.2152","0.0009","12.9415","0.001","13.7513","0.0011","68.601","0.002","82.896","0.002","66.589","0.002","1856.8","0.3","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28 Ag Au F12 N8 P2 -","- C30 H28 Ag Au F12 N8 P2 -","- C60 H56 Ag2 Au2 F24 N16 P4 -","2","1","","Das, Pooja; Halder, Soumi; Ray, Partha Pratim; Jana, Narayan Ch.; Sahu, Priyanka; Isab, Anvarhusein A.; Dandela, Rambabu; Natarajan, Ramalingam; Dinda, Joydev","Single step site-selective reaction to construct a Ag2Au2 ← Ag4 supramolecular assembly from hybrid N-heterocyclic carbene (NHC): synthesis, structures and optoelectronic properties","RSC Advances","2025","15","17","13086","13094","10.1039/D5RA00684H","","","0.71073","MoKα","","0.0523","0.0356","","","0.0743","0.083","","","","","","1.031","","","","has coordinates,has disorder","299379","2025-04-24","01:14:15",""
"7250320","18.6884","0.0005","13.4365","0.0004","14.1149","0.0004","90","","95.665","0.003","90","","3527.04","0.17","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cl5 In N2 O2 -","- C12 H16 Cl5 In N2 O2 -","- C96 H128 Cl40 In8 N16 O16 -","8","1","","Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals","CrystEngComm","2025","27","19","2993","2997","10.1039/D5CE00203F","","","0.71073","MoKα","","0.0183","0.0169","","","0.0412","0.0418","","","","","","1.0446","","","","has coordinates","300695","2025-07-06","15:02:45",""
"7250321","18.4183","0.0011","12.9016","0.0008","13.7365","0.0009","90","","93.937","0.005","90","","3256.4","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Bi2 Cl10 N4 -","- C24 H24 Bi2 Cl10 N4 -","- C96 H96 Bi8 Cl40 N16 -","4","0.5","","Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals","CrystEngComm","2025","27","19","2993","2997","10.1039/D5CE00203F","","","0.71073","MoKα","","0.0234","0.021","","","0.0503","0.0512","","","","","","1.0455","","","","has coordinates","300695","2025-07-06","15:02:45",""
"7250322","13.3333","0.0005","13.3333","0.0005","8.8676","0.0006","90","","90","","90","","1576.45","0.14","120","","120","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C24 H32 Cl7 In N4 O4 -","- C24 H32 Cl7 In N4 O4 -","- C48 H64 Cl14 In2 N8 O8 -","2","0.25","","Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals","CrystEngComm","2025","27","19","2993","2997","10.1039/D5CE00203F","","","0.71073","MoKα","","0.0283","0.0268","","","0.0736","0.0743","","","","","","1.0207","","","","has coordinates","300695","2025-07-06","15:02:45",""
"7250323","7.1093","0.0003","14.9953","0.0005","32.2219","0.0013","90","","91.529","0.003","90","","3433.8","0.2","120","","120","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H12 Cl6 N2 Sn -","- C12 H12 Cl6 N2 Sn -","- C96 H96 Cl48 N16 Sn8 -","8","1","","Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals","CrystEngComm","2025","27","19","2993","2997","10.1039/D5CE00203F","","","0.71073","MoKα","","0.0459","0.0357","","","0.0656","0.0679","","","","","","1.0602","","","","has coordinates","300695","2025-07-06","15:02:45",""
"7250324","11.2944","0.0005","37.3407","0.0014","15.8762","0.0007","90","","90","","90","","6695.6","0.5","120","","120","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C96 H100 Cl40 N16 O Sb8 -","- C96 H100 Cl40 N16 O Sb8 -","- C192 H200 Cl80 N32 O2 Sb16 -","2","0.25","","Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals","CrystEngComm","2025","27","19","2993","2997","10.1039/D5CE00203F","","","0.71073","MoKα","","0.0212","0.0204","","","0.0486","0.049","","","","","","1.0347","","","","has coordinates,has disorder","300695","2025-07-06","15:02:45",""
"7250325","7.517","0.0001","12.2366","0.0002","13.2587","0.0002","115.091","0.002","103.453","0.001","90.178","0.001","1066.99","0.03","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H18 Ag F6 N6 O2 P -","- C16 H18 Ag F6 N6 O2 P -","- C32 H36 Ag2 F12 N12 O4 P2 -","2","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0231","0.0226","","","0.0584","0.0587","","","","","","1.056","","","","has coordinates,has disorder","300715","2025-07-06","15:08:26",""
"7250326","8.8771","0.0002","10.4273","0.0003","13.5713","0.0004","83.66","0.002","72.55","0.002","84.305","0.002","1188.18","0.06","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H21 Ag F6 N7 O2 P -","- C18 H21 Ag F6 N7 O2 P -","- C36 H42 Ag2 F12 N14 O4 P2 -","2","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0358","0.0338","","","0.1028","0.1051","","","","","","1.106","","","","has coordinates,has disorder","300715","2025-07-06","15:08:27",""
"7250327","8.5896","0.0001","23.3498","0.0002","9.9286","0.0001","90","","98.579","0.001","90","","1969.05","0.04","119.95","0.16","119.95","0.16","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Ag F6 N4 O3 P -","- C15 H18 Ag F6 N4 O3 P -","- C60 H72 Ag4 F24 N16 O12 P4 -","4","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0293","0.0277","","","0.073","0.0741","","","","","","1.045","","","","has coordinates","300715","2025-07-06","15:08:27",""
"7250328","10.9019","0.0001","12.7011","0.0002","12.2951","0.0002","90","","90.935","0.001","90","","1702.23","0.04","120.01","0.1","120.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 F6 I N4 O2 P -","- C12 H12 F6 I N4 O2 P -","- C48 H48 F24 I4 N16 O8 P4 -","4","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0311","0.0305","","","0.079","0.0794","","","","","","1.091","","","","has coordinates","300715","2025-07-06","15:08:27",""
"7250329","9.5048","0.0002","10.1625","0.0002","13.6806","0.0002","80.767","0.002","73.135","0.002","85.06","0.002","1247.13","0.04","119.98","0.13","119.98","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C18 H21 F6 I N7 O2 P -","- C18 H21 F6 I N7 O2 P -","- C36 H42 F12 I2 N14 O4 P2 -","2","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0549","0.0512","","","0.1474","0.1525","","","","","","1.094","","","","has coordinates,has disorder","300715","2025-07-06","15:08:27",""
"7250330","7.8185","0.0001","8.9131","0.0001","14.4394","0.0003","91.167","0.001","96.566","0.001","99.162","0.001","986.12","0.03","119.81","0.1","119.81","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 F6 I N12 O6 P -","- C36 H36 F6 I N12 O6 P -","- C36 H36 F6 I N12 O6 P -","1","0.5","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0181","0.0181","","","0.0482","0.0482","","","","","","1.044","","","","has coordinates","300715","2025-07-06","15:08:27",""
"7250331","9.6283","0.0003","10.63453","0.00018","11.1454","0.0002","70.4689","0.0018","67.86","0.002","80.4421","0.0018","995.19","0.04","119.6","0.6","119.6","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C14 H15 F6 I N5 O2 P -","- C14 H15 F6 I N5 O2 P -","- C28 H30 F12 I2 N10 O4 P2 -","2","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0198","0.0191","","","0.0505","0.0508","","","","","","1.071","","","","has coordinates","300715","2025-07-06","15:08:27",""
"7250332","13.7177","0.0002","11.8709","0.0002","10.3823","0.0002","90","","92.41","0.002","90","","1689.17","0.05","120.02","0.1","120.02","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 F6 I N4 O2 P -","- C12 H12 F6 I N4 O2 P -","- C48 H48 F24 I4 N16 O8 P4 -","4","0.5","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0174","0.017","","","0.0425","0.0426","","","","","","1.112","","","","has coordinates","300715","2025-07-06","15:08:27",""
"7250333","9.4467","0.0002","10.3832","0.0002","11.175","0.0002","73.189","0.002","88.64","0.001","88.125","0.002","1048.6","0.04","119.99","0.13","119.99","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C15 H18 F6 I N4 O3 P -","- C15 H18 F6 I N4 O3 P -","- C30 H36 F12 I2 N8 O6 P2 -","2","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.025","0.0234","","","0.062","0.0633","","","","","","1.076","","","","has coordinates","300715","2025-07-06","15:08:27",""
"7250334","7.1197","0.0004","10.6071","0.0005","14.9177","0.0008","101.982","0.004","103.673","0.005","90.888","0.004","1068.33","0.1","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C12.65 H14.6 F6 I N4 O2.65 P -","- C12.65 H14.6 F6 I N4 O2.65 P -","- C25.3 H29.2 F12 I2 N8 O5.3 P2 -","2","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0749","0.0645","","","0.1661","0.1719","","","","","","1.057","","","","has coordinates,has disorder","300715","2025-07-06","15:08:27",""
"7250335","8.8102","0.0007","15.3893","0.0011","15.4064","0.0012","99.086","0.002","102.942","0.002","101.262","0.002","1951.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","none","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)propane-1,3-diamine3-methylcyclohexanone clathrate","","- C52 H50 N2 O -","- C52 H50 N2 O -","- C104 H100 N4 O2 -","2","1","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C.","The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones","CrystEngComm","2025","27","20","3279","3294","10.1039/D5CE00298B","","","0.71073","MoKα","","0.1305","0.0621","","","0.1246","0.1515","","","","","","1.02","","","","has coordinates,has disorder","300717","2025-07-06","15:09:11",""
"7250336","8.8224","0.0006","15.4017","0.0011","15.5782","0.0011","98.682","0.002","104.994","0.002","102.791","0.002","1944.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","none","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)propane-1,3-diamine 4-methylcyclohexanone clathrate","","- C52 H50 N2 O -","- C52 H50 N2 O -","- C104 H100 N4 O2 -","2","1","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C.","The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones","CrystEngComm","2025","27","20","3279","3294","10.1039/D5CE00298B","","","0.71073","MoKα","","0.0679","0.0537","","","0.1114","0.1173","","","","","","1.088","","","","has coordinates","300717","2025-07-06","15:09:12",""
"7250337","8.7792","0.0013","15.35","0.002","15.553","0.002","98.013","0.005","105.903","0.005","101.393","0.005","1933.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","none","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)propane-1,3-diamine 2-methylcyclohexanone clathrate","","- C52 H50 N2 O -","- C52 H50 N2 O -","- C104 H100 N4 O2 -","2","1","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C.","The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones","CrystEngComm","2025","27","20","3279","3294","10.1039/D5CE00298B","","","0.71073","MoKα","","0.1884","0.1641","","","0.2969","0.308","","","","","","1.226","","","","has coordinates,has disorder","300717","2025-07-06","15:09:12",""
"7250338","9.2379","0.0005","9.5888","0.0005","12.5881","0.0007","93.28","0.002","101.236","0.002","115.915","0.0019","970.82","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","N,N'-bis(9-phenyl-9-thioxanthenyl)-butane-1,4-diamine","","- C49 H48 N2 O S2 -","- C49 H48 N2 O S2 -","- C49 H48 N2 O S2 -","1","0.5","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C.","The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones","CrystEngComm","2025","27","20","3279","3294","10.1039/D5CE00298B","","","0.71073","MoKα","","0.082","0.0667","","","0.1439","0.1558","","","","","","1.188","","","","has coordinates,has disorder","300717","2025-07-06","15:09:12",""
"7250339","15.1599","0.001","11.4773","0.0006","21.8168","0.0014","90","","90","","90","","3796","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","none","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)propane-1,3-diamine cyclohexanone clathrate","","- C51 H48 N2 O -","- C51 H48 N2 O -","- C204 H192 N8 O4 -","4","1","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C.","The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones","CrystEngComm","2025","27","20","3279","3294","10.1039/D5CE00298B","","","0.71073","MoKα","","0.0579","0.054","","","0.135","0.1379","","","","","","1.053","","","","has coordinates","300717","2025-07-06","15:09:12",""
"7250340","24.1565","0.0011","24.1565","0.0011","12.1744","0.0008","90","","90","","90","","7104.2","0.7","100","","100","","","","","","","","","6","I 41","I 4bw","80","","","","- C31 H49 Cl1.5 O4 P Yb0.5 -","- C31 H45 Cl1.5 O4 P Yb0.5 -","- C248 H360 Cl12 O32 P8 Yb4 -","8","1","","Allia, Hadjer; Rodríguez Expósito, Ana; Palacios, Maria A.; Jiménez, Juan Ramón; Carneiro Neto, Albano; Moura Jr., Renaldo T.; Piccinelli, Fabio; Navarro, Amparo; Quesada-Moreno, María Mar; Colacio, Enrique","Different mechanisms for lanthanide(III) sensitization and Yb-field-induced single-molecule magnet behaviour in a series of pentagonal bipyramidal and octahedral lanthanide complexes with axial phosphine oxide ligands.","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D4CP04862H","","","0.71073","MoKα","","0.0531","0.0386","","","0.1046","0.1109","","","","","","1.113","","","","has coordinates,has disorder","299421","2025-04-26","00:58:26",""
"7250341","12.219","0.0005","15.2856","0.0005","15.8953","0.0005","99.216","0.001","101.397","0.001","101.472","0.001","2790.01","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C59.4 H72.8 Cl3 Eu O4.35 P2 -","- C59.4 H72.8 Cl3 Eu O4.35 P2 -","- C118.8 H145.6 Cl6 Eu2 O8.7 P4 -","2","1","","Allia, Hadjer; Rodríguez Expósito, Ana; Palacios, Maria A.; Jiménez, Juan Ramón; Carneiro Neto, Albano; Moura Jr., Renaldo T.; Piccinelli, Fabio; Navarro, Amparo; Quesada-Moreno, María Mar; Colacio, Enrique","Different mechanisms for lanthanide(III) sensitization and Yb-field-induced single-molecule magnet behaviour in a series of pentagonal bipyramidal and octahedral lanthanide complexes with axial phosphine oxide ligands.","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D4CP04862H","","","0.71073","MoKα","","0.075","0.0415","","","0.0993","0.109","","","","","","1.054","","","","has coordinates,has disorder","299421","2025-04-26","00:58:27",""
"7250342","17.3","0.0012","11.6907","0.0007","25.6789","0.0018","90","","93.668","0.002","90","","5182.9","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H82 Cl3 Gd O3 P2 -","- C58 H82 Cl3 Gd O3 P2 -","- C232 H328 Cl12 Gd4 O12 P8 -","4","0.5","","Allia, Hadjer; Rodríguez Expósito, Ana; Palacios, Maria A.; Jiménez, Juan Ramón; Carneiro Neto, Albano; Moura Jr., Renaldo T.; Piccinelli, Fabio; Navarro, Amparo; Quesada-Moreno, María Mar; Colacio, Enrique","Different mechanisms for lanthanide(III) sensitization and Yb-field-induced single-molecule magnet behaviour in a series of pentagonal bipyramidal and octahedral lanthanide complexes with axial phosphine oxide ligands.","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D4CP04862H","","","0.71073","MoKα","","0.0234","0.0181","","","0.0431","0.044","","","","","","1.113","","","","has coordinates,has disorder","299421","2025-04-26","00:58:27",""
"7250343","24.2107","0.0008","24.2107","0.0008","12.1822","0.0006","90","","90","","90","","7140.7","0.5","100","","100","","","","","","","","","6","P 43","P 4cw","78","","","","- C61.2 H96.4 Cl3 Gd O7.8 P2 -","- C61.2 H88.4 Cl3 Gd O7.8 P2 -","- C244.8 H353.6 Cl12 Gd4 O31.2 P8 -","4","1","","Allia, Hadjer; Rodríguez Expósito, Ana; Palacios, Maria A.; Jiménez, Juan Ramón; Carneiro Neto, Albano; Moura Jr., Renaldo T.; Piccinelli, Fabio; Navarro, Amparo; Quesada-Moreno, María Mar; Colacio, Enrique","Different mechanisms for lanthanide(III) sensitization and Yb-field-induced single-molecule magnet behaviour in a series of pentagonal bipyramidal and octahedral lanthanide complexes with axial phosphine oxide ligands.","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D4CP04862H","","","0.71073","MoKα","","0.0474","0.0445","","","0.1212","0.1242","","","","","","1.081","","","","has coordinates,has disorder","299421","2025-04-26","00:58:28",""
"7250344","24.1557","0.0006","24.1557","0.0006","12.2","0.0004","90","","90","","90","","7118.7","0.3","100","","100","","","","","","","","","6","P 43","P 4cw","78","","","","- C66 H109 Cl3 O10.5 P2 Tb -","- C66 H106 Cl3 O10.5 P2 Tb -","- C264 H424 Cl12 O42 P8 Tb4 -","4","1","","Allia, Hadjer; Rodríguez Expósito, Ana; Palacios, Maria A.; Jiménez, Juan Ramón; Carneiro Neto, Albano; Moura Jr., Renaldo T.; Piccinelli, Fabio; Navarro, Amparo; Quesada-Moreno, María Mar; Colacio, Enrique","Different mechanisms for lanthanide(III) sensitization and Yb-field-induced single-molecule magnet behaviour in a series of pentagonal bipyramidal and octahedral lanthanide complexes with axial phosphine oxide ligands.","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D4CP04862H","","","0.71073","MoKα","","0.03","0.0297","","","0.0773","0.0775","","","","","","1.185","","","","has coordinates,has disorder","299421","2025-04-26","00:58:28",""
"7250345","8.9399","0.0008","10.9873","0.0009","22.232","0.0017","85.466","0.003","79.88","0.004","72.11","0.004","2045.1","0.3","119.95","","119.95","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H27 Br2 Co F12 N6 P2 -","- C42 H27 Br2 Co F12 N6 P2 -","- C84 H54 Br4 Co2 F24 N12 P4 -","2","1","","Huang, Long; Zhang, Kun-Hua; Sun, Ao-Na; Zhao, Bingshan; Shi, Le; Yang, Jiong; Shao, Dong","A cobalt(ii)-terpyridine complex showing field-induced slow magnetic relaxation behavior via reverse spin-crossover","CrystEngComm","2025","27","21","3545","3551","10.1039/D5CE00223K","","","0.71073","MoKα","","0.1225","0.0551","","","0.1033","0.1317","","","","","","1.018","","","","has coordinates","300739","2025-07-06","15:15:12",""
"7250346","9.1562","0.0017","13.07","0.002","19.832","0.004","97.381","0.007","99.953","0.007","91.15","0.007","2316.1","0.7","290.02","","290.02","","","","","","","","","8","P -1","-P 1","2","","","","- C42 H32 Br2 Co F12 N6 O2 P2 -","- C42 H28 Br2 Co F12 N6 P2 -","- C84 H56 Br4 Co2 F24 N12 P4 -","2","1","","Huang, Long; Zhang, Kun-Hua; Sun, Ao-Na; Zhao, Bingshan; Shi, Le; Yang, Jiong; Shao, Dong","A cobalt(ii)-terpyridine complex showing field-induced slow magnetic relaxation behavior via reverse spin-crossover","CrystEngComm","2025","27","21","3545","3551","10.1039/D5CE00223K","","","0.71073","MoKα","","0.1025","0.0523","","","0.1183","0.1407","","","","","","1.021","","","","has coordinates","300739","2025-07-06","15:15:21",""
"7250347","26.9241","0.001","7.5422","0.0003","21.1043","0.0008","90","","106.909","0.001","90","","4100.3","0.3","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 Cl2 N2 O2 S -","- C19 H22 Cl2 N2 O2 S -","- C152 H176 Cl16 N16 O16 S8 -","8","1","","Dowdell, Zachary T.; Peach, Austin A.; Purdie, John P.; Holmes, Sean T.; Watanabe, Lara K.; Rawson, Jeremy M.; Schurko, Robert W.","Mechanochemical synthesis and 35Cl NMR crystallography of ionic cocrystals of phenothiazine drugs","CrystEngComm","2025","27","22","3752","3768","10.1039/D5CE00426H","","","0.71073","MoKα","","0.0405","0.0303","","","0.0667","0.0715","","","","","","1.052","","","","has coordinates","300685","2025-07-06","14:57:09",""
"7250348","26.8901","0.0013","7.5402","0.0004","21.1999","0.0009","90","","106.365","0.002","90","","4124.3","0.3","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 Cl2 N2 O2 S -","- C19 H23 Cl2 N2 O2 S -","- C152 H184 Cl16 N16 O16 S8 -","8","1","","Dowdell, Zachary T.; Peach, Austin A.; Purdie, John P.; Holmes, Sean T.; Watanabe, Lara K.; Rawson, Jeremy M.; Schurko, Robert W.","Mechanochemical synthesis and 35Cl NMR crystallography of ionic cocrystals of phenothiazine drugs","CrystEngComm","2025","27","22","3752","3768","10.1039/D5CE00426H","","","0.71073","MoKα","","0.0352","0.0305","","","0.0737","0.0765","","","","","","1.074","","","","has coordinates","300685","2025-07-06","14:57:10",""
"7250349","5.5401","0.0001","21.2296","0.0006","31.9506","0.0007","90","","90","","90","","3757.84","0.15","100.02","0.11","100.02","0.11","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C160 H144 N48 O32 -","16","2","","Qin, Changsheng; Li, Chenxu; Gao, Fang; Wang, Jingfang; Zhang, Zhihua; Zhang, Shuai; Li, Xinyue; Sun, Yi; Hu, Meiqian; Wang, Shoucai; Ji, Fanghua; Jiang, Guangbin","A photo-Fenton-like (trideutero)methylation reaction of N/O heterocycles with DMSO(-d6) induced by EDA complex photocatalysis","Green Chemistry","2025","27","21","6206","6212","10.1039/D4GC05939E","","x-ray","0.71073","MoKα","","0.0574","0.0402","","","0.0945","0.1037","","","","","","1.036","","","","has coordinates","301019","2025-07-06","17:23:04",""
"7250350","7.4718","0.0003","8.1648","0.0005","10.7809","0.0005","76.573","0.004","80.404","0.004","66.171","0.005","583.22","0.06","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl6 In N2 O2 -","- C18 H20 Cl6 In N2 O2 -","- C18 H20 Cl6 In N2 O2 -","1","0.5","","Khachroum, Hajer; Ben Rhaiem, Abdallah; Abdelbaky, Mohammed S. M.; Dammak, Mohamed; García-Granda, Santiago","Synthesis, crystal structure, vibrational study, optical characterization, Hirshfeld surface analysis and dielectric studies of a new indium-based hybrid material formulated as [(C<sub>9</sub>H<sub>8</sub>N)<sub>2</sub>(InCl<sub>6</sub>)·2(H<sub>2</sub>O)].","RSC advances","2025","15","17","13628","13642","10.1039/d5ra01127b","","x-ray","0.71073","MoKα","","0.136","0.0751","","","0.1556","0.1822","","","","","","1.05","","","","has coordinates","299460","2025-04-30","01:08:22",""
"7250351","15.9487","0.0008","7.4063","0.0004","9.5158","0.0005","90","","90","","90","","1124.01","0.1","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1,3,3-trimethyl-2-oxabicycle[2.2.2] octane-5,8-diol","","- C10 H20 O4 -","- C10 H20 O4 -","- C40 H80 O16 -","4","1","","Galvez, Carolina E.; Piro, Oscar E.; Echeverría, Gustavo A.; Vignesh, Krishnan; Thamotharan, Subbiah; Loandos, María del H.; Gil, Diego M.","Supramolecular assembly mediated by hydrogen bonds and weak noncovalent interactions in two eucalyptol derivatives with potential antineoplastic activity: crystal structure, Hirshfeld surface analysis, DFT calculations and molecular docking analysis","CrystEngComm","2025","27","22","3806","3822","10.1039/D5CE00308C","","x-ray","0.71073","MoKα","","0.0703","0.0478","","","0.1056","0.1223","","","","","","1.033","","","","has coordinates","300683","2025-07-06","14:56:17",""
"7250352","7.7247","0.0003","8.6013","0.0004","18.5304","0.0008","90","","90","","90","","1231.21","0.09","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,3,3-trimethyl-2-oxabicycle[2.2.2]octane-5-acetyl-8-oxo","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Galvez, Carolina E.; Piro, Oscar E.; Echeverría, Gustavo A.; Vignesh, Krishnan; Thamotharan, Subbiah; Loandos, María del H.; Gil, Diego M.","Supramolecular assembly mediated by hydrogen bonds and weak noncovalent interactions in two eucalyptol derivatives with potential antineoplastic activity: crystal structure, Hirshfeld surface analysis, DFT calculations and molecular docking analysis","CrystEngComm","2025","27","22","3806","3822","10.1039/D5CE00308C","","x-ray","0.71073","MoKα","","0.0633","0.0441","","","0.095","0.107","","","","","","1.011","","","","has coordinates","300683","2025-07-06","14:56:17",""
"7250353","18.983","0.004","12.971","0.003","10.549","0.002","90","","112.82","0.03","90","","2394.2","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H28 F3 I N6 P2 Pd -","- C19 H28 F3 I N6 P2 Pd -","- C76 H112 F12 I4 N24 P8 Pd4 -","4","0.5","","Lorenzon, Tommaso; Vescovo, Maria; Maiullari, Michele; Tonon, Giovanni; Conceição, Nuno Reis; Carabineiro, Sónia A. C.; Mahmoud, Abdallah G.; Dietl, Martin C.; Demitri, Nicola; Orian, Laura; Nogara, Pablo A.; Caligiuri, Isabella; Rizzolio, Flavio; Hashmi, A. Stephen K.; Visentin, Fabiano; Scattolin, Thomas","Influence of the charge of 1,3,5-triaza-7-phosphaadamantane-based ligands on the anticancer activity of organopalladium complexes","RSC Advances","2025","15","18","14058","14071","10.1039/D5RA02119G","","","0.62","Synchrotron","","0.0497","0.0435","","","0.1249","0.1283","","","","","","1.208","","","","has coordinates","299485","2025-05-02","01:06:11",""
"7250354","10.593","0.002","10.717","0.002","11.282","0.002","88.76","0.03","74.42","0.03","74.02","0.03","1184.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H28 I N7 O2 P2 Pd -","- C18 H28 I N7 O2 P2 Pd -","- C36 H56 I2 N14 O4 P4 Pd2 -","2","1","","Lorenzon, Tommaso; Vescovo, Maria; Maiullari, Michele; Tonon, Giovanni; Conceição, Nuno Reis; Carabineiro, Sónia A. C.; Mahmoud, Abdallah G.; Dietl, Martin C.; Demitri, Nicola; Orian, Laura; Nogara, Pablo A.; Caligiuri, Isabella; Rizzolio, Flavio; Hashmi, A. Stephen K.; Visentin, Fabiano; Scattolin, Thomas","Influence of the charge of 1,3,5-triaza-7-phosphaadamantane-based ligands on the anticancer activity of organopalladium complexes","RSC Advances","2025","15","18","14058","14071","10.1039/D5RA02119G","","","0.62","Synchrotron","","0.03","0.0288","","","0.0712","0.0721","","","","","","1.067","","","","has coordinates","299485","2025-05-02","01:06:14",""
"7250355","10.1175","0.0005","11.0197","0.0005","22.3483","0.0013","90","","90.674","0.005","90","","2491.5","0.2","266","12","266","12","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H34.34 N O4.67 -","- C29 H34.34 N O4.67 -","- C116 H137.36 N4 O18.68 -","4","1","","Parida, Sonali Priyadarshini; Mohapatra, Seetaram; Mohapatra, Suhasini; Behera, Tankadhar; Nayak, Sabita; Sahoo, Chita Ranjan","Design and synthesis of tetrahydrochromeno[3,4-e]isoindole-1,3(2H,3aH)-dione derivatives via the Diels–Alder reaction: molecular docking, antibacterial activity, ADMET analysis and photophysical properties","RSC Advances","2025","15","18","14499","14517","10.1039/D5RA02212F","","x-ray","1.54184","CuKα","","0.0665","0.0527","","","0.1264","0.1489","","","","","","1.115","","","","has coordinates","299557","2025-05-07","01:21:43",""
"7250356","10.3111","0.0003","4.75675","0.00013","11.9502","0.0004","90","","92.026","0.003","90","","585.76","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C26 H18 Br4 N2 O2 -","2","1","","Zhang, Zaixiang; Li, Xin; Liu, Junyu; Wang, Manman; Yang, Yang; Wang, Deyin","Similar polymorphism of derivatives of salicylideneanilines with varying halo-substitution","CrystEngComm","2025","27","21","3594","3604","10.1039/D5CE00057B","","x-ray","1.54184","CuKα","","0.03","0.0299","","","0.0848","0.0848","","","","","","1.056","","","","has coordinates","300741","2025-07-06","15:15:57",""
"7250357","10.1482","0.0005","4.7544","0.0002","11.9871","0.0008","90","","92.605","0.005","90","","577.76","0.05","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C26 H18 Br2 Cl2 N2 O2 -","2","0.5","","Zhang, Zaixiang; Li, Xin; Liu, Junyu; Wang, Manman; Yang, Yang; Wang, Deyin","Similar polymorphism of derivatives of salicylideneanilines with varying halo-substitution","CrystEngComm","2025","27","21","3594","3604","10.1039/D5CE00057B","","x-ray","0.71073","MoKα","","0.0555","0.0537","","","0.1259","0.1266","","","","","","1.391","","","","has coordinates,has disorder","300741","2025-07-06","15:15:58",""
"7250358","10.1919","0.0005","4.7204","0.0002","11.9836","0.0006","90","","92.458","0.004","90","","576","0.05","113.15","","113.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C26 H18 Br2 Cl2 N2 O2 -","2","1","","Zhang, Zaixiang; Li, Xin; Liu, Junyu; Wang, Manman; Yang, Yang; Wang, Deyin","Similar polymorphism of derivatives of salicylideneanilines with varying halo-substitution","CrystEngComm","2025","27","21","3594","3604","10.1039/D5CE00057B","","x-ray","0.71073","MoKα","","0.049","0.0421","","","0.0932","0.0994","","","","","","1.051","","","","has coordinates","300741","2025-07-06","15:15:58",""
"7250359","11.9327","0.0014","11.8361","0.0013","29.118","0.003","90","","90","","90","","4112.5","0.8","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H17 Br F N3 O3 -","- C23 H17 Br F N3 O3 -","- C184 H136 Br8 F8 N24 O24 -","8","1","","Mehreen, Saba; Ali, Muhammad Imran; Muntha, Sidra tul; Zia, Mehwash; Ullah, Aman; Ullah, Saeed; Khan, Ajmal; Hussain, Javid; Anwar, Muhammad U.; Al-Harrasi, Ahmed; Naseer, Muhammad Moazzam","Synthesis, structural insights and bio-evaluation of N-phenoxyethylisatin hydrazones as potent α-glucosidase inhibitors","RSC Advances","2025","15","19","14717","14729","10.1039/D5RA00770D","","","0.71073","MoKα","","0.067","0.0417","","","0.0952","0.11","","","","","","1.098","","","","has coordinates","299573","2025-05-08","01:14:01",""
"7250360","27.51","0.004","12.545","0.002","17.886","0.003","90","","120.486","0.008","90","","5319.3","1.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H17 N4 O2 -","- C12 H17 N4 O2 -","- C192 H272 N64 O32 -","16","2","","Letyagin, Gleb; Chernavin, Platon A.; Maryunina, Kseniya; Tolstikov, Svyatoslav E.; Tretyakov, Evgeny V.; Romanenko, Galina; Bogomyakov, Artem","Specific features of the spin density distribution and magnetic properties in a series of pyrazolyl-substituted nitronyl nitroxides: a magnetochemical and quantum chemical study","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01102G","","","0.71073","MoKα","","0.1212","0.0449","","","0.0838","0.1049","","","","","","0.821","","","","has coordinates","299591","2025-05-09","01:08:03",""
"7250361","6.439","0.0005","11.1141","0.0009","11.5261","0.0009","62.947","0.006","76.883","0.006","89.549","0.005","711.1","0.11","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Br N4 O2 -","- C12 H18 Br N4 O2 -","- C24 H36 Br2 N8 O4 -","2","1","","Letyagin, Gleb; Chernavin, Platon A.; Maryunina, Kseniya; Tolstikov, Svyatoslav E.; Tretyakov, Evgeny V.; Romanenko, Galina; Bogomyakov, Artem","Specific features of the spin density distribution and magnetic properties in a series of pyrazolyl-substituted nitronyl nitroxides: a magnetochemical and quantum chemical study","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01102G","","","0.71073","MoKα","","0.0935","0.0471","","","0.0981","0.1075","","","","","","0.87","","","","has coordinates","299591","2025-05-09","01:08:04",""
"7250362","11.2774","0.0004","13.9041","0.0004","18.6426","0.0005","90","","90","","90","","2923.2","0.15","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H21 N4 O2 -","- C13 H21 N4 O2 -","- C104 H168 N32 O16 -","8","1","","Letyagin, Gleb; Chernavin, Platon A.; Maryunina, Kseniya; Tolstikov, Svyatoslav E.; Tretyakov, Evgeny V.; Romanenko, Galina; Bogomyakov, Artem","Specific features of the spin density distribution and magnetic properties in a series of pyrazolyl-substituted nitronyl nitroxides: a magnetochemical and quantum chemical study","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01102G","","","0.71073","MoKα","","0.099","0.0405","","","0.0973","0.1135","","","","","","0.875","","","","has coordinates","299591","2025-05-09","01:08:05",""
"7250363","7.3953","0.0002","12.4423","0.0004","17.4655","0.0006","90","","98.508","0.002","90","","1589.39","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 N4 O2 -","- C14 H23 N4 O2 -","- C56 H92 N16 O8 -","4","1","","Letyagin, Gleb; Chernavin, Platon A.; Maryunina, Kseniya; Tolstikov, Svyatoslav E.; Tretyakov, Evgeny V.; Romanenko, Galina; Bogomyakov, Artem","Specific features of the spin density distribution and magnetic properties in a series of pyrazolyl-substituted nitronyl nitroxides: a magnetochemical and quantum chemical study","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01102G","","","0.71073","MoKα","","0.128","0.0599","","","0.1597","0.1919","","","","","","0.92","","","","has coordinates,has disorder","299591","2025-05-09","01:08:05",""
"7250364","11.4485","0.0005","16.5913","0.0008","14.7557","0.0006","90","","90","","90","","2802.8","0.2","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H19 N4 O2 -","- C13 H19 N4 O2 -","- C104 H152 N32 O16 -","8","1","","Letyagin, Gleb; Chernavin, Platon A.; Maryunina, Kseniya; Tolstikov, Svyatoslav E.; Tretyakov, Evgeny V.; Romanenko, Galina; Bogomyakov, Artem","Specific features of the spin density distribution and magnetic properties in a series of pyrazolyl-substituted nitronyl nitroxides: a magnetochemical and quantum chemical study","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01102G","","","0.71073","MoKα","","0.1319","0.048","","","0.1004","0.123","","","","","","1.094","","","","has coordinates,has disorder","299591","2025-05-09","01:08:06",""
"7250365","13.9705","0.0016","7.5726","0.001","15.0705","0.0017","90","","93.979","0.009","90","","1590.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 N4 O2 -","- C14 H23 N4 O2 -","- C56 H92 N16 O8 -","4","1","","Letyagin, Gleb; Chernavin, Platon A.; Maryunina, Kseniya; Tolstikov, Svyatoslav E.; Tretyakov, Evgeny V.; Romanenko, Galina; Bogomyakov, Artem","Specific features of the spin density distribution and magnetic properties in a series of pyrazolyl-substituted nitronyl nitroxides: a magnetochemical and quantum chemical study","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01102G","","","0.71073","MoKα","","0.1133","0.0395","","","0.0836","0.1036","","","","","","0.822","","","","has coordinates,has disorder","299591","2025-05-09","01:08:06",""
"7250366","12.2645","0.0006","11.4078","0.0007","12.3143","0.0006","90","","118.58","0.003","90","","1512.97","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N4 O2 -","- C14 H21 N4 O2 -","- C56 H84 N16 O8 -","4","1","","Letyagin, Gleb; Chernavin, Platon A.; Maryunina, Kseniya; Tolstikov, Svyatoslav E.; Tretyakov, Evgeny V.; Romanenko, Galina; Bogomyakov, Artem","Specific features of the spin density distribution and magnetic properties in a series of pyrazolyl-substituted nitronyl nitroxides: a magnetochemical and quantum chemical study","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01102G","","","0.71073","MoKα","","0.1052","0.0468","","","0.1084","0.1308","","","","","","0.891","","","","has coordinates","299591","2025-05-09","01:08:06",""
"7250367","7.5557","0.0003","21.6258","0.0007","9.621","0.0004","90","","95.616","0.003","90","","1564.51","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 N4 O2 -","- C14 H23 N4 O2 -","- C56 H92 N16 O8 -","4","1","","Letyagin, Gleb; Chernavin, Platon A.; Maryunina, Kseniya; Tolstikov, Svyatoslav E.; Tretyakov, Evgeny V.; Romanenko, Galina; Bogomyakov, Artem","Specific features of the spin density distribution and magnetic properties in a series of pyrazolyl-substituted nitronyl nitroxides: a magnetochemical and quantum chemical study","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01102G","","","0.71073","MoKα","","0.1354","0.0481","","","0.0876","0.1087","","","","","","0.8","","","","has coordinates","299591","2025-05-09","01:08:07",""
"7250368","7.1705","0.0006","13.2915","0.0012","11.4194","0.0009","90","","90","","90","","1088.35","0.16","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C10 H8 Ag N3 O3 -","- C10 H8 Ag N3 O3 -","- C40 H32 Ag4 N12 O12 -","4","0.5","","Dar, Rouf Ali; Hashmi, Athar Adil","Synthesis, structural analysis, and properties of silver-based 1D and 3D coordination polymers","CrystEngComm","2025","27","24","4090","4101","10.1039/D4CE01242A","","","0.71073","MoKα","","0.1153","0.0546","","","0.0925","0.1094","","","","","","1.147","","","","has coordinates","300677","2025-07-06","14:54:37",""
"7250369","5.7471","0.0001","10.678","0.0003","12.9823","0.0003","98.574","0.002","96.369","0.001","97.329","0.002","774.46","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H9 Ag2 O4 -","- C17 H9 Ag2 O4 -","- C34 H18 Ag4 O8 -","2","1","","Dar, Rouf Ali; Hashmi, Athar Adil","Synthesis, structural analysis, and properties of silver-based 1D and 3D coordination polymers","CrystEngComm","2025","27","24","4090","4101","10.1039/D4CE01242A","","","0.71073","MoKα","","0.0642","0.0405","","","0.0674","0.0742","","","","","","1.072","","","","has coordinates","300677","2025-07-06","14:54:37",""
"7250370","9.2957","0.0002","10.6694","0.0002","15.5017","0.0003","90","","90","","90","","1537.45","0.05","655","","655","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H10 S4 -","- C18 H10 S4 -","- C72 H40 S16 -","4","0.5","","Guo, Caiyun; Wang, Yibin; Zhang, Chenghao; Liu, Hui; Han, Liangliang","Optical and crystalline properties of benzo[1,2-b:4,5-b′]dithiophene derivatives","RSC Advances","2025","15","20","15604","15608","10.1039/D5RA02189H","","","1.54178","CuKα","","0.0311","0.0308","","","0.0831","0.0834","","","","","","1.122","","","","has coordinates,has disorder","299624","2025-05-13","01:14:08",""
"7250371","9.8882","0.0005","9.5312","0.0005","10.5265","0.0005","90","","101.118","0.002","90","","973.47","0.08","655","2","655","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 S4 -","- C22 H18 S4 -","- C44 H36 S8 -","2","0.5","","Guo, Caiyun; Wang, Yibin; Zhang, Chenghao; Liu, Hui; Han, Liangliang","Optical and crystalline properties of benzo[1,2-b:4,5-b′]dithiophene derivatives","RSC Advances","2025","15","20","15604","15608","10.1039/D5RA02189H","","","1.54178","CuKα","","0.0551","0.055","","","0.1613","0.1615","","","","","","1.136","","","","has coordinates","299624","2025-05-13","01:14:08",""
"7250372","10.3935","0.0003","9.611","0.0003","10.5517","0.0003","90","","104.165","0.001","90","","1021.98","0.05","655","2","655","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O2 S4 -","- C22 H18 O2 S4 -","- C44 H36 O4 S8 -","2","0.5","","Guo, Caiyun; Wang, Yibin; Zhang, Chenghao; Liu, Hui; Han, Liangliang","Optical and crystalline properties of benzo[1,2-b:4,5-b′]dithiophene derivatives","RSC Advances","2025","15","20","15604","15608","10.1039/D5RA02189H","","","1.54178","CuKα","","0.0535","0.0528","","","0.1516","0.1521","","","","","","1.045","","","","has coordinates","299624","2025-05-13","01:14:09",""
"7250373","9.5302","0.0005","8.6654","0.0004","12.0363","0.0006","90","","104.263","0.002","90","","963.35","0.08","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 S4 -","- C20 H14 O2 S4 -","- C40 H28 O4 S8 -","2","0.5","","Guo, Caiyun; Wang, Yibin; Zhang, Chenghao; Liu, Hui; Han, Liangliang","Optical and crystalline properties of benzo[1,2-b:4,5-b′]dithiophene derivatives","RSC Advances","2025","15","20","15604","15608","10.1039/D5RA02189H","","x-ray","1.54178","CuKα","","0.0412","0.0395","","","0.1093","0.1107","","","","","","1.081","","","","has coordinates,has disorder","299624","2025-05-13","01:14:09",""
"7250374","14.7901","0.0013","15.1095","0.0012","16.3477","0.0014","90","","105.661","0.003","90","","3517.6","0.5","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 Cl0 Co2 N6 O5 S4 -","- C27 H39 Co2 N6 O5 S4 -","- C108 H156 Co8 N24 O20 S16 -","4","1","","Bera, Susovan; Bhunia, Sudip; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and DFT investigation of a mixed-valence Co(iii)/Co(ii) complex stabilized by supramolecular interactions","RSC Advances","2025","15","20","15530","15538","10.1039/D5RA02432C","","","0.71073","MoKα","","0.1303","0.0778","","","0.1817","0.2126","","","","","","1.047","","","","has coordinates","299625","2025-05-13","01:14:31",""
"7250375","10.3767","0.0005","20.8762","0.001","8.854","0.0003","90","","113.457","0.0019","90","","1759.5","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Vala, Disha P.; Socha, Bhavesh N.; Collins, Victoria G.; Parmar, Mehul P.; Patel, Chirag D.; Bhalodiya, Savan S.; Patel, Subham G.; Banerjee, Sourav; Patel, Hitendra M.","Insights into the synthesis and structural properties of pro-chiral 2-acetyl-N-aryl-2-(prop-2-yn-1-yl)pent-4-ynamides/-2-allyl-4-enamide derivatives through kinetics and energy frameworks","RSC Advances","2025","15","20","15712","15723","10.1039/D5RA02166A","","","0.71073","MoKα","","0.0808","0.0454","","","0.1007","0.1191","","","","","","1.016","","","","has coordinates","299626","2025-05-13","01:14:46",""
"7250376","14.064","0.002","14.064","0.002","23.056","0.005","90","","90","","120","","3949.4","1.2","150","0.1","150","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","2-fur-Zn7.3H2O","2-fur-Zn7","","- C65 H88 N8 O29 Zn7 -","- C60 H78 N8 O24 Zn7 -","- C120 H156 N16 O48 Zn14 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0836","0.0582","","","0.1528","0.1656","","","","","","1.055","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250377","14.1","0.002","14.1","0.002","22.702","0.005","90","","90","","120","","3908.7","1.2","149.9","0.1","149.9","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[2-Fur-Co7].3H2O","2-Fur-Co7","","- C59 H76 Co7 N8 O29 -","- C54 H66 Co7 N8 O24 -","- C108 H132 Co14 N16 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0954","0.0777","","","0.2159","0.2313","","","","","","1.071","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250378","13.8241","0.0001","13.8241","0.0001","23.4073","0.0004","90","","90","","120","","3873.96","0.08","100","0.2","100","0.2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[Cou-Ni7].3H2O","Coumarin-Ni7","","- C63 H78 N8 Ni7 O29 -","- C54 H66 N8 Ni7 O24 -","- C108 H132 N16 Ni14 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0603","0.0575","","","0.1884","0.1923","","","","","","1.132","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250379","13.8183","0.0005","13.8183","0.0005","23.1848","0.0014","90","","90","","120","","3833.9","0.3","150.1","0.1","150.1","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[3-fur-Ni7].3H2O","3-Fur-Ni7","","- C59 H76 N8 Ni7 O29 -","- C54 H66 N8 Ni7 O24 -","- C108 H132 N16 Ni14 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.099","0.0793","","","0.2261","0.2398","","","","","","1.125","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250380","14.098","0.002","14.098","0.002","22.706","0.005","90","","90","","120","","3908.3","1.2","150","0.1","150","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[3-fur-Co7].4.5H2O","3-Fur-Co7","","- C59 H79 Co7 N8 O30.5 -","- C54 H66 Co7 N8 O24 -","- C108 H132 Co14 N16 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.1275","0.0936","","","0.2519","0.2778","","","","","","1.089","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250381","14.01","","14.01","","23.002","","90","","90","","120","","3909.96","","173","0.2","173","0.2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","Bzal-Zn7.5H2O","","","- C67 H82 N8 O30 Zn7 -","- C60 H78 N8 O24 Zn7 -","- C120 H156 N16 O48 Zn14 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.6889","synchrotron","","0.0432","0.0416","","","0.136","0.1373","","","","","","1.069","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250382","14.1434","0.0001","14.1434","0.0001","22.9392","0.0002","90","","90","","120","","3973.9","0.05","100","0.1","100","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[Ap-Co7].7H2O","AP-Co7","","- C68 H100 Co7 N8 O32 -","- C60 H78 Co7 N8 O24 -","- C120 H156 Co14 N16 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0743","0.0719","","","0.2024","0.2042","","","","","","1.22","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250383","14.0528","0.0001","14.0528","0.0001","23.008","0.0002","90","","90","","120","","3934.91","0.05","100","0.1","100","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[2-AF-Co7].7H2O","AF-Co7","","- C66 H98 Co7 N8 O33 -","- C60 H78 Co7 N8 O24 -","- C120 H156 Co14 N16 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0644","0.0635","","","0.1781","0.179","","","","","","1.186","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250384","13.8113","0.0001","13.8113","0.0001","23.2351","0.0001","90","","90","","120","","3838.35","0.04","100","2","100.15","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","AF-Ni7","","- C60 H78 N8 Ni7 O24 -","- C60 H78 N8 Ni7.00002 O24 -","- C120 H156 N16 Ni14 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0753","0.0747","","","0.2238","0.2246","","","","","","1.0266","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250385","8.3991","0.0011","11.6602","0.0015","12.1285","0.0016","90","","103.325","0.006","90","","1155.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C56 H44 N4 O8 S4 -","4","1","","Kutasevich, Alexandra G.; Nikitina, Evgeniya V.; Novoselskaya, Yana S.; Grigoriev, Mikhail S.; Brazhkin, Vadim V.; Kia, Reza; Zubkov, Fedor I.; Gomila, Rosa M.; Frontera, Antonio","Synthesis and structure of 7-thiabicyclo[2.2.1]heptenes: functional complementarity of the sulfur atom and the ethenyl fragment","CrystEngComm","2025","27","23","3947","3956","10.1039/D4CE01118J","","","0.71073","MoKα","","0.106","0.0513","","","0.0756","0.0859","","","","","","0.801","","","","has coordinates","300734","2025-07-06","15:13:41",""
"7250386","10.7276","0.0012","6.3628","0.0007","17.39","0.002","90","","93.131","0.004","90","","1185.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C56 H44 N4 O8 S4 -","4","1","","Kutasevich, Alexandra G.; Nikitina, Evgeniya V.; Novoselskaya, Yana S.; Grigoriev, Mikhail S.; Brazhkin, Vadim V.; Kia, Reza; Zubkov, Fedor I.; Gomila, Rosa M.; Frontera, Antonio","Synthesis and structure of 7-thiabicyclo[2.2.1]heptenes: functional complementarity of the sulfur atom and the ethenyl fragment","CrystEngComm","2025","27","23","3947","3956","10.1039/D4CE01118J","","","0.71073","MoKα","","0.1087","0.0542","","","0.1012","0.1218","","","","","","1.017","","","","has coordinates,has disorder","300734","2025-07-06","15:13:42",""
"7250387","17.5842","0.0013","17.5842","0.0013","9.8889","0.0008","90","","90","","120","","2648","0.4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C126 H99 N9 O18 S9 -","9","1","","Kutasevich, Alexandra G.; Nikitina, Evgeniya V.; Novoselskaya, Yana S.; Grigoriev, Mikhail S.; Brazhkin, Vadim V.; Kia, Reza; Zubkov, Fedor I.; Gomila, Rosa M.; Frontera, Antonio","Synthesis and structure of 7-thiabicyclo[2.2.1]heptenes: functional complementarity of the sulfur atom and the ethenyl fragment","CrystEngComm","2025","27","23","3947","3956","10.1039/D4CE01118J","","","0.71073","MoKα","","0.0484","0.0392","","","0.0766","0.0801","","","","","","1.014","","","","has coordinates","300734","2025-07-06","15:13:42",""
"7250388","6.1053","0.0013","13.209","0.003","16.219","0.004","90","","90","","90","","1308","0.5","293.15","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N3 -","- C17 H15 N3 -","- C68 H60 N12 -","4","1","","Xu, Dongping; Jin, Lizhen; Huang, Mengya; Zhang, Wu","Visible-light-induced selenium-mediated cascade cyclization of 2-isocyanobenzonitriles with secondary amines to access indole-fused polycyclics","Green Chemistry","2025","27","23","6880","6886","10.1039/D5GC01245G","","","0.71073","MoKα","","0.0664","0.045","","","0.1177","0.1328","","","","","","0.8525","","","","has coordinates","301017","2025-07-06","17:22:40",""
"7250389","18.961","0.003","9.692","0.0017","16.557","0.003","90","","113.01","0.003","90","","2800.6","0.8","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N6 Se2 -","- C30 H26 N6 Se2 -","- C120 H104 N24 Se8 -","4","1","","Xu, Dongping; Jin, Lizhen; Huang, Mengya; Zhang, Wu","Visible-light-induced selenium-mediated cascade cyclization of 2-isocyanobenzonitriles with secondary amines to access indole-fused polycyclics","Green Chemistry","2025","27","23","6880","6886","10.1039/D5GC01245G","","x-ray","0.71073","MoKα","","0.0724","0.0415","","","0.0976","0.109","","","","","","1.011","","","","has coordinates","301017","2025-07-06","17:22:40",""
"7250390","13.095","0.003","13.262","0.003","14.744","0.003","90","","104.812","0.003","90","","2475.4","0.9","297.15","","297.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cl3 N3 -","- C26 H24 Cl3 N3 -","- C104 H96 Cl12 N12 -","4","1","","Xu, Dongping; Jin, Lizhen; Huang, Mengya; Zhang, Wu","Visible-light-induced selenium-mediated cascade cyclization of 2-isocyanobenzonitriles with secondary amines to access indole-fused polycyclics","Green Chemistry","2025","27","23","6880","6886","10.1039/D5GC01245G","","","0.71073","MoKα","","0.1304","0.0566","","","0.1353","0.1706","","","","","","0.943","","","","has coordinates","301017","2025-07-06","17:22:40",""
"7250391","9.3995","0.0013","11.6864","0.0012","15.4113","0.0013","90","","95.098","0.001","90","","1686.2","0.3","293.15","","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C80 H84 N12 -","4","1","","Xu, Dongping; Jin, Lizhen; Huang, Mengya; Zhang, Wu","Visible-light-induced selenium-mediated cascade cyclization of 2-isocyanobenzonitriles with secondary amines to access indole-fused polycyclics","Green Chemistry","2025","27","23","6880","6886","10.1039/D5GC01245G","","","0.71073","MoKα","","0.0847","0.0509","","","0.127","0.1451","","","","","","1.042","","","","has coordinates","301017","2025-07-06","17:22:40",""
"7250392","23.572","0.003","9.4987","0.001","15.8731","0.0016","90","","91.44","0.004","90","","3552.9","0.7","297","2","297","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H30 Br6 N2 Zn -","- C12 H30 Br6 N2 Zn -","- C72 H180 Br36 N12 Zn6 -","6","1.5","","Rebhi, Yosra; Dakhlaoui, Imen; Karoui, Karim; Hajlaoui, Fadhel; Drissi, Nidhal; Zaghrioui, Mustapha; Autret, Cecile; Audebrand, Nathalie; Dorcet, Vincent; Jomni, Fethi","Halogen-regulating synthesis of a novel semiconductor hybrid material [(CH3)3N(CH2)3Br]2ZnBr4 with high-temperature phase transition","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP00883B","","","0.71073","MoKα","","0.1077","0.0611","","","0.1212","0.1359","","","","","","1.03","","","","has coordinates","299643","2025-05-14","00:56:44",""
"7250393","8.0489","0.0009","8.2275","0.0008","8.8795","0.0009","65.458","0.01","78.475","0.009","73.773","0.01","511.22","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 N4 O3 -","- C8 H14 N4 O3 -","- C16 H28 N8 O6 -","2","1","","Mal, Susital; Franco, Chris H. J.; Kumar, Binay; Kirillov, Alexander M.; Das, Subrata","Exploring uracil derivatives: synthesis, crystal structure insights, and antibacterial activity","CrystEngComm","2025","27","21","3456","3466","10.1039/D5CE00362H","","x-ray","0.71073","MoKα","","0.0645","0.0507","","","0.1373","0.1494","","","","","","1.051","","","","has coordinates,has disorder","300744","2025-07-06","15:16:19",""
"7250394","5.1105","0.0006","7.7802","0.0009","13.1733","0.0013","77.211","0.009","89.735","0.009","76.363","0.01","495.76","0.1","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H12 N2 O6 -","- C7 H12 N2 O6 -","- C14 H24 N4 O12 -","2","1","","Mal, Susital; Franco, Chris H. J.; Kumar, Binay; Kirillov, Alexander M.; Das, Subrata","Exploring uracil derivatives: synthesis, crystal structure insights, and antibacterial activity","CrystEngComm","2025","27","21","3456","3466","10.1039/D5CE00362H","","x-ray","0.71073","MoKα","","0.0673","0.0566","","","0.1543","0.1627","","","","","","1.074","","","","has coordinates","300744","2025-07-06","15:16:20",""
"7250395","9.9018","0.00014","16.9395","0.0003","19.7237","0.0003","90","","90","","90","","3308.29","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H34 Cl N2 Ni P -","- C41 H34 Cl N2 Ni P -","- C164 H136 Cl4 N8 Ni4 P4 -","4","1","","Li, Jin-Ge; Qiu, Bing-Bo; Jiang, Hui; Song, Mao-Ping; Gong, Jun-Fang","Chiral PCN pincer Ni(ii) complex-catalyzed asymmetric hydrophosphination of 2-alkenoylpyridines with diphenylphosphine","RSC Advances","2025","15","20","15904","15918","10.1039/D5RA01336D","","x-ray","1.54184","CuKα","","0.0447","0.0397","","","0.094","0.0976","","","","","","1.046","","","","has coordinates","299687","2025-05-15","01:17:45",""
"7250396","10.22391","0.00012","13.9906","0.00016","26.8623","0.0003","90","","90","","90","","3842.35","0.08","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 Cl3 N2 Ni O2 P S -","- C42 H36 Cl3 N2 Ni O2 P S -","- C168 H144 Cl12 N8 Ni4 O8 P4 S4 -","4","1","","Li, Jin-Ge; Qiu, Bing-Bo; Jiang, Hui; Song, Mao-Ping; Gong, Jun-Fang","Chiral PCN pincer Ni(ii) complex-catalyzed asymmetric hydrophosphination of 2-alkenoylpyridines with diphenylphosphine","RSC Advances","2025","15","20","15904","15918","10.1039/D5RA01336D","","x-ray","1.54184","CuKα","","0.0458","0.0412","","","0.1044","0.1086","","","","","","1.032","","","","has coordinates","299687","2025-05-15","01:17:47",""
"7250397","28.7861","0.0017","9.8408","0.0005","22.2091","0.0017","90","","109.059","0.008","90","","5946.5","0.7","291.15","","291.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C34 H28 Cl N2 Ni O P -","- C34 H28 Cl N2 Ni O P -","- C272 H224 Cl8 N16 Ni8 O8 P8 -","8","2","","Li, Jin-Ge; Qiu, Bing-Bo; Jiang, Hui; Song, Mao-Ping; Gong, Jun-Fang","Chiral PCN pincer Ni(ii) complex-catalyzed asymmetric hydrophosphination of 2-alkenoylpyridines with diphenylphosphine","RSC Advances","2025","15","20","15904","15918","10.1039/D5RA01336D","","","1.54184","CuKα","","0.0633","0.0477","","","0.1099","0.1198","","","","","","0.99","","","","has coordinates,has disorder","299687","2025-05-15","01:17:49",""
"7250398","3.6489","","5.2142","","11.601","","90","","92.336","","90","","220.538","","900","0.8","900","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.068","0.0515","","","0.1263","0.1352","","","","2.1742","2.1742","2.0051","","","","has coordinates","300679","2025-07-06","14:55:11",""
"7250399","3.6486","0.0003","5.2056","0.0004","11.5352","0.001","90","","92.607","0.007","90","","218.86","0.03","750","0.6","750","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B Ca O -","- B Ca O2.5 -","- B4 Ca4 O10 -","4","1","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0564","0.0366","","","0.0389","0.041","","","","1.3942","1.3942","1.2063","","","","has coordinates","300679","2025-07-06","14:55:14",""
"7250400","3.6444","0.0004","5.2008","0.0004","11.54","0.001","90","","92.62","0.008","90","","218.5","0.03","699.8","0.8","699.8","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B Ca O -","- B Ca O2.5 -","- B4 Ca4 O10 -","4","1","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0547","0.0368","","","0.0399","0.0417","","","","1.5362","1.5362","1.3453","","","","has coordinates","300679","2025-07-06","14:55:14",""
"7250401","3.6429","","5.2104","","11.6055","","90","","92.277","","90","","220.11","","850","0.7","850","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.1752","0.0528","","","0.1081","0.128","","","","2.3548","2.3548","1.2859","","","","has coordinates","300679","2025-07-06","14:55:14",""
"7250402","3.6595","","5.2202","","11.589","","90","","92.198","","90","","221.226","","1000","1","1000","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0725","0.0548","","","0.1198","0.124","","","","2.806","2.806","2.4294","","","","has coordinates","300679","2025-07-06","14:55:14",""
"7250403","3.6696","","5.2199","","11.6056","","90","","92.172","","90","","222.145","","1100","1","1100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0588","0.0425","","","0.0922","0.0959","","","","2.1929","2.1929","1.9211","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250404","3.6501","0.0003","5.2064","0.0003","11.5393","0.0009","90","","92.563","0.006","90","","219.07","0.03","770","0.5","770","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B Ca O -","- B Ca O2.5 -","- B4 Ca4 O10 -","4","1","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0462","0.0322","","","0.035","0.0367","","","","1.4942","1.4942","1.347","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250405","3.6124","0.0003","5.1861","0.0003","11.5194","0.0008","90","","92.945","0.006","90","","215.52","0.03","300.1","0.6","300.1","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0323","0.0269","","","0.0365","0.0371","","","","1.7753","1.7753","1.6587","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250406","3.6283","0.0003","5.194","0.0003","11.5264","0.001","90","","92.814","0.007","90","","216.96","0.03","500","0.4","500","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B Ca O -","- B Ca O2.5 -","- B4 Ca4 O10 -","4","1","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0366","0.0286","","","0.0344","0.0354","","","","1.5459","1.5459","1.4379","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250407","3.6402","","5.2095","","11.6161","","90","","92.301","","90","","220.106","","840","0.6","840","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.1216","0.0576","","","0.1271","0.1355","","","","2.7885","2.7885","1.7848","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250408","3.6368","","5.2083","","11.6259","","90","","92.257","","90","","220.042","","810","","810","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.1071","0.0601","","","0.0821","0.0873","","","","2.3576","2.3576","1.7009","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250409","3.6396","","5.2104","","11.6194","","90","","92.307","","90","","220.169","","830","0.6","830","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.1484","0.0518","","","0.1035","0.1198","","","","2.0117","2.0117","1.2209","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250410","8.8617","0.0007","6.9703","0.0004","27.1759","0.0017","90","","100.016","0.003","90","","1653.04","0.19","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Kim, Han Byeol; Han, Dong Kyun; Lee, Jae Kyun; Han, Seo-Jung","Electrochemical dearomatization of 2-naphthols for C–O bond formation","RSC Advances","2025","15","21","16276","16280","10.1039/D5RA02693H","","","0.71075","MoKα","","0.0911","0.0471","","","0.1391","0.1729","","","","","","1.034","","","","has coordinates","299705","2025-05-16","01:12:13",""
"7250411","16.8237","0.0006","12.2192","0.0004","18.3904","0.0007","90","","106.431","0.002","90","","3626.2","0.2","296.15","0.03","296.15","0.03","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 N24 O16 S3 -","- C18 H38 N24 O16 S3 -","- C72 H152 N96 O64 S12 -","4","1","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, J. N.","Influence of organic and alkali metal cations over a crystal lattice of the benzenetrihydroxy trisulfonate ligand","CrystEngComm","2025","27","24","4116","4124","10.1039/D5CE00320B","","","0.71073","MoKα","","0.0578","0.0426","","","0.1061","0.1169","","","","","","1.017","","","","has coordinates","300680","2025-07-06","14:55:35",""
"7250412","12.8318","0.0009","12.185","0.0009","25.4468","0.0018","90","","90","","90","","3978.7","0.5","296.15","0.02","296.15","0.02","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H19 N6 Na3 O14 S3 -","- C8 H15 N6 Na3 O14 S3 -","- C64 H120 N48 Na24 O112 S24 -","8","0.5","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, J. N.","Influence of organic and alkali metal cations over a crystal lattice of the benzenetrihydroxy trisulfonate ligand","CrystEngComm","2025","27","24","4116","4124","10.1039/D5CE00320B","","","0.71073","MoKα","","0.045","0.0361","","","0.0899","0.0953","","","","","","1.065","","","","has coordinates,has disorder","300680","2025-07-06","14:55:35",""
"7250413","8.8233","0.0004","19.8695","0.0009","18.6688","0.0008","90","","90","","90","","3272.9","0.3","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H7 K3 O14 S3 -","- C6 H3 K3 O14 S3 -","- C48 H24 K24 O112 S24 -","8","0.5","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, J. N.","Influence of organic and alkali metal cations over a crystal lattice of the benzenetrihydroxy trisulfonate ligand","CrystEngComm","2025","27","24","4116","4124","10.1039/D5CE00320B","","","0.71073","MoKα","","0.0345","0.0292","","","0.0787","0.0821","","","","","","1.045","","","","has coordinates","300680","2025-07-06","14:55:35",""
"7250414","12.6137","0.0001","16.6885","0.0001","23.7719","0.0002","90","","90","","90","","5004.07","0.07","150","2","150.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52.3 H66.9 O12.15 -","- C52.3 H66.9 O12.15 -","- C209.2 H267.6 O48.6 -","4","1","","Gee, Anthony P.; Gianga, Tiberiu-M.; Kociok-Köhn, Gabriele; Pantoş, G. Dan; Lewis, Simon E.","Synthesis and resolution of a 1,1′-biazulene analogue of BINOL","RSC Advances","2025","15","19","14881","14892","10.1039/D5RA02520F","","x-ray","1.54184","CuKα","","0.0351","0.0326","","","0.0829","0.0846","","","","","","1.027","","","","has coordinates,has disorder","299718","2025-05-17","01:08:29",""
"7250415","12.4714","0.0015","17.3833","0.0007","22.554","0.002","90","","90","","90","","4889.6","0.8","150","2","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H66 O12 -","- C52 H66 O12 -","- C208 H264 O48 -","4","1","","Gee, Anthony P.; Gianga, Tiberiu-M.; Kociok-Köhn, Gabriele; Pantoş, G. Dan; Lewis, Simon E.","Synthesis and resolution of a 1,1′-biazulene analogue of BINOL","RSC Advances","2025","15","19","14881","14892","10.1039/D5RA02520F","","x-ray","1.54184","CuKα","","0.1585","0.0651","","","0.1316","0.1682","","","","","","0.897","","","","has coordinates,has disorder","299718","2025-05-17","01:08:30",""
"7250416","7.0912","0.0003","9.4533","0.0004","37.611","0.002","90","","90","","90","","2521.3","0.2","150","2","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 O8 -","- C30 H30 O8 -","- C120 H120 O32 -","4","1","","Gee, Anthony P.; Gianga, Tiberiu-M.; Kociok-Köhn, Gabriele; Pantoş, G. Dan; Lewis, Simon E.","Synthesis and resolution of a 1,1′-biazulene analogue of BINOL","RSC Advances","2025","15","19","14881","14892","10.1039/D5RA02520F","","x-ray","1.54184","CuKα","","0.0725","0.0643","","","0.1503","0.1545","","","","","","1.124","","","","has coordinates","299718","2025-05-17","01:08:30",""
"7250417","12.8541","0.0007","8.4683","0.0005","15.3887","0.0009","90","","110.066","0.006","90","","1573.41","0.17","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Cao, Xi-Ying; Li, Zhong-Hao; Cao, Xiao-Hui; Li, Zong; Pang, Chu-Ming; Zhang, Zu-Qi; Wang, Zhao-Yang","Multifunctional 3-cyanopyridine compounds: synthesis based on a tandem reaction with 100% atom economy and their applications","Green Chemistry","2025","27","24","7300","7306","10.1039/D5GC01264C","","x-ray","0.71073","MoKα","","0.0863","0.0645","","","0.1588","0.1742","","","","","","1.017","","","","has coordinates","300999","2025-07-06","17:19:13",""
"7250418","7.1028","0.0013","8.8291","0.0016","12.7916","0.0017","90","","95.609","0.013","90","","798.3","0.2","297","","297","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Cl N3 O -","- C17 H16 Cl N3 O -","- C34 H32 Cl2 N6 O2 -","2","1","","Cao, Xi-Ying; Li, Zhong-Hao; Cao, Xiao-Hui; Li, Zong; Pang, Chu-Ming; Zhang, Zu-Qi; Wang, Zhao-Yang","Multifunctional 3-cyanopyridine compounds: synthesis based on a tandem reaction with 100% atom economy and their applications","Green Chemistry","2025","27","24","7300","7306","10.1039/D5GC01264C","","x-ray","0.71073","MoKα","","0.0755","0.0526","","","0.1048","0.1159","","","","","","1.029","","","","has coordinates,has disorder","300999","2025-07-06","17:19:13",""
"7250419","9.0084","0.0003","8.7513","0.0002","15.7194","0.0004","90","","99.743","0.003","90","","1221.37","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","","Li, Kai; Li, Tong; Zhang, Yupu; Yang, Hao; Sun, Qi; Wang, Zhiyong","Switching between α-alkenylation and α-alkylation of nitriles by coupling multiple electrochemical methods","Green Chemistry","2025","27","23","6734","6740","10.1039/D5GC01206F","","x-ray","1.54184","CuKα","","0.0495","0.0382","","","0.0948","0.1025","","","","","","1.061","","","","has coordinates","301016","2025-07-06","17:22:26",""
"7250420","7.5524","0.0004","8.9178","0.0005","9.358","0.0005","83.619","0.004","80.454","0.005","66.215","0.005","568.07","0.06","296.74","0.1","296.74","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O2 S -","- C12 H14 N2 O2 S -","- C24 H28 N4 O4 S2 -","2","1","","Lei, Zhi-Long; Tan, Dan; Qin, Jin-Tao; Meng, Xiu-Jin; Cui, Fei-Hu; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemical selective incorporation of SO2 to synthesize fused-ring framework compounds","Green Chemistry","2025","27","23","6825","6830","10.1039/D5GC01138H","","","1.54178","CuKα","","0.0918","0.0844","","","0.2608","0.2676","","","","","","1.116","","","","has coordinates","301015","2025-07-06","17:22:19",""
"7250421","11.2743","0.0001","24.3447","0.0003","11.0893","0.0002","90","","96.945","0.001","90","","3021.34","0.07","295.81","0.1","295.81","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O5 S2 -","- C13 H16 N2 O5 S2 -","- C104 H128 N16 O40 S16 -","8","2","","Lei, Zhi-Long; Tan, Dan; Qin, Jin-Tao; Meng, Xiu-Jin; Cui, Fei-Hu; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemical selective incorporation of SO2 to synthesize fused-ring framework compounds","Green Chemistry","2025","27","23","6825","6830","10.1039/D5GC01138H","","x-ray","1.54184","CuKα","","0.0807","0.0686","","","0.1843","0.1916","","","","","","1.066","","","","has coordinates,has disorder","301015","2025-07-06","17:22:19",""
"7250422","16.7137","0.0006","10.0411","0.0003","13.9102","0.0005","90","","90","","90","","2334.46","0.14","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","20230114L2MONO","","- C18 H27 Cu I N3 Si2 -","- C18 H27 Cu I N3 Si2 -","- C72 H108 Cu4 I4 N12 Si8 -","4","1","","Sato, Kei-ichi; Hattori, Mineyuki; Yamanoi, Yoshinori","CP/MAS NMR studies on binding environment of CH3CN in Cu(i) complexes with disilane-bridged bis(methylpyridine) ligands","RSC Advances","2025","15","21","16968","16972","10.1039/D5RA02962G","","","0.71073","MoKα","","0.0249","0.0221","","","0.0423","0.0431","","","","","","1.033","","","","has coordinates","299761","2025-05-21","01:22:31",""
"7250423","9.3981","0.0005","10.1021","0.0006","14.9219","0.0008","81.667","0.002","74.599","0.001","64.227","0.001","1229.25","0.12","112","2","112","","","","","","","","","6","P -1","-P 1","2","","20221107L1CuI100K","","- C36 H54 Cu4 I4 N6 Si4 -","- C36 H54 Cu4 I4 N6 Si4 -","- C36 H54 Cu4 I4 N6 Si4 -","1","0.5","","Sato, Kei-ichi; Hattori, Mineyuki; Yamanoi, Yoshinori","CP/MAS NMR studies on binding environment of CH3CN in Cu(i) complexes with disilane-bridged bis(methylpyridine) ligands","RSC Advances","2025","15","21","16968","16972","10.1039/D5RA02962G","","","0.71073","MoKα","","0.0502","0.034","","","0.0635","0.0706","","","","","","1.036","","","","has coordinates","299761","2025-05-21","01:22:32",""
"7250424","9.8145","0.0005","14.001","0.0008","16.7363","0.001","90","","98.366","0.002","90","","2275.3","0.2","109","","109","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","20220606L2CuI100K","","- C32 H48 Cu4 I4 N4 Si4 -","- C32 H48 Cu4 I4 N4 Si4 -","- C64 H96 Cu8 I8 N8 Si8 -","2","0.5","","Sato, Kei-ichi; Hattori, Mineyuki; Yamanoi, Yoshinori","CP/MAS NMR studies on binding environment of CH3CN in Cu(i) complexes with disilane-bridged bis(methylpyridine) ligands","RSC Advances","2025","15","21","16968","16972","10.1039/D5RA02962G","","","0.71073","MoKα","","0.0184","0.0177","","","0.0459","0.0462","","","","","","1.063","","","","has coordinates","299761","2025-05-21","01:22:32",""
"7250425","14.6656","0.0007","13.5195","0.0006","23.2999","0.0011","90","","107","0.005","90","","4417.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H36 Cl18 N4 O12 Tb2 -","- C70 H36 Cl18 N4 O12 Tb2 -","- C140 H72 Cl36 N8 O24 Tb4 -","2","0.5","","Cai, Ziyan; Li, Ping; Yu, Xiaobo; Lai, Lin; Yu, Cilin; Hu, Yuan; Gao, Xiaolei; Zeng, Chenghui","Visual sensing Ni2+ in real samples with test paper based on a new dinuclear terbium complex","CrystEngComm","2025","27","25","4304","4311","10.1039/D5CE00117J","","","0.71073","MoKα","","0.0627","0.0504","","","0.141","0.1517","","","","","","0.985","","","","has coordinates","300711","2025-07-06","15:07:20",""
"7250426","53.485","0.006","11.0654","0.0012","22.52","0.002","90","","113.926","0.006","90","","12183","2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C108 H114 Cu3 N12 O60 S6 -","- C108 H114 Cu3 N12 O60 S6 -","- C432 H456 Cu12 N48 O240 S24 -","4","0.5","","Saeed, Maham; Sharif, Shahzad; Shah, Javed Hussain; Afzal, Tayyaba Tur Rehman; Shahbaz, Muhammad; Shehzad, Azhar Mehmood; Shahzad, Ayesha; Şahin, Onur; Shahzad, Sundas","Synergetic interplay of a nitrogen- and sulfur-rich copper bi-linker 2D cubic-layered MOF composite with MXene for improved hybrid supercapacitor application","RSC Advances","2025","15","22","17130","17141","10.1039/D5RA02060C","","","0.71073","MoKα","","0.0943","0.0631","","","0.1287","0.1459","","","","","","1.082","","","","has coordinates","299779","2025-05-22","01:14:48",""
"7250427","16.7979","0.0006","22.4214","0.0009","35.2924","0.0011","90","","90","","90","","13292.3","0.8","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19.92 H11.83 Cl1.83 F N5 O3 -","- C19.917 H11.834 Cl1.834 F N5 O3 -","- C478.008 H284.016 Cl44.016 F24 N120 O72 -","24","6","","Song, Luying; Sun, Yuhong; An, Renbo; Wang, Liming; Jin, Ying","Enantioselective synthesis of spiro[indoline-3,1′-pyrazolo[1,2-b]phthalazine] derivatives via an organocatalytic three-component cascade reaction","RSC Advances","2025","15","21","17031","17035","10.1039/D5RA01633A","","","1.54178","CuKα","","0.0725","0.0649","","","0.1716","0.1803","","","","","","1.045","","","","has coordinates,has disorder","299780","2025-05-22","01:15:12",""
"7250428","6.5974","0.0009","13.245","0.002","8.8593","0.0013","90","","92.415","0.004","90","","773.46","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 Eu Na O9 S -","- C2 H4 Eu Na O9 S -","- C8 H16 Eu4 Na4 O36 S4 -","4","1","","Yuan, Yue; Huang, Liangliang; Lu, Yang; Shao, Xin; Bi, Yanfeng","A dual-function europium sulfite–oxalate complex for proton conduction and selection of Fe3+ ions","CrystEngComm","2025","27","28","4844","4850","10.1039/D5CE00458F","","","0.71073","MoKα","","0.0178","0.0172","","","0.0393","0.0398","","","","","","1.069","","","","has coordinates","301561","2025-08-05","21:32:36",""
"7250429","9.6781","0.0011","9.9149","0.0011","27.66","0.003","90","","99.307","0.003","90","","2619.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 I2 N6 O4 Zn -","- C20 H28 I2 N6 O4 Zn -","- C80 H112 I8 N24 O16 Zn4 -","4","1","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0405","0.0331","","","0.0934","0.0979","","","","","","1.056","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250430","7.53","0.004","8.876","0.005","12.919","0.007","71.439","0.013","74.215","0.013","68.987","0.012","751.9","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Br2 Cd N8 O4 -","- C28 H28 Br2 Cd N8 O4 -","- C28 H28 Br2 Cd N8 O4 -","1","0.5","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0466","0.0275","","","0.0562","0.0629","","","","","","1.048","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250431","38.197","0.002","4.6289","0.0002","17.4981","0.0009","90","","116.519","0.0016","90","","2768.3","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Hg2 I4 N4 O2 -","- C18 H22 Hg2 I4 N4 O2 -","- C72 H88 Hg8 I16 N16 O8 -","4","0.5","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0465","0.0315","","","0.0651","0.0697","","","","","","1.026","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250432","8.9922","0.0008","11.0373","0.0011","11.2843","0.0011","93.85","0.002","112.858","0.0019","111.598","0.0019","930.25","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cd I2 N4 O2 -","- C14 H14 Cd I2 N4 O2 -","- C28 H28 Cd2 I4 N8 O4 -","2","1","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.1166","0.0488","","","0.0608","0.0746","","","","","","0.969","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250433","8.61","0.02","10.55","0.03","10.87","0.03","94.51","0.06","112.25","0.06","110.1","0.08","833","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 I2 N4 O2 Zn -","- C14 H14 I2 N4 O2 Zn -","- C28 H28 I4 N8 O4 Zn2 -","2","1","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.236","0.0824","","","0.1235","0.1568","","","","","","1.014","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250434","8.5935","0.0006","5.121","0.0004","21.3841","0.0016","90","","99.26","0.002","90","","928.79","0.12","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C14 H14 Hg I2 N4 O2 -","- C14 H14 Hg I2 N4 O2 -","- C28 H28 Hg2 I4 N8 O4 -","2","0.5","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0497","0.0361","","","0.0914","0.0993","","","","","","1.055","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250435","8.263","0.0005","24.8667","0.0015","9.4656","0.0006","90","","115.88","","90","","1749.87","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Br2 Cd2 N8 O8 -","- C30 H28 Br2 Cd2 N8 O8 -","- C60 H56 Br4 Cd4 N16 O16 -","2","0.5","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0326","0.0254","","","0.0564","0.0592","","","","","","1.031","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250436","8.9249","0.001","11.0499","0.0013","11.3056","0.0013","94.773","0.003","112.746","0.002","110.951","0.002","927.97","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Hg I2 N4 O2 -","- C14 H14 Hg I2 N4 O2 -","- C28 H28 Hg2 I4 N8 O4 -","2","1","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.1403","0.0486","","","0.0595","0.0771","","","","","","0.944","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250437","17.859","0.002","13.892","0.002","10.4606","0.0013","90","","124.251","0.003","90","","2145.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Cd N4 O10 -","- C16 H22 Cd N4 O10 -","- C64 H88 Cd4 N16 O40 -","4","0.5","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0378","0.0282","","","0.0543","0.0582","","","","","","1.048","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250438","8.1474","0.0003","22.1923","0.0008","9.4033","0.0003","90","","113.027","0.0009","90","","1564.73","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Br2 Cd N8 O4 -","- C28 H28 Br2 Cd N8 O4 -","- C56 H56 Br4 Cd2 N16 O8 -","2","0.5","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0403","0.0272","","","0.0538","0.0574","","","","","","1.034","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250439","12.0191","0.0015","13.5251","0.0017","14.9707","0.0018","90","","109.607","0.003","90","","2292.5","0.5","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H22 Cd I2 N4 O2 -","- C18 H22 Cd I2 N4 O2 -","- C72 H88 Cd4 I8 N16 O8 -","4","1","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0916","0.0383","","","0.05","0.063","","","","","","1.006","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250440","14.3166","0.0004","10.3015","0.0003","17.545","0.0004","90","","90","","90","","2587.58","0.12","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N3 S -","- C13 H15 N3 S -","- C104 H120 N24 S8 -","8","1","","Zhou, Honghao; Zhang, Yike; Ma, Liting; Liu, Xiangyang; Zhang, Chun; Tong, Feifei; Hu, Dandan; Zhang, Jun-Qi; Yang, Jianguo","Electrochemically driven tandem addition–cyclization: synthesis of thiadiazinanes and thiophosphonates","Green Chemistry","2025","27","24","7336","7343","10.1039/D5GC01831E","","","1.54178","CuKα","","0.0389","0.0361","","","0.1055","0.1074","","","","","","1.074","","","","has coordinates","301000","2025-07-06","17:19:21",""
"7250441","8.9241","0.0002","9.106","0.0002","10.2978","0.0002","70.545","0.002","74.245","0.002","74.481","0.002","744.8","0.03","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C36 H32 O6 -","2","1","","He, Yicheng; Unnikrishnan, Krishnapriya Anattil; Yin, Wenhao; Kuniyil, Rositha; Du, Haifeng; Guo, Wusheng","B(C6F5)3-catalysed cyclic carbonate editing","Green Chemistry","2025","27","23","6741","6746","10.1039/D5GC01888A","","x-ray","1.54184","CuKα","","0.0416","0.0406","","","0.1103","0.1111","","","","","","1.048","","","","has coordinates","301018","2025-07-06","17:22:52",""
"7250442","43.284","0.004","20.552","0.0017","26.903","0.002","90","","126.944","0.001","90","","19127","3","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H30 N15 Ni3 O56 W12 -","- C45 H30 N15 Ni3 O56 W12 -","- C360 H240 N120 Ni24 O448 W96 -","8","1","","Jiao, Jiachen; Zhang, Chuanbao; Sun, Hui; Hu, Haina; Xu, Ziqing; Zhao, Junwei; Han, Qiuxia; Ma, Pengtao","Photocatalytic oxidation of various C–H bonds by a polyoxometalate nanocluster-dominated compartmentalized metal–organic framework","Green Chemistry","2025","27","25","7608","7619","10.1039/D5GC00269A","","","0.71073","MoKα","","0.073","0.0435","","","0.1091","0.1301","","","","","","1.023","","","","has coordinates","301006","2025-07-06","17:20:46",""
"7250443","6.1084","0.0003","8.9906","0.0005","15.92","0.0009","90","","90","","90","","874.3","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H13 N2 O5 P -","- C5 H13 N2 O5 P -","- C20 H52 N8 O20 P4 -","4","1","","Kwain, Samuel; Morris, James W. D.; McKeon, Jillian Elisa Milanes; Roster, Colm P.; Noori, Monireh; Gibbs, Aysiah R.; Stevenson III, Robert L; McMillen, Colin; Dominy, Brian N.; Morris, James C.; Whitehead, Daniel Charles","Assessment of the structure-activity relationship of analogs of the Naegleria fowleri enolase inhibitor HEX","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00277J","","","0.71073","MoKα","","0.0331","0.0314","","","0.0774","0.0787","","","","","","1.102","","","","has coordinates","299803","2025-05-24","00:04:41",""
"7250444","8.3552","0.0002","6.4722","0.0002","18.7224","0.0005","90","","90.8761","0.0009","90","","1012.32","0.05","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N O5 P -","- C9 H10 N O5 P -","- C36 H40 N4 O20 P4 -","4","1","","Kwain, Samuel; Morris, James W. D.; McKeon, Jillian Elisa Milanes; Roster, Colm P.; Noori, Monireh; Gibbs, Aysiah R.; Stevenson III, Robert L; McMillen, Colin; Dominy, Brian N.; Morris, James C.; Whitehead, Daniel Charles","Assessment of the structure-activity relationship of analogs of the Naegleria fowleri enolase inhibitor HEX","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00277J","","","0.71073","MoKα","","0.0592","0.0461","","","0.1065","0.1202","","","","","","1.081","","","","has coordinates","299803","2025-05-24","00:04:43",""
"7250445","7.9644","0.0006","13.679","0.0011","22.3497","0.0017","79.967","0.005","86.095","0.005","85.56","0.005","2386.8","0.3","223","","223","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H39 N -","- C60 H39 N -","- C120 H78 N2 -","2","1","","Lin, Ling; Li, Yulong; Lin, Youran; Huang, Yu; Li, Mingke; Yu, Yue; Ying, Lei; Ma, Yuguang","Manipulating Excited States of Non-Doped Deep Blue Emitter by Adjusting the Intramolecular Torsion Angle","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP00955C","","","1.54178","CuKα","","0.0618","0.0465","","","0.1425","0.1544","","","","","","1.043","","","","has coordinates","299806","2025-05-24","00:58:12",""
"7250446","10.198","0.0011","24.749","0.003","25.865","0.003","63.934","0.006","89.248","0.007","81.575","0.007","5791.2","1.2","223","","223","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H39 N -","- C60 H39 N -","- C240 H156 N4 -","4","2","","Lin, Ling; Li, Yulong; Lin, Youran; Huang, Yu; Li, Mingke; Yu, Yue; Ying, Lei; Ma, Yuguang","Manipulating Excited States of Non-Doped Deep Blue Emitter by Adjusting the Intramolecular Torsion Angle","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP00955C","","","1.54178","CuKα","","0.1533","0.094","","","0.2303","0.2722","","","","","","1.01","","","","has coordinates,has disorder","299806","2025-05-24","00:58:13",""
"7250447","8.9767","0.0009","9.9167","0.0011","13.7275","0.0016","90","","90","","90","","1222","0.2","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H14 Cl4 Cu N2 -","- C5 H14 Cl4 Cu N2 -","- C20 H56 Cl16 Cu4 N8 -","4","1","","Zuo, Kang; Yu, Ruisi; Bao, Wei; Shao, Shuai; Cao, Qing-Ling; Du, Hao; Tian, Linna; Zhao, Jia-Jia; Chen, Li-Zhuang","A stable and sensitive organic–inorganic hybrid reversible thermochromic material: [1-(2-fluoroethyl)piperazine]2[CuCl4]","CrystEngComm","2025","27","27","4707","4712","10.1039/D5CE00330J","","","0.71073","MoKα","","0.0347","0.0315","","","0.074","0.0754","","","","","","1.091","","","","has coordinates","301564","2025-08-05","21:33:15",""
"7250448","7.5307","0.0012","9.9035","0.0017","17.459","0.003","90","","90","","90","","1302.1","0.4","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H15 Cl4 Cu N2 -","- C6 H15 Cl4 Cu N2 -","- C24 H60 Cl16 Cu4 N8 -","4","1","","Zuo, Kang; Yu, Ruisi; Bao, Wei; Shao, Shuai; Cao, Qing-Ling; Du, Hao; Tian, Linna; Zhao, Jia-Jia; Chen, Li-Zhuang","A stable and sensitive organic–inorganic hybrid reversible thermochromic material: [1-(2-fluoroethyl)piperazine]2[CuCl4]","CrystEngComm","2025","27","27","4707","4712","10.1039/D5CE00330J","","","0.71073","MoKα","","0.0394","0.0351","","","0.0842","0.0862","","","","","","1.006","","","","has coordinates","301564","2025-08-05","21:33:16",""
"7250449","7.5451","0.0005","17.9299","0.0011","9.7675","0.0005","90","","102.46","0.004","90","","1290.25","0.14","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Cl4 Cu F N2 -","- C6 H15 Cl4 Cu F N2 -","- C24 H60 Cl16 Cu4 F4 N8 -","4","1","","Zuo, Kang; Yu, Ruisi; Bao, Wei; Shao, Shuai; Cao, Qing-Ling; Du, Hao; Tian, Linna; Zhao, Jia-Jia; Chen, Li-Zhuang","A stable and sensitive organic–inorganic hybrid reversible thermochromic material: [1-(2-fluoroethyl)piperazine]2[CuCl4]","CrystEngComm","2025","27","27","4707","4712","10.1039/D5CE00330J","","","0.71073","MoKα","","0.0349","0.0298","","","0.0721","0.0748","","","","","","1.081","","","","has coordinates","301564","2025-08-05","21:33:16",""
"7250450","25.8207","0.0007","25.8207","0.0007","31.7971","0.0007","90","","90","","120","","18359.2","0.8","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H90 Dy1.44 Er0.56 N32 O63 -","- C36 H80 Dy1.44 Er0.56 N32 O63.0018 -","- C324 H720 Dy12.96 Er5.04 N288 O567.016 -","9","0.5","","Rakhmanova, Mariana I.; Sukhikh, Taisiya S.; Andrienko, Irina V.; Kovalenko, Ekaterina A.","Multicolor luminescence of supramolecular compounds based on mixed Dy-lanthanide complexes and cucurbit[6]uril for logic gate operation and WLED application.","Physical chemistry chemical physics : PCCP","2025","","","","","10.1039/d5cp01338k","","","0.71073","MoKα","","0.0528","0.0418","","","0.12","0.1303","","","","","","1.183","","","","has coordinates,has disorder","299838","2025-05-28","01:00:50",""
"7250451","13.4485","0.0003","14.4739","0.0004","18.2996","0.0005","73.751","0.001","87.332","0.001","87.813","0.001","3414.89","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Dy0.66 N31 Nd1.33 O49 -","- C36 H68 Dy0.6666 N31 Nd1.3334 O49 -","- C72 H136 Dy1.3332 N62 Nd2.6668 O98 -","2","1","","Rakhmanova, Mariana I.; Sukhikh, Taisiya S.; Andrienko, Irina V.; Kovalenko, Ekaterina A.","Multicolor luminescence of supramolecular compounds based on mixed Dy-lanthanide complexes and cucurbit[6]uril for logic gate operation and WLED application.","Physical chemistry chemical physics : PCCP","2025","","","","","10.1039/d5cp01338k","","","0.71073","MoKα","","0.0542","0.0371","","","0.0713","0.0762","","","","","","1.039","","","","has coordinates,has disorder","299838","2025-05-28","01:00:52",""
"7250452","13.4119","0.0003","14.4765","0.0002","18.2272","0.0004","73.8275","0.0006","87.283","0.0007","87.7342","0.0006","3393.8","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H68 Dy0.38 Eu1.06 N31 O49 Tb0.56 -","- C36 H68 Dy0.38 Eu1.06 N31 O49 Tb0.56 -","- C72 H136 Dy0.76 Eu2.12 N62 O98 Tb1.12 -","2","1","","Rakhmanova, Mariana I.; Sukhikh, Taisiya S.; Andrienko, Irina V.; Kovalenko, Ekaterina A.","Multicolor luminescence of supramolecular compounds based on mixed Dy-lanthanide complexes and cucurbit[6]uril for logic gate operation and WLED application.","Physical chemistry chemical physics : PCCP","2025","","","","","10.1039/d5cp01338k","","","0.71073","MoKα","","0.0697","0.0402","","","0.0692","0.0767","","","","","","0.991","","","","has coordinates,has disorder","299838","2025-05-28","01:00:54",""
"7250453","8.214","0.002","11.435","0.003","17.873","0.005","101.983","0.008","96.261","0.008","101.317","0.008","1590.5","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H31 N7 O9 -","- C33 H31 N7 O9 -","- C66 H62 N14 O18 -","2","1","","Singh, Abhay Pratap; Baruah, Jubaraj Bikash","Ternary assembly of pyrazine 2,3-dicarboxylic acid with a ditopic amine","CrystEngComm","2025","27","26","4498","4507","10.1039/D5CE00391A","","","0.71073","MoKα","","0.1497","0.076","","","0.1756","0.2227","","","","","","1.025","","","","has coordinates","300690","2025-07-06","14:58:26",""
"7250454","10.504","0.003","11.035","0.003","12.357","0.004","72.607","0.008","81.828","0.009","87.451","0.009","1352.9","0.7","299","2","299","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N5 O7 -","- C28 H33 N5 O7 -","- C56 H66 N10 O14 -","2","1","","Singh, Abhay Pratap; Baruah, Jubaraj Bikash","Ternary assembly of pyrazine 2,3-dicarboxylic acid with a ditopic amine","CrystEngComm","2025","27","26","4498","4507","10.1039/D5CE00391A","","","0.71073","MoKα","","0.0813","0.0613","","","0.1456","0.1629","","","","","","1.053","","","","has coordinates","300690","2025-07-06","14:58:27",""
"7250455","16.1471","0.0011","8.4748","0.0005","11.769","0.0007","90","","105.399","0.003","90","","1552.69","0.17","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Au Cl3 N3 O -","- C10 H17 Au Cl3 N3 O -","- C40 H68 Au4 Cl12 N12 O4 -","4","1","","Buils, Jordi; Terrón, Angel; Barceló-Oliver, Miquel; Fiol, Juan Jesús; García-Raso, Angel; Gomila, Rosa M.; Frontera, Antonio","Synthesis, X-ray characterization, and DFT calculations of gold–nucleobase complexes: on the importance of regium bonds and anion–π interactions","CrystEngComm","2025","27","24","4081","4089","10.1039/D5CE00363F","","","1.54178","CuKα","","0.0641","0.0493","","","0.1094","0.1203","","","","","","1.063","","","","has coordinates,has disorder","300676","2025-07-06","14:54:28",""
"7250456","6.8686","0.0009","10.7183","0.0014","20.6","0.003","84.708","0.006","86.889","0.006","72.364","0.005","1438.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 Au Cl5 N6 O2 -","- C20 H36 Au Cl5 N6 O2 -","- C40 H72 Au2 Cl10 N12 O4 -","2","1","","Buils, Jordi; Terrón, Angel; Barceló-Oliver, Miquel; Fiol, Juan Jesús; García-Raso, Angel; Gomila, Rosa M.; Frontera, Antonio","Synthesis, X-ray characterization, and DFT calculations of gold–nucleobase complexes: on the importance of regium bonds and anion–π interactions","CrystEngComm","2025","27","24","4081","4089","10.1039/D5CE00363F","","","1.54178","CuKα","","0.1102","0.1083","","","0.2842","0.2851","","","","","","1.176","","","","has coordinates,has disorder","300676","2025-07-06","14:54:28",""
"7250457","62.932","0.002","62.932","0.002","5.69893","0.00015","90","","90","","120","","19546.4","1","297","2","297","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C756 H1026 N54 O270 -","54","3","","Steenhaut, Timothy; Li, Xiao; Zhou, Fuli; Robeyns, Koen; Leyssens, Tom; Filinchuk, Yaroslav; Shemchuk, Oleksii","A hydrogen-bonded organic framework with ultramicroporous channels based on proline and dl-2-phenoxypropionic acid","CrystEngComm","2025","27","23","3887","3890","10.1039/D5CE00357A","","","0.71073","MoKα","","0.1305","0.0795","","","0.1496","0.1672","","","","","","1.097","","","","has coordinates,has disorder","300735","2025-07-06","15:14:03",""
"7250458","62.5573","0.0016","62.5573","0.0016","5.6698","0.00014","90","","90","","120","","19215.6","0.8","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C756 H1026 N54 O270 -","54","3","","Steenhaut, Timothy; Li, Xiao; Zhou, Fuli; Robeyns, Koen; Leyssens, Tom; Filinchuk, Yaroslav; Shemchuk, Oleksii","A hydrogen-bonded organic framework with ultramicroporous channels based on proline and dl-2-phenoxypropionic acid","CrystEngComm","2025","27","23","3887","3890","10.1039/D5CE00357A","","","0.71073","MoKα","","0.0818","0.05","","","0.1109","0.118","","","","","","1.036","","","","has coordinates","300735","2025-07-06","15:14:04",""
"7250459","10.5916","0.0003","10.6052","0.0005","11.5225","0.0004","113.549","0.004","95.905","0.003","115.253","0.004","1013.11","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H52 N6 O16 Tb2 -","- C28 H52 N6 O16 Tb2 -","- C28 H52 N6 O16 Tb2 -","1","0.5","","Ushakov, Daniil A.; Ryadun, Alexey A.; Kovalenko, Konstantin A.; Kirilyuk, Igor A.; Demakov, Pavel A.; Fedin, Vladimir P.","Solvatomorphism, CO2 adsorption and luminescence properties of non-aromatic bis-hydroxamate-based metal–organic frameworks","CrystEngComm","2025","27","27","4699","4706","10.1039/D5CE00383K","","x-ray","0.71073","MoKα","","0.0343","0.0314","","","0.0736","0.0757","","","","","","1.03","","","","has coordinates,has disorder","301566","2025-08-05","21:33:43",""
"7250460","9.7692","0.0004","10.1377","0.0004","10.6609","0.0006","72.938","0.004","72.646","0.004","63.374","0.004","884.97","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 N4 O16 Tb2 -","- C24 H46 N4 O16 Tb2 -","- C24 H46 N4 O16 Tb2 -","1","0.5","","Ushakov, Daniil A.; Ryadun, Alexey A.; Kovalenko, Konstantin A.; Kirilyuk, Igor A.; Demakov, Pavel A.; Fedin, Vladimir P.","Solvatomorphism, CO2 adsorption and luminescence properties of non-aromatic bis-hydroxamate-based metal–organic frameworks","CrystEngComm","2025","27","27","4699","4706","10.1039/D5CE00383K","","x-ray","0.71073","MoKα","","0.0295","0.0243","","","0.0495","0.0521","","","","","","1.034","","","","has coordinates,has disorder","301566","2025-08-05","21:33:43",""
"7250461","5.619","0.0005","8.2905","0.0007","11.0972","0.0009","99.262","0.003","99.099","0.003","102.841","0.003","487.25","0.07","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C18 H30 N2 O8 -","2","1","","Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel","Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids","CrystEngComm","2025","27","27","4686","4698","10.1039/D5CE00380F","","x-ray","0.71073","MoKα","","0.0437","0.0392","","","0.1056","0.109","","","","","","1.034","","","","has coordinates","301563","2025-08-05","21:33:06",""
"7250462","5.6275","0.0003","9.642","0.0005","11.8288","0.0006","100.639","0.002","90.079","0.002","102.129","0.002","616.18","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C28 H26 N2 O8 -","2","1","","Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel","Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids","CrystEngComm","2025","27","27","4686","4698","10.1039/D5CE00380F","","","1.54178","CuKα","","0.0416","0.0415","","","0.1096","0.1096","","","","","","1.122","","","","has coordinates","301563","2025-08-05","21:33:07",""
"7250463","8.0431","0.0007","14.8328","0.0012","16.9537","0.0014","90","","98.675","0.004","90","","1999.5","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 N2 O11 -","- C16 H26 N2 O11 -","- C64 H104 N8 O44 -","4","1","","Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel","Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids","CrystEngComm","2025","27","27","4686","4698","10.1039/D5CE00380F","","","1.54178","CuKα","","0.0609","0.0599","","","0.159","0.1605","","","","","","1.057","","","","has coordinates","301563","2025-08-05","21:33:07",""
"7250464","8.8182","0.0005","5.5773","0.0003","25.613","0.0014","90","","97.959","0.002","90","","1247.56","0.12","299","","299","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N O6 -","- C11 H17 N O6 -","- C44 H68 N4 O24 -","4","1","","Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel","Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids","CrystEngComm","2025","27","27","4686","4698","10.1039/D5CE00380F","","","1.54178","CuKα","","0.0576","0.0551","","","0.1482","0.1502","","","","","","1.067","","","","has coordinates","301563","2025-08-05","21:33:07",""
"7250465","7.9935","0.0007","10.9224","0.001","11.3553","0.001","76.15","0.005","75.668","0.005","72.689","0.005","902.21","0.14","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C38 H42 N2 O8 -","2","1","","Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel","Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids","CrystEngComm","2025","27","27","4686","4698","10.1039/D5CE00380F","","","1.54178","CuKα","","0.1099","0.0908","","","0.2727","0.2846","","","","","","1.069","","","","has coordinates,has disorder","301563","2025-08-05","21:33:07",""
"7250466","5.6443","0.0005","17.2728","0.0014","17.5092","0.0015","90","","90","","90","","1707","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel","Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids","CrystEngComm","2025","27","27","4686","4698","10.1039/D5CE00380F","","","1.54178","CuKα","","0.0435","0.0435","","","0.1095","0.1096","","","","","","1.186","","","","has coordinates","301563","2025-08-05","21:33:07",""
"7250467","20.332","0.0008","9.1554","0.0004","26.9029","0.0011","90","","108.812","0.001","90","","4740.4","0.3","200","2","200","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","9,9'-bifluorenyl-9,9'-diol","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C248 H184 N8 O16 -","8","2","","Groenewaldt, Jaime-lee; Barton, Benita; Hosten, Eric C.","The selectivity behaviour of 9,9′-bifluorenyl-9,9′-diol as a host compound for highly efficient separations of mixed pyridines","CrystEngComm","2025","27","24","4176","4188","10.1039/D5CE00432B","","","0.71073","MoKα","","0.0537","0.0453","","","0.1151","0.1201","","","","","","1.031","","","","has coordinates","300678","2025-07-06","14:54:47",""
"7250468","10.4369","0.0005","10.7155","0.0004","21.6126","0.0009","90","","90","","90","","2417.08","0.18","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9,9'-bifluorenyl-9,9'-diol","","- C32 H25 N O2 -","- C32 H25 N O2 -","- C128 H100 N4 O8 -","4","1","","Groenewaldt, Jaime-lee; Barton, Benita; Hosten, Eric C.","The selectivity behaviour of 9,9′-bifluorenyl-9,9′-diol as a host compound for highly efficient separations of mixed pyridines","CrystEngComm","2025","27","24","4176","4188","10.1039/D5CE00432B","","","0.71073","MoKα","","0.0331","0.031","","","0.0818","0.0835","","","","","","1.063","","","","has coordinates","300678","2025-07-06","14:54:48",""
"7250469","20.6545","0.0007","9.0895","0.0003","27.2828","0.001","90","","109.272","0.001","90","","4835","0.3","200","2","200","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","9,9'-bifluorenyl-9,9'-diol","","- C32 H25 N O2 -","- C32 H25 N O2 -","- C256 H200 N8 O16 -","8","2","","Groenewaldt, Jaime-lee; Barton, Benita; Hosten, Eric C.","The selectivity behaviour of 9,9′-bifluorenyl-9,9′-diol as a host compound for highly efficient separations of mixed pyridines","CrystEngComm","2025","27","24","4176","4188","10.1039/D5CE00432B","","","0.71073","MoKα","","0.0564","0.0483","","","0.1216","0.127","","","","","","1.08","","","","has coordinates","300678","2025-07-06","14:54:48",""
"7250470","16.4563","0.0006","14.201","0.0006","16.436","0.0008","90","","97.994","0.002","90","","3803.7","0.3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Cl N4 O4 -","- C19 H21 Cl N4 O4 -","- C152 H168 Cl8 N32 O32 -","8","1","","Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study","CrystEngComm","2025","27","27","4722","4733","10.1039/D5CE00243E","","","0.71073","MoKα","","0.0612","0.0363","","","0.0432","0.0465","","","","","","1","","","","has coordinates","301562","2025-08-05","21:32:55",""
"7250471","16.4563","0.0006","14.201","0.0006","16.436","0.0008","90","","97.994","0.002","90","","3803.7","0.3","100","","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Cl N4 O4 -","- C19 H21 Cl N4 O4 -","- C152 H168 Cl8 N32 O32 -","8","1","","Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study","CrystEngComm","2025","27","27","4722","4733","10.1039/D5CE00243E","","","0.71073","MoKα","","0.0723","0.0476","","","0.0655","0.0678","","","","","","0.977","","","","has coordinates","301562","2025-08-05","21:32:56",""
"7250472","16.4563","0.0006","14.201","0.0006","16.436","0.0008","90","","97.994","0.002","90","","3803.7","0.3","100","2","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Cl N4 O4 -","- C19 H21 Cl N4 O4 -","- C152 H168 Cl8 N32 O32 -","8","1","","Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study","CrystEngComm","2025","27","27","4722","4733","10.1039/D5CE00243E","","x-ray","0.71073","MoKα","","0.0645","0.0395","","","0.0833","0.0974","","","","","","1.081","","","","has coordinates","301562","2025-08-05","21:32:56",""
"7250473","23.295","0.002","14.4908","0.0015","11.5884","0.0013","90","","100.772","0.003","90","","3842.9","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Cl N4 O3 -","- C19 H19 Cl N4 O3 -","- C152 H152 Cl8 N32 O24 -","8","1","","Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study","CrystEngComm","2025","27","27","4722","4733","10.1039/D5CE00243E","","","0.71073","MoKα","","0.2077","0.0763","","","0.135","0.1809","","","","","","1.016","","","","has coordinates","301562","2025-08-05","21:32:56",""
"7250474","5.926","0.0003","11.6332","0.0006","19.3715","0.001","90","","90","","90","","1335.44","0.12","150","2","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Chen, Yirui; Cheng, Yuqi; Tong, Wanting; Wu, Hangtao; Zhao, Chuhan; Song, Dingguo; Ling, Fei; Zhong, Weihui","Supported manganese catalysts achieve highly efficient C–H bond oxidation and olefin epoxidation","Green Chemistry","2025","27","25","7717","7727","10.1039/D5GC01164G","","x-ray","1.34138","GaKα","","0.032","0.0308","","","0.0796","0.0801","","","","","","1.052","","","","has coordinates","301005","2025-07-06","17:20:34",""
"7250475","11.839","0.002","19.437","0.003","8.4998","0.0012","90","","94.456","0.016","90","","1950","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Ag N5 S3 -","- C17 H18 Ag N5 S3 -","- C68 H72 Ag4 N20 S12 -","4","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","","0.71073","MoKα","","0.2419","0.0983","","","0.1324","0.1587","","","","","","1.002","","","","has coordinates","300682","2025-07-06","14:55:58",""
"7250476","10.4384","0.0004","7.9869","0.0004","25.5132","0.0011","90","","90","","90","","2127.05","0.16","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H9 Ag N3 O3 S -","- C8 H9 Ag N3 O3 S -","- C64 H72 Ag8 N24 O24 S8 -","8","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","x-ray","1.54184","CuKα","","0.0536","0.0372","","","0.0873","0.0966","","","","","","1.042","","","","has coordinates","300682","2025-07-06","14:56:08",""
"7250477","8.9221","0.0007","9.1495","0.0009","15.5032","0.0019","99.962","0.009","105.877","0.009","92.806","0.007","1192.7","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H21 Ag F6 N5 P S2 -","- C18 H21 Ag F6 N5 P S2 -","- C36 H42 Ag2 F12 N10 P2 S4 -","2","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","","0.71073","MoKα","","0.3091","0.0888","","","0.1023","0.1292","","","","","","1.005","","","","has coordinates,has disorder","300682","2025-07-06","14:56:08",""
"7250478","8.7606","0.0004","9.1372","0.0004","14.8333","0.0009","100.491","0.004","106.509","0.005","92.957","0.004","1112.64","0.1","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H21 Ag B F4 N5 S2 -","- C18 H21 Ag B F4 N5 S2 -","- C36 H42 Ag2 B2 F8 N10 S4 -","2","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","","0.71073","MoKα","","0.1731","0.0609","","","0.1148","0.1405","","","","","","1.009","","","","has coordinates","300682","2025-07-06","14:56:08",""
"7250479","8.7317","0.0008","9.0556","0.0008","14.9153","0.0013","100.097","0.007","106.306","0.008","92.91","0.007","1108.14","0.18","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H21 Ag Cl N5 O4 S2 -","- C18 H21 Ag Cl N5 O4 S2 -","- C36 H42 Ag2 Cl2 N10 O8 S4 -","2","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","","0.71073","MoKα","","0.1069","0.0486","","","0.0967","0.1101","","","","","","1.034","","","","has coordinates,has disorder","300682","2025-07-06","14:56:08",""
"7250480","8.2259","0.0004","12.92","0.001","16.5893","0.0012","87.868","0.006","81.755","0.005","86.775","0.005","1741.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Ag N9 O3 S4 -","- C32 H36 Ag N9 O3 S4 -","- C64 H72 Ag2 N18 O6 S8 -","2","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","","0.71073","MoKα","","0.1513","0.0666","","","0.0682","0.0806","","","","","","0.977","","","","has coordinates","300682","2025-07-06","14:56:08",""
"7250481","8.4341","0.0003","13.2016","0.0003","16.9441","0.0006","92.035","0.002","103.887","0.003","94.377","0.002","1823.31","0.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H36 Ag N9 S5 -","- C33 H36 Ag N9 S5 -","- C66 H72 Ag2 N18 S10 -","2","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","x-ray","1.54184","CuKα","","0.0463","0.039","","","0.0963","0.1022","","","","","","1.027","","","","has coordinates","300682","2025-07-06","14:56:08",""
"7250482","24.585","0.004","11.4983","0.0018","16.964","0.005","90","","129.258","0.002","90","","3713.2","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N4 O5.5 Zn -","- C20 H14 N4 O5.5 Zn -","- C160 H112 N32 O44 Zn8 -","8","1","","Liu, Haitao; Li, Senlin; Zhao, Bo; Gu, Yanan; Sun, Qiaozhen; Zhang, Bingguang","Central metal ion of MOFs modulates the fluorescence detection of Fe3+","CrystEngComm","2025","27","26","4582","4590","10.1039/D5CE00419E","","","0.71073","MoKα","","0.1018","0.0498","","","0.1006","0.1233","","","","","","1.014","","","","has coordinates,has disorder","300686","2025-07-06","14:57:23",""
"7250483","15.9757","0.0011","12.5349","0.0009","8.3633","0.0006","90","","90","","90","","1674.8","0.2","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C20 H12 N4 O4 Sr -","- C20 H12 N4 O4 Sr -","- C80 H48 N16 O16 Sr4 -","4","0.5","","Liu, Haitao; Li, Senlin; Zhao, Bo; Gu, Yanan; Sun, Qiaozhen; Zhang, Bingguang","Central metal ion of MOFs modulates the fluorescence detection of Fe3+","CrystEngComm","2025","27","26","4582","4590","10.1039/D5CE00419E","","","0.71073","MoKα","","0.0368","0.0235","","","0.0533","0.0567","","","","","","1.042","","","","has coordinates","300686","2025-07-06","14:57:23",""
"7250484","5.8982","0.0001","7.2515","0.0001","11.027","0.0001","90","","102.253","0.001","90","","460.89","0.011","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","potassium glycolate hemihydrate","potassium hydroxyacetate hemihydrate","","- C2 H4 K O3.5 -","- C2 H4 K O3.5 -","- C8 H16 K4 O14 -","4","1","","Hu, Mingyang; Yang, Hexiong; Huo, Xiaojia; Lian, Bin","Synthesis, structures, characterization and deterioration of potassium glycolate hemihydrate","CrystEngComm","2025","27","28","4816","4825","10.1039/D5CE00182J","","x-ray","1.54184","CuKα","","0.0272","0.0269","","","0.0685","0.0687","","","","","","1.067","","","","has coordinates","301560","2025-08-05","21:32:20",""
"7250485","3.9788","0.0001","17.5322","0.0002","10.5049","0.0001","90","","102.342","0.001","90","","715.86","0.02","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","potassium glycolate glycolic acid","potassium hydroxyacetate hydroxyacetic acid","","- C4 H7 K O6 -","- C4 H7 K O6 -","- C16 H28 K4 O24 -","4","1","","Hu, Mingyang; Yang, Hexiong; Huo, Xiaojia; Lian, Bin","Synthesis, structures, characterization and deterioration of potassium glycolate hemihydrate","CrystEngComm","2025","27","28","4816","4825","10.1039/D5CE00182J","","x-ray","1.54184","CuKα","","0.0323","0.0289","","","0.0787","0.0803","","","","","","1.08","","","","has coordinates","301560","2025-08-05","21:32:29",""
"7250486","21.858","0.0005","21.858","0.0005","14.4715","0.0008","90","","90","","90","","6914.1","0.4","293","2","293.12","","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C41 H55 Ho2 N5 O24 -","- C30 H10 Ho2 N O16 -","- C120 H40 Ho8 N4 O64 -","4","0.5","","Zhang, Tao; Liang, Shujun; Jia, Shuai; Cui, Haibo; Wang, Xinyi; Zhang, Xiutang","Nanoporous [Ho2(CO2)7(H2O)2]-organic frameworks for excellent catalytic performance on the cycloaddition of CO2 into epoxides and the deacetalization-Knoevenagel condensation","RSC Advances","2025","15","22","17811","17818","10.1039/D5RA02269J","","","0.71073","MoKα","","0.049","0.038","","","0.0983","0.1042","","","","","","1.033","","","","has coordinates","299875","2025-05-30","01:24:59",""
"7250487","11.9917","0.0008","12.308","0.0009","6.4995","0.0004","90","","114.554","0.002","90","","872.54","0.1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe3 H2 Na0.69 O12 P3 -","- Fe3 H2 Na0.686 O12 P3 -","- Fe12 H8 Na2.744 O48 P12 -","4","0.5","","Kurashkina, Anna A.; Alekseeva, Anastasia M.; Soboleva, Iana S.; Sobolev, Alexey V.; Mironov, Andrey V.; Marikutsa, Artem V.; Mikheev, Ivan V.; Shatalova, Tatyana B.; Presniakov, Igor A.; Drozhzhin, Oleg A.; Antipov, Evgeny V.","Unraveling the transition from alluaudite to triphylite phases during LiFePO4 hydrothermal synthesis","CrystEngComm","2025","27","24","4209","4220","10.1039/D5CE00097A","powder diffraction","x-ray","1.789","CoKα","","0.0289","0.0285","","0.0385","0.038","","","","1.2","","","","","","","has coordinates","300681","2025-07-06","14:55:45",""
"7250488","4.4671","0.0002","14.8151","0.0008","39.6576","0.0018","90","","90","","90","","2624.6","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Br2 Cl N8 O2 -","- C23 H21 Br2 Cl N8 O2 -","- C92 H84 Br8 Cl4 N32 O8 -","4","1","","Al-Buthabhak, Hawraa S.; Al-Ameed, Karrar; Yu, Yu; Sobolev, Alexandre N.; Moggach, Stephen A.; Al-Salami, Hani; Ferro, Vito; Baker, Murray V.","Gold(i) and gold(iii) complexes of triazolyl-functionalised NHCs","RSC Advances","2025","15","23","18123","18141","10.1039/D5RA02655E","","","1.54178","CuKα","","0.1195","0.106","","","0.2976","0.308","","","","","","1.042","","","","has coordinates","299886","2025-05-31","01:29:02",""
"7250489","4.8645","0.0003","35.428","0.002","33.529","0.003","90","","93.698","0.008","90","","5766.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H50 Au2 Br4 Cl2 N16 O -","- C50 H50 Au2 Br4 Cl2 N16 O -","- C200 H200 Au8 Br16 Cl8 N64 O4 -","4","1","","Al-Buthabhak, Hawraa S.; Al-Ameed, Karrar; Yu, Yu; Sobolev, Alexandre N.; Moggach, Stephen A.; Al-Salami, Hani; Ferro, Vito; Baker, Murray V.","Gold(i) and gold(iii) complexes of triazolyl-functionalised NHCs","RSC Advances","2025","15","23","18123","18141","10.1039/D5RA02655E","","","1.54178","CuKα","","0.1606","0.0931","","","0.2234","0.2772","","","","","","1.005","","","","has coordinates,has disorder","299886","2025-05-31","01:29:03",""
"7250490","18.1824","0.0002","22.9556","0.0002","14.4701","0.0001","90","","111.315","0.001","90","","5626.51","0.1","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Au Br2 Cl3 N8 -","- C23 H20 Au Br2 Cl3 N8 -","- C184 H160 Au8 Br16 Cl24 N64 -","8","2","","Al-Buthabhak, Hawraa S.; Al-Ameed, Karrar; Yu, Yu; Sobolev, Alexandre N.; Moggach, Stephen A.; Al-Salami, Hani; Ferro, Vito; Baker, Murray V.","Gold(i) and gold(iii) complexes of triazolyl-functionalised NHCs","RSC Advances","2025","15","23","18123","18141","10.1039/D5RA02655E","","","0.71073","MoKα","","0.0336","0.0281","","","0.0625","0.0655","","","","","","1.001","","","","has coordinates,has disorder","299886","2025-05-31","01:29:03",""
"7250491","11.5821","0.0002","13.4019","0.0002","20.1568","0.0003","104.821","0.001","102.945","0.001","99.131","0.001","2869.3","0.08","99.9","0.3","99.9","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C23 H20 Au Br2 Cl I2 N8 -","- C23 H20 Au Br2 Cl I2 N8 -","- C92 H80 Au4 Br8 Cl4 I8 N32 -","4","2","","Al-Buthabhak, Hawraa S.; Al-Ameed, Karrar; Yu, Yu; Sobolev, Alexandre N.; Moggach, Stephen A.; Al-Salami, Hani; Ferro, Vito; Baker, Murray V.","Gold(i) and gold(iii) complexes of triazolyl-functionalised NHCs","RSC Advances","2025","15","23","18123","18141","10.1039/D5RA02655E","","","1.54184","CuKα","","0.0748","0.0675","","","0.1651","0.1706","","","","","","1.02","","","","has coordinates","299886","2025-05-31","01:29:04",""
"7250492","9.3136","0.001","17.927","0.002","18.424","0.002","90","","100.615","0.003","90","","3023.5","0.6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 Cl2 I N2 P Pt -","- C32 H30 Cl2 I N2 P Pt -","- C128 H120 Cl8 I4 N8 P4 Pt4 -","4","1","","Fernandez de Larrinoa, Patricia; Kichler, Antoine; Dontenwill, Monique; Herold-Mende, Christel; Fournel, Sylvie; Frisch, Benoit; Bellemin-Laponnaz, Stephane; Heurtault, Beatrice","N-Heterocyclic Carbene Platinum Complexes Encapsulated in Lipid Particles: A Novel Strategy to Target Cancer Cells and Cancer Stem Cells in Glioblastoma.","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00460H","","","0.71073","MoKα","","0.0342","0.0253","","","0.0523","0.0565","","","","","","1.008","","","","has coordinates","299911","2025-06-03","00:16:30",""
"7250493","12.102","0.002","34.633","0.007","21.475","0.004","90","","94.74","0.03","90","","8970","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H128 Co4 N8 O40 Tb4 -","- C64 H128 Co4 N8 O40 Tb4 -","- C256 H512 Co16 N32 O160 Tb16 -","4","0.5","","Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G.","Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters","RSC Advances","2025","15","23","18209","18223","10.1039/D5RA02513C","","","0.71073","MoKα","","0.083","0.047","","","0.0968","0.1106","","","","","","1.024","","","","has coordinates,has disorder","299919","2025-06-03","01:37:05",""
"7250494","12.378","0.005","12.638","0.005","13.23","0.005","79.429","0.005","68.217","0.005","80.352","0.005","1878","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H96 Co2 Eu4 N6 O36 -","- C48 H96 Co2 Eu4 N6 O36 -","- C48 H96 Co2 Eu4 N6 O36 -","1","0.5","","Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G.","Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters","RSC Advances","2025","15","23","18209","18223","10.1039/D5RA02513C","","","0.71073","MoKα","","0.0701","0.0458","","","0.0928","0.103","","","","","","1.026","","","","has coordinates","299919","2025-06-03","01:37:05",""
"7250495","14.783","0.003","15.319","0.003","16.857","0.003","111.12","0.03","110.65","0.03","96.27","0.03","3207.8","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H93 Co3 N8 O26 Sm2 -","- C48 H93 Co3 N8 O26 Sm2 -","- C96 H186 Co6 N16 O52 Sm4 -","2","1","","Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G.","Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters","RSC Advances","2025","15","23","18209","18223","10.1039/D5RA02513C","","","0.71073","MoKα","","0.0461","0.0432","","","0.118","0.1204","","","","","","1.025","","","","has coordinates,has disorder","299919","2025-06-03","01:37:06",""
"7250496","21.351","0.004","19.684","0.004","19.219","0.004","90","","101.84","0.03","90","","7905","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H115 Co3 N8 O32.5 Yb3 -","- C54 H112 Co3 N8 O32.5 Yb3 -","- C216 H448 Co12 N32 O130 Yb12 -","4","1","","Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G.","Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters","RSC Advances","2025","15","23","18209","18223","10.1039/D5RA02513C","","","0.71073","MoKα","","0.0862","0.0541","","","0.1143","0.13","","","","","","1.035","","","","has coordinates,has disorder","299919","2025-06-03","01:37:06",""
"7250497","15.042","0.003","9.4368","0.0019","19.407","0.004","90","","99.15","0.03","90","","2719.7","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H70 Co2 Ho2 N6 O20 -","- C36 H70 Co2 Ho2 N6 O20 -","- C72 H140 Co4 Ho4 N12 O40 -","2","0.5","","Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G.","Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters","RSC Advances","2025","15","23","18209","18223","10.1039/D5RA02513C","","","0.71073","MoKα","","0.0701","0.0455","","","0.1013","0.1136","","","","","","1.018","","","","has coordinates","299919","2025-06-03","01:37:06",""
"7250498","14.8137","0.0004","9.4719","0.0003","19.6397","0.0005","90","","100.451","0.002","90","","2710.01","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H70 Co2 Er2 N6 O20 -","- C36 H70 Co2 Er2 N6 O20 -","- C72 H140 Co4 Er4 N12 O40 -","2","0.5","","Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G.","Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters","RSC Advances","2025","15","23","18209","18223","10.1039/D5RA02513C","","","0.71073","MoKα","","0.0567","0.0398","","","0.0817","0.0902","","","","","","1.023","","","","has coordinates,has disorder","299919","2025-06-03","01:37:06",""
"7250499","14.774","0.003","15.375","0.003","16.834","0.003","111.1","0.03","110.58","0.03","96.02","0.03","3220.4","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H91.5 Co3 N7.5 O26 Pr2 -","- C47 H91.5 Co3 N7.5 O26 Pr2 -","- C94 H183 Co6 N15 O52 Pr4 -","2","1","","Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G.","Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters","RSC Advances","2025","15","23","18209","18223","10.1039/D5RA02513C","","","0.71073","MoKα","","0.1431","0.0749","","","0.1704","0.2153","","","","","","0.875","","","","has coordinates,has disorder","299919","2025-06-03","01:37:09",""
"7250500","12.11","0.002","34.643","0.007","21.499","0.004","90","","94.76","0.03","90","","8988","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H128 Co4 Gd4 N8 O40 -","- C64 H128 Co4 Gd4 N8 O40 -","- C256 H512 Co16 Gd16 N32 O160 -","4","0.5","","Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G.","Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters","RSC Advances","2025","15","23","18209","18223","10.1039/D5RA02513C","","","0.71073","MoKα","","0.1045","0.07","","","0.1733","0.1923","","","","","","1.022","","","","has coordinates,has disorder","299919","2025-06-03","01:37:19",""
"7250501","14.727","0.003","9.2429","0.0019","19.002","0.004","90","","99.06","0.03","90","","2554.3","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H70 Co2 N6 O20 Y2 -","- C36 H70 Co2 N6 O20 Y2 -","- C72 H140 Co4 N12 O40 Y4 -","2","0.5","","Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G.","Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters","RSC Advances","2025","15","23","18209","18223","10.1039/D5RA02513C","","","0.71073","MoKα","","0.05","0.0438","","","0.1159","0.1221","","","","","","1.025","","","","has coordinates","299919","2025-06-03","01:37:28",""
"7250502","14.9","0.003","15.49","0.003","16.96","0.003","110.9","0.03","110.74","0.03","96.08","0.03","3296.8","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H91.5 Co3 N7.5 Nd2 O26 -","- C47 H91.5 Co3 N7.5 Nd2 O26 -","- C94 H183 Co6 N15 Nd4 O52 -","2","1","","Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G.","Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters","RSC Advances","2025","15","23","18209","18223","10.1039/D5RA02513C","","","0.71073","MoKα","","0.1056","0.0579","","","0.1128","0.1316","","","","","","0.994","","","","has coordinates,has disorder","299919","2025-06-03","01:37:37",""
"7250503","8.669","0.003","6.8018","0.0018","13.799","0.004","90","","102.534","0.008","90","","794.3","0.4","298","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H19 Br Cl N O -","- C17 H19 Br Cl N O -","- C34 H38 Br2 Cl2 N2 O2 -","2","1","","Ajaz, Aliya; Shaheen, Muhammad Ashraf; Fayyaz ur Rehman, Muhammad; Ahmad, Maqsood; Munawar, Khurram Shahzad; Siddique, Abu Bakar; Ashfaq, Muhammad; Ahmad, Nazir","Synthesis, characterization and antidiabetic studies of novel amantadine-derived Schiff base (AHB) and its Zn(ii), Co(ii), Cr(iii) and VO(iv) complexes","RSC Advances","2025","15","23","18752","18765","10.1039/D5RA00065C","","x-ray","0.71073","MoKα","","0.2039","0.1369","","","0.3593","0.4292","","","","","","1.544","","","","has coordinates","299973","2025-06-05","01:25:33",""
"7250504","22.0631","0.0012","10.1086","0.0004","21.7781","0.0011","90","","95.399","0.002","90","","4835.6","0.4","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 O11 Ta2 -","- C48 H60 O11 Ta2 -","- C192 H240 O44 Ta8 -","4","0.5","","Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain","Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers","CrystEngComm","2025","27","27","4734","4743","10.1039/D5CE00444F","","","0.56086","AgKα","","0.0447","0.0281","","","0.0544","0.0628","","","","","","1.092","","","","has coordinates","301565","2025-08-05","21:33:33",""
"7250505","24.6357","0.0005","9.2183","0.0002","21.2142","0.0005","90","","94.4971","0.0009","90","","4802.9","0.18","100.1","","100.1","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H64 O11 Ta2 -","- C46 H64 O11 Ta2 -","- C184 H256 O44 Ta8 -","4","0.5","","Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain","Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers","CrystEngComm","2025","27","27","4734","4743","10.1039/D5CE00444F","","","0.71073","MoKα","","0.0496","0.0346","","","0.0661","0.069","","","","","","1.073","","","","has coordinates,has disorder","301565","2025-08-05","21:33:34",""
"7250506","11.9823","0.0009","18.5216","0.0015","14.426","0.0012","90","","95.784","0.003","90","","3185.3","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H76 O20 Ta4 -","- C52 H76 O20 Ta4 -","- C104 H152 O40 Ta8 -","2","0.5","","Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain","Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers","CrystEngComm","2025","27","27","4734","4743","10.1039/D5CE00444F","","","0.56086","AgKα","","0.0428","0.0262","","","0.0461","0.0559","","","","","","1.168","","","","has coordinates,has disorder","301565","2025-08-05","21:33:34",""
"7250507","14.4485","0.0008","12.6909","0.0007","20.2649","0.001","90","","102.852","0.0016","90","","3622.8","0.3","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H84 O20 Ta4 -","- C68 H84 O20 Ta4 -","- C136 H168 O40 Ta8 -","2","0.5","","Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain","Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers","CrystEngComm","2025","27","27","4734","4743","10.1039/D5CE00444F","","","0.56086","AgKα","","0.0462","0.0279","","","0.0531","0.0635","","","","","","1.214","","","","has coordinates","301565","2025-08-05","21:33:34",""
"7250508","11.3938","0.0014","23.187","0.004","24.311","0.004","87.046","0.005","78.852","0.005","80.786","0.005","6218.8","1.7","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C224 H222 O72 Ta16 -","- C224 H222 O72 Ta16 -","- C224 H222 O72 Ta16 -","1","0.5","","Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain","Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers","CrystEngComm","2025","27","27","4734","4743","10.1039/D5CE00444F","","","0.56086","AgKα","","0.1258","0.0766","","","0.1469","0.1907","","","","","","1.116","","","","has coordinates","301565","2025-08-05","21:33:34",""
"7250509","17.2049","0.0001","8.2984","0.0001","21.2414","0.0001","90","","90","","90","","3032.7","0.04","150.15","","150.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","(E)-2-(((2-benzoylphenyl)imino)methyl)phenol","(E)-(2-((2-hydroxybenzylidene)amino)phenyl)(phenyl)methanone","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","1","","Enamullah, Mohammed; Haque, Imdadul; Resma, Amina Khan; Abdullah, Galib; Uddin, Md. Najem; Haj Hassani Sohi, Takin; Woschko, Dennis; Ferber, Peter; Janiak, Christoph","Square planar vs. pyramidal copper(ii)-complexes with benzylal vs. naphthylal-based Schiff bases","RSC Advances","2025","15","23","18358","18371","10.1039/D5RA01982F","","","1.54184","CuKα","","0.0353","0.0341","","","0.0852","0.0862","","","","","","1.062","","","","has coordinates","299991","2025-06-06","01:37:32",""
"7250510","19.4435","0.0003","8.5568","0.0002","19.5887","0.0004","90","","95.049","0.002","90","","3246.41","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[(E)-2-(((2-benzoyl-4-chlorophenyl)imino)methyl)phenolato-κ^2^N,O]copper(II)","","- C40 H26 Cl2 Cu N2 O4 -","- C40 H26 Cl2 Cu N2 O4 -","- C160 H104 Cl8 Cu4 N8 O16 -","4","1","","Enamullah, Mohammed; Haque, Imdadul; Resma, Amina Khan; Abdullah, Galib; Uddin, Md. Najem; Haj Hassani Sohi, Takin; Woschko, Dennis; Ferber, Peter; Janiak, Christoph","Square planar vs. pyramidal copper(ii)-complexes with benzylal vs. naphthylal-based Schiff bases","RSC Advances","2025","15","23","18358","18371","10.1039/D5RA01982F","","x-ray","1.54184","CuKα","","0.0518","0.0441","","","0.1069","0.1104","","","","","","1.084","","","","has coordinates","299991","2025-06-06","01:37:33",""
"7250511","15.84505","0.00007","17.00945","0.00008","17.84919","0.00007","110.539","0.0004","94.0343","0.0004","116.693","0.0005","3872.46","0.04","200","","200","","","","","","","","","6","P -1","-P 1","2","","Bis[(E)-1-(((2-benzoyl-4-chlorophenyl)imino)methyl)naphthalen-2-olato-κ^2^N,O]copper(II)","","- C48 H30 Cl2 Cu N2 O4 -","- C48 H30 Cl2 Cu N2 O4 -","- C192 H120 Cl8 Cu4 N8 O16 -","4","2","","Enamullah, Mohammed; Haque, Imdadul; Resma, Amina Khan; Abdullah, Galib; Uddin, Md. Najem; Haj Hassani Sohi, Takin; Woschko, Dennis; Ferber, Peter; Janiak, Christoph","Square planar vs. pyramidal copper(ii)-complexes with benzylal vs. naphthylal-based Schiff bases","RSC Advances","2025","15","23","18358","18371","10.1039/D5RA01982F","","x-ray","1.54184","CuKα","","0.0326","0.0307","","","0.0915","0.0929","","","","","","1.061","","","","has coordinates","299991","2025-06-06","01:37:34",""
"7250512","8.4841","0.0002","10.2724","0.0003","10.907","0.0002","104.192","0.002","107.674","0.002","111.408","0.003","772.33","0.05","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","Bis[(E)-2-(((2-benzoylphenyl)imino)methyl)phenolato-κ^2^N,O]copper(II)","","- C40 H28 Cu N2 O4 -","- C40 H28 Cu N2 O4 -","- C40 H28 Cu N2 O4 -","1","0.5","","Enamullah, Mohammed; Haque, Imdadul; Resma, Amina Khan; Abdullah, Galib; Uddin, Md. Najem; Haj Hassani Sohi, Takin; Woschko, Dennis; Ferber, Peter; Janiak, Christoph","Square planar vs. pyramidal copper(ii)-complexes with benzylal vs. naphthylal-based Schiff bases","RSC Advances","2025","15","23","18358","18371","10.1039/D5RA01982F","","","1.54184","CuKα","","0.0372","0.0352","","","0.0877","0.0896","","","","","","1.086","","","","has coordinates","299991","2025-06-06","01:37:35",""
"7250513","7.346","0.0002","10.755","0.0003","10.8277","0.0003","73.188","0.002","88.452","0.002","82.982","0.002","812.73","0.04","220","0.1","220","0.1","","","","","","","","5","P -1","-P 1","2","(E)-2-(((2-benzoyl-5-chlorophenyl)imino)methyl)phenol","(E)-(5-chloro-2-((2-hydroxybenzylidene)amino)phenyl)(phenyl)methanone","","- C20 H14 Cl N O2 -","- C20 H14 Cl N O2 -","- C40 H28 Cl2 N2 O4 -","2","1","","Enamullah, Mohammed; Haque, Imdadul; Resma, Amina Khan; Abdullah, Galib; Uddin, Md. Najem; Haj Hassani Sohi, Takin; Woschko, Dennis; Ferber, Peter; Janiak, Christoph","Square planar vs. pyramidal copper(ii)-complexes with benzylal vs. naphthylal-based Schiff bases","RSC Advances","2025","15","23","18358","18371","10.1039/D5RA01982F","","x-ray","1.54184","CuKα","","0.0425","0.0343","","","0.0893","0.0934","","","","","","1.054","","","","has coordinates","299991","2025-06-06","01:37:35",""
"7250514","7.5166","0.0001","16.8538","0.0002","28.8531","0.0004","90","","90","","90","","3655.21","0.08","251","70","251","70","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(E)-1-(((2-benzoyl-5-chlorophenyl)imino)methyl)naphthalen-2-ol","(E)-(5-chloro-2-(((2-hydroxynaphthalen-1-yl)methylene)amino)phenyl)-(phenyl)methanone","","- C24 H16 Cl N O2 -","- C24 H16 Cl N O2 -","- C192 H128 Cl8 N8 O16 -","8","2","","Enamullah, Mohammed; Haque, Imdadul; Resma, Amina Khan; Abdullah, Galib; Uddin, Md. Najem; Haj Hassani Sohi, Takin; Woschko, Dennis; Ferber, Peter; Janiak, Christoph","Square planar vs. pyramidal copper(ii)-complexes with benzylal vs. naphthylal-based Schiff bases","RSC Advances","2025","15","23","18358","18371","10.1039/D5RA01982F","","x-ray","1.54184","CuKα","","0.0347","0.0323","","","0.0846","0.0864","","","","","","1.055","","","","has coordinates","299991","2025-06-06","01:37:36",""
"7250515","6.8591","0.0001","11.0368","0.0004","11.7919","0.0004","93.795","0.003","92.677","0.002","105.124","0.002","857.97","0.05","160","0.3","160","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O4 S2 -","- C19 H14 N2 O4 S2 -","- C38 H28 N4 O8 S4 -","2","1","","Zagorskytė, Inesa; Arbačiauskienė, Eglė; Račkauskienė, Greta; Belyakov, Sergey; Bieliauskas, Aurimas; Rollin, Patrick; Šačkus, Algirdas","A new synthetic approach to the 3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole system from ethyl 1H-indole-2-carboxylates and activated glycerol carbonate","RSC Advances","2025","15","24","18947","18970","10.1039/D5RA02996A","","x-ray","1.54184","CuKα","","0.0704","0.0682","","","0.1924","0.1933","","","","","","1.0381","","","","has coordinates","299992","2025-06-06","01:38:16",""
"7250516","30.9767","0.0006","6.3602","0.0002","4.9575","0.0001","90","","90","","90","","976.72","0.04","160","0.1","160","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Zagorskytė, Inesa; Arbačiauskienė, Eglė; Račkauskienė, Greta; Belyakov, Sergey; Bieliauskas, Aurimas; Rollin, Patrick; Šačkus, Algirdas","A new synthetic approach to the 3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole system from ethyl 1H-indole-2-carboxylates and activated glycerol carbonate","RSC Advances","2025","15","24","18947","18970","10.1039/D5RA02996A","","x-ray","1.54184","CuKα","","0.0434","0.0421","","","0.113","0.1142","","","","","","1.0612","","","","has coordinates","299992","2025-06-06","01:38:17",""
"7250517","19.8196","0.0002","6.2682","0.0001","13.2167","0.0002","90","","109.059","0.001","90","","1551.95","0.04","298.01","0.1","298.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H7 N O4 Se -","- C5 H7 N O4 Se -","- C40 H56 N8 O32 Se8 -","8","1","","Beccaria, Roberta; Pizzi, Andrea; Chakalov, Edem R.; Resnati, Giuseppe; Tolstoy, Peter","Proton Delocalization in Short Hydrogen Bonds Assembling HSeO4– Anions into Supramolecular Adducts","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01211B","","x-ray","1.54184","CuKα","","0.0279","0.0268","","","0.0761","0.0768","","","","","","1.124","","","","has coordinates","300009","2025-06-07","01:08:05",""
"7250518","18.0562","0.0002","5.15783","0.00005","16.9795","0.0002","90","","115.277","0.0014","90","","1429.91","0.03","298.01","0.1","298.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H6 N O4 Se -","- C5 H6 N O4 Se -","- C40 H48 N8 O32 Se8 -","8","1","","Beccaria, Roberta; Pizzi, Andrea; Chakalov, Edem R.; Resnati, Giuseppe; Tolstoy, Peter","Proton Delocalization in Short Hydrogen Bonds Assembling HSeO4– Anions into Supramolecular Adducts","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01211B","","x-ray","1.54184","CuKα","","0.0218","0.0211","","","0.058","0.0585","","","","","","1.086","","","","has coordinates","300009","2025-06-07","01:08:06",""
"7250519","9.91309","0.00016","10.3638","0.0002","14.6046","0.0003","76.9481","0.0016","89.2209","0.0014","71.1833","0.0016","1380.7","0.05","298.4","0.2","298.4","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N3 O9 Se2 -","- C27 H27 N3 O9 Se2 -","- C54 H54 N6 O18 Se4 -","2","1","","Beccaria, Roberta; Pizzi, Andrea; Chakalov, Edem R.; Resnati, Giuseppe; Tolstoy, Peter","Proton Delocalization in Short Hydrogen Bonds Assembling HSeO4– Anions into Supramolecular Adducts","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01211B","","x-ray","1.54184","CuKα","","0.0363","0.0288","","","0.0745","0.0811","","","","","","1.02","","","","has coordinates","300009","2025-06-07","01:08:06",""
"7250520","15.70227","0.00009","10.12297","0.00005","16.96831","0.00009","90","","102.994","0.0006","90","","2628.11","0.03","299.19","0.1","299.19","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H44 N2 O9 Se2 -","- C18 H44 N2 O9 Se2 -","- C72 H176 N8 O36 Se8 -","4","1","","Beccaria, Roberta; Pizzi, Andrea; Chakalov, Edem R.; Resnati, Giuseppe; Tolstoy, Peter","Proton Delocalization in Short Hydrogen Bonds Assembling HSeO4– Anions into Supramolecular Adducts","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01211B","","x-ray","1.54184","CuKα","","0.0251","0.0236","","","0.061","0.0618","","","","","","1.038","","","","has coordinates","300009","2025-06-07","01:08:06",""
"7250521","19.6801","0.0004","6.2057","0.0001","13.0059","0.0002","90","","108.101","0.002","90","","1509.79","0.05","100.01","0.11","100.01","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H7 N O4 Se -","- C5 H7 N O4 Se -","- C40 H56 N8 O32 Se8 -","8","1","","Beccaria, Roberta; Pizzi, Andrea; Chakalov, Edem R.; Resnati, Giuseppe; Tolstoy, Peter","Proton Delocalization in Short Hydrogen Bonds Assembling HSeO4– Anions into Supramolecular Adducts","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01211B","","x-ray","1.54184","CuKα","","0.0295","0.0282","","","0.0793","0.0806","","","","","","1.107","","","","has coordinates","300009","2025-06-07","01:08:06",""
"7250522","16.7423","0.0002","5.11409","0.00007","18.4872","0.0003","90","","118.292","0.0019","90","","1393.81","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H6 N O4 Se -","- C5 H6 N O4 Se -","- C40 H48 N8 O32 Se8 -","8","1","","Beccaria, Roberta; Pizzi, Andrea; Chakalov, Edem R.; Resnati, Giuseppe; Tolstoy, Peter","Proton Delocalization in Short Hydrogen Bonds Assembling HSeO4– Anions into Supramolecular Adducts","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01211B","","x-ray","1.54184","CuKα","","0.0193","0.019","","","0.0514","0.0516","","","","","","1.089","","","","has coordinates","300009","2025-06-07","01:08:07",""
"7250523","15.5015","0.0001","10.08722","0.00006","16.80632","0.00011","90","","102.767","0.0006","90","","2562.98","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H44 N2 O9 Se2 -","- C18 H44 N2 O9 Se2 -","- C72 H176 N8 O36 Se8 -","4","1","","Beccaria, Roberta; Pizzi, Andrea; Chakalov, Edem R.; Resnati, Giuseppe; Tolstoy, Peter","Proton Delocalization in Short Hydrogen Bonds Assembling HSeO4– Anions into Supramolecular Adducts","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01211B","","x-ray","1.54184","CuKα","","0.0247","0.0225","","","0.0567","0.0579","","","","","","1.057","","","","has coordinates","300009","2025-06-07","01:08:07",""
"7250524","21.235","0.005","19.69","0.002","14.657","0.003","90","","97.922","0.015","90","","6070","2","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 Cl4 Co N3 O4 -","- C29 H32 Cl4 Co N3 O4 -","- C232 H256 Cl32 Co8 N24 O32 -","8","1","","Sundaresan, Sriram; Müller, Julia; Carrella, Luca M.; Rentschler, Eva","Elucidating substituent effects in magnetic properties of redox active cobalt complexes and testing them as potential catalysts for HER","RSC Advances","2025","15","24","19287","19294","10.1039/D5RA01958C","","x-ray","0.71073","MoKα","","0.0699","0.0506","","","0.1189","0.1322","","","","","","1.067","","","","has coordinates","300010","2025-06-07","01:30:38",""
"7250525","11.0407","0.0006","11.0875","0.0006","24.7624","0.0015","92.046","0.005","99.904","0.005","102.261","0.004","2909.7","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H78 Co2 N4 O9 -","- C64 H78 Co2 N4 O9 -","- C128 H156 Co4 N8 O18 -","2","1","","Sundaresan, Sriram; Müller, Julia; Carrella, Luca M.; Rentschler, Eva","Elucidating substituent effects in magnetic properties of redox active cobalt complexes and testing them as potential catalysts for HER","RSC Advances","2025","15","24","19287","19294","10.1039/D5RA01958C","","","0.71073","MoKα","","0.1007","0.0541","","","0.1011","0.1181","","","","","","1.042","","","","has coordinates","300010","2025-06-07","01:30:40",""
"7250526","14.9353","0.0005","9.6277","0.00022","21.1281","0.0008","90","","98.844","0.003","90","","3001.94","0.17","120","","120","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C29 H32 Br4 Co N3 O4 -","- C29 H32 Br4 Co N3 O4 -","- C116 H128 Br16 Co4 N12 O16 -","4","1","","Sundaresan, Sriram; Müller, Julia; Carrella, Luca M.; Rentschler, Eva","Elucidating substituent effects in magnetic properties of redox active cobalt complexes and testing them as potential catalysts for HER","RSC Advances","2025","15","24","19287","19294","10.1039/D5RA01958C","","","0.71073","MoKα","","0.0591","0.0439","","","0.1064","0.1153","","","","","","1.072","","","","has coordinates","300010","2025-06-07","01:30:46",""
"7250527","7.54622","0.00004","25.77176","0.00017","13.72571","0.00007","90","","94.0002","0.0005","90","","2662.86","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Cl Dy N5 O5 -","- C25 H25 Cl Dy N5 O5 -","- C100 H100 Cl4 Dy4 N20 O20 -","4","1","","Ahmed, Naushad; Nabi, Rizwan; Zhang, Xiaoguang; Darensbourg, Donald J.","Ladder-type 1D coordination polymer of Dy(iii): synthesis and investigation of magnetic behaviour","CrystEngComm","2025","27","26","4508","4515","10.1039/D5CE00491H","","","1.54184","CuKα","","0.0264","0.0256","","","0.0672","0.0677","","","","","","1.108","","","","has coordinates","300688","2025-07-06","14:57:56",""
"7250528","11.7255","0.0013","14.4835","0.0016","13.8775","0.0015","90","","99.984","0.003","90","","2321.1","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 O4 Zn -","- C22 H28 N2 O4 Zn -","- C88 H112 N8 O16 Zn4 -","4","1","","Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds","CrystEngComm","2025","27","30","5104","5125","10.1039/D5CE00304K","","","0.71073","MoKα","","0.0653","0.0457","","","0.1232","0.1354","","","","","","1.118","","","","has coordinates","301570","2025-08-05","21:35:22",""
"7250529","21.993","0.002","10.4162","0.001","18.6268","0.0019","90","","90","","90","","4267.1","0.7","273","2","273","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C40 H44 Cl4 N4 O9 Zn2 -","- C40 H44 Cl4 N4 O9 Zn2 -","- C160 H176 Cl16 N16 O36 Zn8 -","4","0.5","","Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds","CrystEngComm","2025","27","30","5104","5125","10.1039/D5CE00304K","","","0.71073","MoKα","","0.0793","0.0464","","","0.1025","0.126","","","","","","1.071","","","","has coordinates","301570","2025-08-05","21:35:23",""
"7250530","27.2641","0.0008","9.4294","0.0003","17.5738","0.0005","90","","123.972","0.001","90","","3746.8","0.2","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cl4 N4 O8 Zn2 -","- C36 H36 Cl4 N4 O8 Zn2 -","- C144 H144 Cl16 N16 O32 Zn8 -","4","0.5","","Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds","CrystEngComm","2025","27","30","5104","5125","10.1039/D5CE00304K","","","0.71073","MoKα","","0.0438","0.034","","","0.0852","0.0904","","","","","","1.041","","","","has coordinates","301570","2025-08-05","21:35:23",""
"7250531","7.3148","0.0005","12.0737","0.0008","17.2426","0.0012","88.103","0.002","82.599","0.002","87.794","0.002","1508.39","0.18","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H31 Cl4 N3 O5 Zn -","- C25 H31 Cl4 N3 O5 Zn -","- C50 H62 Cl8 N6 O10 Zn2 -","2","1","","Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds","CrystEngComm","2025","27","30","5104","5125","10.1039/D5CE00304K","","","0.71073","MoKα","","0.0507","0.0424","","","0.1284","0.1436","","","","","","1.117","","","","has coordinates,has disorder","301570","2025-08-05","21:35:23",""
"7250532","11.9713","0.0011","16.7097","0.0015","15.6498","0.0015","90","","98.033","0.003","90","","3099.8","0.5","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Cl4 N2 O7 S Zn -","- C24 H34 Cl4 N2 O7 S Zn -","- C96 H136 Cl16 N8 O28 S4 Zn4 -","4","1","","Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds","CrystEngComm","2025","27","30","5104","5125","10.1039/D5CE00304K","","","1.54178","CuKα","","0.0413","0.0412","","","0.1086","0.1087","","","","","","1.124","","","","has coordinates","301570","2025-08-05","21:35:23",""
"7250533","4.2781","0.0005","10.2684","0.0007","13.9473","0.001","104.65","0.006","92.096","0.007","90.875","0.007","592.19","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C26 H20 N4 O4 -","2","1","","Kumari, Lalita; Mittal, Rupali; Khurana, Mehak; Awasthi, Satish Kumar","Synthesis and structural analysis of a ZIF-9/GO composite for green catalytic C–C bond formation and N-formylation: a spectroscopic study","RSC Advances","2025","15","24","19500","19514","10.1039/D5RA02165K","","","0.71073","MoKα","","0.1372","0.0954","","","0.2469","0.2841","","","","","","0.967","","","","has coordinates","300027","2025-06-10","01:25:33",""
"7250534","3.7817","0.0003","13.1946","0.0008","6.9708","0.0005","90","","103.654","0.007","90","","338","0.04","100","0.3","100","0.3","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C7 H5 F2 N O -","- C7 H5 F2 N O -","- C14 H10 F4 N2 O2 -","2","1","","Kumari, Lalita; Mittal, Rupali; Khurana, Mehak; Awasthi, Satish Kumar","Synthesis and structural analysis of a ZIF-9/GO composite for green catalytic C–C bond formation and N-formylation: a spectroscopic study","RSC Advances","2025","15","24","19500","19514","10.1039/D5RA02165K","","x-ray","0.71073","MoKα","","0.0454","0.041","","","0.1146","0.1191","","","","","","0.909","","","","has coordinates","300027","2025-06-10","01:25:34",""
"7250535","5.6969","0.0002","18.5921","0.0008","7.4729","0.0003","90","","97.589","0.004","90","","784.58","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 N2 S -","- C8 H5 N2 S -","- C32 H20 N8 S4 -","4","1","","Kumari, Lalita; Mittal, Rupali; Khurana, Mehak; Awasthi, Satish Kumar","Synthesis and structural analysis of a ZIF-9/GO composite for green catalytic C–C bond formation and N-formylation: a spectroscopic study","RSC Advances","2025","15","24","19500","19514","10.1039/D5RA02165K","","x-ray","0.71073","MoKα","","0.0722","0.0562","","","0.1955","0.2105","","","","","","1.071","","","","has coordinates","300027","2025-06-10","01:25:34",""
"7250536","7.0444","0.0003","7.5521","0.0003","10.9795","0.0004","86.717","0.002","74.314","0.002","71.736","0.002","533.79","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cl N2 S -","- C11 H9 Cl N2 S -","- C22 H18 Cl2 N4 S2 -","2","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","x-ray","0.71073","MoKα","K-L~3~","0.047","0.0365","","","0.0781","0.0822","","","","","","1.076","","","","has coordinates","300712","2025-07-06","15:07:43",""
"7250537","21.894","0.004","5.8084","0.0009","11.885","0.002","90","","102.21","0.02","90","","1477.2","0.4","293.15","","293.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Si2 -","- C14 H22 Si2 -","- C56 H88 Si8 -","4","0.5","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","","1.54184","CuKα","","0.0444","0.0421","","","0.1248","0.1281","","","","","","1.083","","","","has coordinates","300712","2025-07-06","15:07:44",""
"7250538","28.278","0.002","6.1225","0.0004","20.5471","0.0016","90","","122.03","0.002","90","","3015.8","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 Cl N2 S -","- C15.003 H17.009 Cl N2 S -","- C120.024 H136.072 Cl8 N16 S8 -","8","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","x-ray","0.71073","MoKα","K-L~3~","0.056","0.0369","","","0.0818","0.0915","","","","","","1.049","","","","has coordinates,has disorder","300712","2025-07-06","15:07:44",""
"7250539","28.4963","0.0016","10.0575","0.0005","27.113","0.002","90","","118.632","0.002","90","","6820.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H11 Eu N3 O11 -","- C23 H11 Eu N3 O11 -","- C184 H88 Eu8 N24 O88 -","8","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","","0.71073","MoKα","","0.0454","0.0375","","","0.0947","0.0975","","","","","","1.086","","","","has coordinates,has disorder","300712","2025-07-06","15:07:44",""
"7250540","6.0518","0.0001","7.0245","0.0002","13.5533","0.0003","88.682","0.001","80.727","0.001","74.433","0.001","547.65","0.02","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H8 Cl F N2 S -","- C11 H8 Cl F N2 S -","- C22 H16 Cl2 F2 N4 S2 -","2","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","x-ray","0.71073","MoKα","K-L~3~","0.0305","0.0267","","","0.0678","0.0704","","","","","","1.111","","","","has coordinates","300712","2025-07-06","15:07:44",""
"7250541","8.6332","0.0005","6.0348","0.0003","46.857","0.003","90","","90","","90","","2441.2","0.2","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H11 Cl N2 O S -","- C12 H11 Cl N2 O S -","- C96 H88 Cl8 N16 O8 S8 -","8","2","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","x-ray","0.71073","MoKα","K-L~3~","0.0547","0.0446","","","0.0822","0.0854","","","","","","1.138","","","","has coordinates","300712","2025-07-06","15:07:44",""
"7250542","28.4888","0.0014","10.0261","0.0004","27.1521","0.0013","90","","118.885","0.002","90","","6790.6","0.6","298.04","","298.04","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H13 N3 O11 Tb -","- C23 H11 N3 O11 Tb -","- C184 H88 N24 O88 Tb8 -","8","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","","0.71073","MoKα","","0.0536","0.039","","","0.0948","0.1001","","","","","","1.08","","","","has coordinates","300712","2025-07-06","15:07:44",""
"7250543","15.1462","0.0009","9.073","0.0005","10.1184","0.0006","90","","90.108","0.002","90","","1390.48","0.14","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cl N3 O2 S -","- C11 H16 Cl N3 O2 S -","- C44 H64 Cl4 N12 O8 S4 -","4","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","x-ray","0.71073","MoKα","K-L~3~","0.0523","0.0403","","","0.0713","0.0765","","","","","","1.143","","","","has coordinates","300712","2025-07-06","15:07:44",""
"7250544","7.4398","0.0003","8.2528","0.0003","9.8182","0.0004","73.462","0.002","77.946","0.002","82.09","0.002","563.18","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H9 Cl N2 O S -","- C11 H9 Cl N2 O S -","- C22 H18 Cl2 N4 O2 S2 -","2","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","x-ray","0.71073","MoKα","K-L~3~","0.0349","0.0295","","","0.0632","0.0661","","","","","","1.095","","","","has coordinates","300712","2025-07-06","15:07:44",""
"7250545","7.4241","0.0002","9.5025","0.0003","12.4352","0.0004","92.472","0.003","92.34","0.003","95.168","0.003","872.01","0.05","119.98","0.13","119.98","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Ag N7 O3 -","- C16 H18 Ag N7 O3 -","- C32 H36 Ag2 N14 O6 -","2","1","","Climova, Alina; Pivovarova, Ekaterina; Szczesio, Małgorzata; Gobis, Katarzyna; Korga-Plewko, Agnieszka; Iwan, Magdalena; Kordialik-Bogacka, Edyta; Ścieszka, Sylwia; Marek, Jaromir; Czylkowska, Agnieszka","Synthesis of new Ag(i) and Cd(ii) hydrozanomide-based complexes with antibacterial and anticancer properties","RSC Advances","2025","15","25","19598","19609","10.1039/D5RA02001H","","","0.71073","MoKα","","0.0793","0.0554","","","0.106","0.1146","","","","","","1.101","","","","has coordinates","300047","2025-06-11","01:27:48",""
"7250546","11.6968","0.0002","16.4562","0.0002","18.2059","0.0003","90","","92.669","0.001","90","","3500.56","0.09","100.01","0.1","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Ag N13 O7 -","- C34 H36 Ag N13 O7 -","- C136 H144 Ag4 N52 O28 -","4","1","","Climova, Alina; Pivovarova, Ekaterina; Szczesio, Małgorzata; Gobis, Katarzyna; Korga-Plewko, Agnieszka; Iwan, Magdalena; Kordialik-Bogacka, Edyta; Ścieszka, Sylwia; Marek, Jaromir; Czylkowska, Agnieszka","Synthesis of new Ag(i) and Cd(ii) hydrozanomide-based complexes with antibacterial and anticancer properties","RSC Advances","2025","15","25","19598","19609","10.1039/D5RA02001H","","","0.71073","MoKα","","0.0403","0.029","","","0.0638","0.0669","","","","","","1.021","","","","has coordinates","300047","2025-06-11","01:27:49",""
"7250547","10.1448","0.0003","15.7992","0.0004","22.586","0.0006","90","","96.966","0.003","90","","3593.36","0.17","99.97","0.18","99.97","0.18","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 Au F3 N4 -","- C38 H44 Au F3 N4 -","- C152 H176 Au4 F12 N16 -","4","1","","Brannan, Alexander C.; Phuoc, Nguyen Le; Linnolahti, Mikko; Romanov, Alexander S.","Deep-Blue Thermally Activated Delayed Fluorescence from a CF3-substituted Carbene-Metal-Amide Complex","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP00824G","","x-ray","1.54184","CuKα","","0.0782","0.0731","","","0.1528","0.1553","","","","","","1.14","","","","has coordinates","300055","2025-06-12","01:06:36",""
"7250548","23.813","0.0004","5.4295","0.0001","11.1728","0.0002","90","","94.196","0.002","90","","1440.69","0.04","110","0.1","110","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 F13 N2 -","- C11 H7 F13 N2 -","- C44 H28 F52 N8 -","4","1","","Lai, Joshua; Gladden-Bennett, Evelyn F.; Shimizu, Karina; Elstone, Naomi; Tanner, Theo; Demé, Bruno; Whitwood, Adrian Charles; Shimizu, Seishi; Lopes, José N.C; Slattery, John M.; Bruce, Duncan W.","To Mix or Not to Mix: Charge and Polarity Effects on Alkyl/Fluoroalkyl Compound Miscibility§","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01737H","","x-ray","1.54184","CuKα","","0.0437","0.0379","","","0.1015","0.1055","","","","","","1.058","","","","has coordinates","300056","2025-06-12","01:06:56",""
"7250549","30.1835","0.0005","5.5612","0.0001","10.3336","0.0002","90","","93.232","0.002","90","","1731.8","0.05","110","0.14","110","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F17 N2 -","- C13 H7 F17 N2 -","- C52 H28 F68 N8 -","4","1","","Lai, Joshua; Gladden-Bennett, Evelyn F.; Shimizu, Karina; Elstone, Naomi; Tanner, Theo; Demé, Bruno; Whitwood, Adrian Charles; Shimizu, Seishi; Lopes, José N.C; Slattery, John M.; Bruce, Duncan W.","To Mix or Not to Mix: Charge and Polarity Effects on Alkyl/Fluoroalkyl Compound Miscibility§","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01737H","","x-ray","1.54184","CuKα","","0.0832","0.0809","","","0.249","0.2506","","","","","","1.173","","","","has coordinates","300056","2025-06-12","01:06:57",""
"7250550","22.7381","0.0004","22.6517","0.0005","19.7113","0.0004","90","","90","","90","","10152.4","0.4","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44.5 H38.25 Co2 I4 N6 O9 -","- C44.5 H38.25 Co2 I4 N6 O9 -","- C356 H306 Co16 I32 N48 O72 -","8","1","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Abramov, Pavel A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A.","Strong halogen bonds with guest molecules in a Co(ii) 2,5-diiodoterephthalate metal–organic framework","CrystEngComm","2025","27","28","4863","4867","10.1039/D5CE00440C","","","0.71073","MoKα","","0.0749","0.0506","","","0.1305","0.1397","","","","","","1.06","","","","has coordinates,has disorder","301559","2025-08-05","21:32:05",""
"7250551","15.5617","0.0005","34.0855","0.0011","14.1496","0.0005","90","","90","","90","","7505.3","0.4","150","2","150","2","","","","","","","","6","P n c 2","P 2 -2bc","30","","","","- C22.5 H20.13 Co I2 N2.87 O4.87 -","- C22.5 H20.1333 Co I2 N2.86667 O4.86667 -","- C270 H241.6 Co12 I24 N34.4 O58.4 -","12","3","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Abramov, Pavel A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A.","Strong halogen bonds with guest molecules in a Co(ii) 2,5-diiodoterephthalate metal–organic framework","CrystEngComm","2025","27","28","4863","4867","10.1039/D5CE00440C","","","0.71073","MoKα","","0.1018","0.0773","","","0.155","0.1653","","","","","","1.113","","","","has coordinates,has disorder","301559","2025-08-05","21:32:05",""
"7250552","17.2248","0.0008","13.2729","0.0006","27.7992","0.001","90","","90.267","0.002","90","","6355.5","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H56.58 B F18 N11 O12.29 S6 -","- C45.9998 H56.58 B F17.9994 N10.9999 O12.2896 S5.9998 -","- C183.999 H226.32 B4 F71.9976 N43.9996 O49.1584 S23.9992 -","4","1","","Crowley, Margaret E.; Stachurski, Christopher D.; Davis, James H.; Zeller, Matthias; Merchant, Gabriel A.; Salter, E. A.; Wierzbicki, A.; O'Brien, Richard A.; Trulove, Paul C.; Durkin, David P.","Salts of boronium (+3) ions with unprecedented hydrolytic stability. Design, synthesis, single-crystal X-ray structures, electrochemistry, and thermophysical properties","RSC Advances","2025","15","25","19947","19953","10.1039/D5RA02301G","","","0.71073","MoKα","","0.0637","0.0503","","","0.1353","0.1461","","","","","","1.052","","","","has coordinates,has disorder","300066","2025-06-13","01:24:25",""
"7250553","12.8183","0.0004","15.0863","0.0004","18.2974","0.0006","108.533","0.002","91.68","0.002","105.476","0.002","3207.91","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H48 B F18 N11 O12 S6 -","- C42.0006 H48 B F18.0018 N11.0003 O12.0012 S6.0006 -","- C84.0012 H96 B2 F36.0036 N22.0006 O24.0024 S12.0012 -","2","1","","Crowley, Margaret E.; Stachurski, Christopher D.; Davis, James H.; Zeller, Matthias; Merchant, Gabriel A.; Salter, E. A.; Wierzbicki, A.; O'Brien, Richard A.; Trulove, Paul C.; Durkin, David P.","Salts of boronium (+3) ions with unprecedented hydrolytic stability. Design, synthesis, single-crystal X-ray structures, electrochemistry, and thermophysical properties","RSC Advances","2025","15","25","19947","19953","10.1039/D5RA02301G","","","1.54178","CuKα","","0.1081","0.0738","","","0.2009","0.2299","","","","","","1.046","","","","has coordinates,has disorder","300066","2025-06-13","01:24:27",""
"7250554","11.1886","0.0004","12.3411","0.0005","20.708","0.0009","104.968","0.002","96.406","0.002","100.585","0.002","2676.99","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H40 B F18 N11 O12 S6 -","- C34 H40 B F18 N11 O12 S6 -","- C68 H80 B2 F36 N22 O24 S12 -","2","1","","Crowley, Margaret E.; Stachurski, Christopher D.; Davis, James H.; Zeller, Matthias; Merchant, Gabriel A.; Salter, E. A.; Wierzbicki, A.; O'Brien, Richard A.; Trulove, Paul C.; Durkin, David P.","Salts of boronium (+3) ions with unprecedented hydrolytic stability. Design, synthesis, single-crystal X-ray structures, electrochemistry, and thermophysical properties","RSC Advances","2025","15","25","19947","19953","10.1039/D5RA02301G","","","0.71073","MoKα","","0.1068","0.0443","","","0.106","0.1218","","","","","","1.036","","","","has coordinates,has disorder","300066","2025-06-13","01:24:27",""
"7250555","13.3318","0.0005","29.6715","0.0011","17.2747","0.0007","90","","110.925","0.001","90","","6382.8","0.4","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C50 H56 B F18 N11 O12 S6 -","- C49.998 H56 B F17.994 N10.999 O11.996 S5.998 -","- C199.992 H224 B4 F71.976 N43.996 O47.984 S23.992 -","4","1","","Crowley, Margaret E.; Stachurski, Christopher D.; Davis, James H.; Zeller, Matthias; Merchant, Gabriel A.; Salter, E. A.; Wierzbicki, A.; O'Brien, Richard A.; Trulove, Paul C.; Durkin, David P.","Salts of boronium (+3) ions with unprecedented hydrolytic stability. Design, synthesis, single-crystal X-ray structures, electrochemistry, and thermophysical properties","RSC Advances","2025","15","25","19947","19953","10.1039/D5RA02301G","","","0.71073","MoKα","","0.0378","0.0328","","","0.0856","0.0896","","","","","","1.018","","","","has coordinates,has disorder","300066","2025-06-13","01:24:28",""
"7250556","12.293","0.013","14.761","0.016","14.809","0.016","115.58","0.02","109.27","0.02","97.28","0.02","2171","4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Cu Mo4 N4 O21 -","- C36 H28 Cu Mo4 N4 O17 -","- C72 H56 Cu2 Mo8 N8 O34 -","2","1","","Zhang, Guang-yang; Sun, Ying; Zhang, Zhong; Wang, Xiu-li","Modulating central metals in 2D POMOFs for enhanced photocatalytic reduction of Cr(vi), oxidation of CEES and decolorization of MB","CrystEngComm","2025","27","26","4547","4554","10.1039/D5CE00354G","","","0.71073","MoKα","","0.1937","0.0793","","","0.1558","0.1769","","","","","","0.969","","","","has coordinates","300689","2025-07-06","14:58:10",""
"7250557","12.5568","0.0007","14.1024","0.0008","15.0205","0.0008","62.37","0.001","67.445","0.001","70.213","0.001","2133.9","0.2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Mo4 N4 O19 Zn -","- C36 H32 Mo4 N4 O19 Zn -","- C72 H64 Mo8 N8 O38 Zn2 -","2","1","","Zhang, Guang-yang; Sun, Ying; Zhang, Zhong; Wang, Xiu-li","Modulating central metals in 2D POMOFs for enhanced photocatalytic reduction of Cr(vi), oxidation of CEES and decolorization of MB","CrystEngComm","2025","27","26","4547","4554","10.1039/D5CE00354G","","","0.71073","MoKα","","0.0384","0.0313","","","0.0901","0.0946","","","","","","1.048","","","","has coordinates,has disorder","300689","2025-07-06","14:58:19",""
"7250558","12.6641","0.0008","14.0351","0.0009","14.9858","0.001","62.904","0.001","67.23","0.001","69.827","0.001","2139.9","0.2","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Fe Mo4 N4 O19 -","- C36 H32 Fe Mo4 N4 O19 -","- C72 H64 Fe2 Mo8 N8 O38 -","2","1","","Zhang, Guang-yang; Sun, Ying; Zhang, Zhong; Wang, Xiu-li","Modulating central metals in 2D POMOFs for enhanced photocatalytic reduction of Cr(vi), oxidation of CEES and decolorization of MB","CrystEngComm","2025","27","26","4547","4554","10.1039/D5CE00354G","","","0.71073","MoKα","","0.0479","0.0312","","","0.0668","0.073","","","","","","1.016","","","","has coordinates","300689","2025-07-06","14:58:19",""
"7250559","9.2974","0.0002","10.0625","0.0002","15.8641","0.0004","76.4892","0.0019","82.2856","0.0018","71.4025","0.0019","1364.86","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Cl O S -","- C15 H15 Cl O S -","- C60 H60 Cl4 O4 S4 -","4","2","","Gu, Jiayi; Xin, Meixiu; Cheng, Zhuo; Zou, Zhiru; Du, Zhibo; Cheng, Xinyi; Wang, Yan; Zou, Yong","Anti-Markovnikov hydrosulfenylation of unactivated alkenes/alkynes via visible-light organic photocatalysis","Green Chemistry","2025","27","26","7763","7770","10.1039/D5GC02604K","","x-ray","1.54184","CuKα","","0.0438","0.0417","","","0.1215","0.1235","","","","","","1.085","","","","has coordinates","301001","2025-07-06","17:19:40",""
"7250560","21.0767","0.0009","9.2205","0.0004","9.3765","0.0003","90","","95.69","0.004","90","","1813.23","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F6 O2 S -","- C18 H16 F6 O2 S -","- C72 H64 F24 O8 S4 -","4","1","","Gu, Jiayi; Xin, Meixiu; Cheng, Zhuo; Zou, Zhiru; Du, Zhibo; Cheng, Xinyi; Wang, Yan; Zou, Yong","Anti-Markovnikov hydrosulfenylation of unactivated alkenes/alkynes via visible-light organic photocatalysis","Green Chemistry","2025","27","26","7763","7770","10.1039/D5GC02604K","","x-ray","1.54184","CuKα","","0.1189","0.103","","","0.266","0.2803","","","","","","1.11","","","","has coordinates","301001","2025-07-06","17:19:40",""
"7250561","39.925","0.015","39.925","","39.925","","90","","90","","90","","63641","2","","","294.15","","","","100","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","PIZOF-2-PNA","","- C36 N3 O23.703 Zr1.5 -","- C36 N3 O23.7029 Zr1.5 -","- C1152 N96 O758.493 Zr48 -","32","0.166667","","Langlois, Kyle R.; Wang, Yangyang; Joshua, Fnu; Newsome, Wesley J.; Zhai, Lei; Harper, James K.; Uribe-Romo, Fernando J.","A multivariate library of zirconia metal–organic frameworks with dissolved p-nitroaniline dipoles and concentration-dependent optical and dielectric response","CrystEngComm","2025","27","26","4463","4469","10.1039/D5CE00299K","powder diffraction","x-ray","1.54051","CuKα~1,2~","","","","","","0.10086","","0.22439","","2.419","","","","","","","has coordinates","300687","2025-07-06","14:57:41",""
"7250562","16.031","0.003","6.9802","0.0014","9.3455","0.0019","90","","101.26","0.03","90","","1025.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H2 Cl2 O2 S3 -","- C8 H2 Cl2 O2 S3 -","- C32 H8 Cl8 O8 S12 -","4","0.5","","Liu, Huimin; Zhuang, Zeyan; Hou, Yawen; Zhu, Yujiao; Xu, Ruofeng; Chen, Bin; Hu, Rong; Zhao, Zujin","Oxidation reduces spin-orbital coupling to achieve robust fluorescent emission in halogen substituted dithieno[3,2-b:2′,3′-d]thiophene","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01121C","","","0.71073","MoKα","","0.0386","0.0353","","","0.0855","0.0874","","","","","","1.086","","","","has coordinates","300128","2025-06-19","01:22:13",""
"7250563","16.412","0.003","6.9676","0.0014","9.5683","0.0019","90","","99.34","0.03","90","","1079.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H2 Br2 O2 S3 -","- C8 H2 Br2 O2 S3 -","- C32 H8 Br8 O8 S12 -","4","0.5","","Liu, Huimin; Zhuang, Zeyan; Hou, Yawen; Zhu, Yujiao; Xu, Ruofeng; Chen, Bin; Hu, Rong; Zhao, Zujin","Oxidation reduces spin-orbital coupling to achieve robust fluorescent emission in halogen substituted dithieno[3,2-b:2′,3′-d]thiophene","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01121C","","","0.71073","MoKα","","0.0779","0.0525","","","0.1169","0.1686","","","","","","1.168","","","","has coordinates","300128","2025-06-19","01:22:15",""
"7250564","9.756","0.002","12.219","0.002","7.5175","0.0015","90","","102.31","0.03","90","","875.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2.29 H1.14 O0.57 S0.86 -","- C2.28571 H1.14286 O0.571429 S0.857143 -","- C32 H16 O8 S12 -","14","1.75","","Liu, Huimin; Zhuang, Zeyan; Hou, Yawen; Zhu, Yujiao; Xu, Ruofeng; Chen, Bin; Hu, Rong; Zhao, Zujin","Oxidation reduces spin-orbital coupling to achieve robust fluorescent emission in halogen substituted dithieno[3,2-b:2′,3′-d]thiophene","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01121C","","","0.71073","MoKα","","0.0354","0.0334","","","0.0936","0.0966","","","","","","1.09","","","","has coordinates","300128","2025-06-19","01:22:15",""
"7250565","18.519","0.004","4.9155","0.001","12.812","0.003","90","","90","","90","","1166.3","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C2.67 H0.67 I0.67 O0.67 S -","- C2.66667 H0.666667 I0.666667 O0.666667 S -","- C32 H8 I8 O8 S12 -","12","3","","Liu, Huimin; Zhuang, Zeyan; Hou, Yawen; Zhu, Yujiao; Xu, Ruofeng; Chen, Bin; Hu, Rong; Zhao, Zujin","Oxidation reduces spin-orbital coupling to achieve robust fluorescent emission in halogen substituted dithieno[3,2-b:2′,3′-d]thiophene","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01121C","","","0.71073","MoKα","","0.0615","0.0524","","","0.101","0.1135","","","","","","1.03","","","","has coordinates","300128","2025-06-19","01:22:15",""
"7250566","18.8209","0.0005","18.3643","0.0005","21.8306","0.0005","90","","90","","90","","7545.4","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H40 Au Cl N2 -","- C47 H40 Au Cl N2 -","- C376 H320 Au8 Cl8 N16 -","8","1","","Dewan, Sayari; Sonker, Himanshu; Chaudhary, Kajal; Singh, Ritika Gautam","Rational Design of Gold(I)-NHC Complexes as Anticancer Agents: Induction of Necroptosis and Paraptosis in Lung Adenocarcinoma","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00290G","","","0.71073","MoKα","","0.0424","0.0245","","","0.046","0.0542","","","","","","1.081","","","","has coordinates","300141","2025-06-20","00:13:00",""
"7250567","18.2277","0.0005","19.709","0.0005","20.7662","0.0006","90","","90","","90","","7460.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H40 Au Cl N2 -","- C47 H40 Au Cl N2 -","- C376 H320 Au8 Cl8 N16 -","8","1","","Dewan, Sayari; Sonker, Himanshu; Chaudhary, Kajal; Singh, Ritika Gautam","Rational Design of Gold(I)-NHC Complexes as Anticancer Agents: Induction of Necroptosis and Paraptosis in Lung Adenocarcinoma","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00290G","","","0.71073","MoKα","","0.0387","0.025","","","0.048","0.0517","","","","","","1.042","","","","has coordinates","300141","2025-06-20","00:13:05",""
"7250568","13.8388","0.0004","15.3932","0.0004","16.2823","0.0005","90","","103.867","0.001","90","","3367.42","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H34 Au Cl4 N2 -","- C37 H34 Au Cl4 N2 -","- C148 H136 Au4 Cl16 N8 -","4","1","","Dewan, Sayari; Sonker, Himanshu; Chaudhary, Kajal; Singh, Ritika Gautam","Rational Design of Gold(I)-NHC Complexes as Anticancer Agents: Induction of Necroptosis and Paraptosis in Lung Adenocarcinoma","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00290G","","","0.71073","MoKα","","0.0346","0.0274","","","0.0713","0.0745","","","","","","1.049","","","","has coordinates,has disorder","300141","2025-06-20","00:13:07",""
"7250569","20.9","0.003","19.148","0.004","18.831","0.003","90","","92.274","0.005","90","","7530","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H31 Au Cl2 N2 -","- C43 H31 Au Cl2 N2 -","- C344 H248 Au8 Cl16 N16 -","8","1","","Dewan, Sayari; Sonker, Himanshu; Chaudhary, Kajal; Singh, Ritika Gautam","Rational Design of Gold(I)-NHC Complexes as Anticancer Agents: Induction of Necroptosis and Paraptosis in Lung Adenocarcinoma","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00290G","","","0.71073","MoKα","","0.0382","0.0286","","","0.0608","0.0647","","","","","","1.0236","","","","has coordinates","300141","2025-06-20","00:13:07",""
"7250570","9.9536","0.0006","28.9081","0.0017","10.6554","0.0006","90","","109.24","0.003","90","","2894.7","0.3","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23.3 H28.6 Cl0.6 Fe I2 N5 O2.5 S -","- C23.3 H28.6 Cl0.6 Fe I2 N5 O2.5 S -","- C93.2 H114.4 Cl2.4 Fe4 I8 N20 O10 S4 -","4","1","","Ali, Basharat; Boonprab, Theerapoom; Thammasangwan, Warisa; Kaewmorakot, Sittipong; Karuwan, Chanpen; Tuantranont, Adisorn; Chastanet, Guillaume; Harding, David J.; Harding, Phimphaka","Influence of a spin crossover iron(iii) complex on the detection of phenylenediamines of graphene-modified screen printed electrodes","RSC Advances","2025","15","26","20760","20769","10.1039/D5RA00457H","","","0.71073","MoKα","","0.094","0.0418","","","0.0853","0.0987","","","","","","0.985","","","","has coordinates,has disorder","300143","2025-06-20","01:29:43",""
"7250571","9.5908","0.0004","9.5908","0.0004","15.7681","0.0008","90","","90","","120","","1256.09","0.1","293","","293","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C9 H15 Be2 F7 N6 -","- C9 H15 Be2 F7 N6 -","- C27 H45 Be6 F21 N18 -","3","0.166667","","Charkin, Dmitri O.; Ivanov, Semen A.; Kireev, Vadim E.; Gosteva, Alevtina N.; Kompanchenko, Alena A.; Banaru, Alexander M.; Stefanovich, Sergey Yu.; Tananaev, Ivan G.; Aksenov, Sergey M.","(C3H5N2)3[Be2F7]: the first imidazolium fluoroberyllate with a non-centrosymmetric structure based on linear tetrahedral [Be2F7]3− anions","CrystEngComm","2025","27","30","5184","5192","10.1039/D5CE00292C","","x-ray","0.71073","MoKα","","0.0227","0.0208","","","0.022","0.0223","","","","1.31","1.31","1.28","","","","has coordinates","301568","2025-08-05","21:34:40",""
"7250572","6.4947","0.0002","13.8436","0.0004","27.5171","0.0007","90","","90","","90","","2474.06","0.12","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-isopropyl-5-methyl cyclohexyl (11-vinylbenzo[c]phenanthren-3-yl)","","- C31 H32 O3 -","- C31 H32 O3 -","- C124 H128 O12 -","4","1","","Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L.","An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons","RSC Advances","2025","15","26","20935","20943","10.1039/D5RA02685G","","","1.54184","CuKα","","0.0524","0.0407","","","0.0883","0.0931","","","","","","1.045","","","","has coordinates","300151","2025-06-21","01:22:28",""
"7250573","11.2895","0.0001","6.4204","0.0001","13.5684","0.0002","90","","100.462","0.001","90","","967.13","0.02","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-bromonaphthalen-2-yl (2-isopropyl-5-methyl-cyclohexyl) carbonate","","- C21 H25 Br O3 -","- C21 H25 Br O3 -","- C42 H50 Br2 O6 -","2","1","","Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L.","An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons","RSC Advances","2025","15","26","20935","20943","10.1039/D5RA02685G","","","1.54184","CuKα","","0.0212","0.0209","","","0.0548","0.055","","","","","","1.033","","","","has coordinates","300151","2025-06-21","01:22:29",""
"7250574","11.6154","0.0002","6.2473","0.0001","13.6735","0.0003","90","","99.808","0.002","90","","977.71","0.03","200.15","","200.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-isopropyl-5-methyl-cyclohexyl (6-vinylnaphthalen-2-yl) carbonate","","- C23 H28 O3 -","- C23 H28 O3 -","- C46 H56 O6 -","2","1","","Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L.","An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons","RSC Advances","2025","15","26","20935","20943","10.1039/D5RA02685G","","","1.54184","CuKα","","0.0356","0.0319","","","0.0767","0.0788","","","","","","1.049","","","","has coordinates","300151","2025-06-21","01:22:30",""
"7250575","5.98182","0.00009","7.54889","0.00012","27.9195","0.0004","90","","93.2965","0.0011","90","","1258.65","0.03","200","0.3","200","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-6-(4-bromostyryl)-naphthalen-2-yl(2-isopropyl-5-methyl-cyclohexyl)carbonate","","- C29 H31 Br O3 -","- C29 H31 Br O3 -","- C58 H62 Br2 O6 -","2","1","","Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L.","An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons","RSC Advances","2025","15","26","20935","20943","10.1039/D5RA02685G","","x-ray","1.54184","CuKα","","0.0315","0.0287","","","0.073","0.074","","","","","","1.07","","","","has coordinates","300151","2025-06-21","01:22:30",""
"7250576","9.2662","0.0001","8.5188","0.0002","31.277","0.0004","90","","93.481","0.001","90","","2464.35","0.07","200","0.11","200","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","11-bromo-benzophenanthren-3-yl (2-isopropyl-5-methyl-cyclohexyl) carbonate","","- C58 H58 Br2 O6 -","- C58 H58 Br2 O6 -","- C116 H116 Br4 O12 -","2","1","","Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L.","An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons","RSC Advances","2025","15","26","20935","20943","10.1039/D5RA02685G","","x-ray","1.54184","CuKα","","0.0528","0.0407","","","0.1036","0.1102","","","","","","1.019","","","","has coordinates","300151","2025-06-21","01:22:30",""
"7250577","24.4751","0.001","14.97496","0.0001","30.655","0.0013","90","","151.936","0.012","90","","5286","2","200","2","200","2","","","","","","","","3","I 1 2 1","I 2y","5","","3, 3'- (bis-2-isopropyl-5-methylcyclohexyl) bis(carbonate) helicene","","- C68 H62 O6 -","- C68 H62 O6 -","- C272 H248 O24 -","4","1","","Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L.","An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons","RSC Advances","2025","15","26","20935","20943","10.1039/D5RA02685G","","","1.54184","CuKα","","0.0795","0.0774","","","0.2263","0.2301","","","","","","1.036","","","","has coordinates","300151","2025-06-21","01:22:30",""
"7250578","9.0381","0.0003","9.7302","0.0002","10.2613","0.0004","101.159","0.002","110.509","0.003","108.369","0.003","753.79","0.05","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N S -","- C19 H17 N S -","- C38 H34 N2 S2 -","2","1","","Yoshino, Riku; Kobayashi, Kazuki; Yang, Peiyuan; Fukumoto, Hiroki; Yasui, Motohiro; Yamada, Shigeyuki; Konno, Tsutomu; Morita, Masato","Engineering visible-to-ultraviolet emission switching of benzothiazole-based mechanoresponsive materials","CrystEngComm","2025","27","32","5398","5403","10.1039/D5CE00379B","","x-ray","0.71073","MoKα","","0.0375","0.0347","","","0.0945","0.0962","","","","","","1.091","","","","has coordinates","302568","2025-10-06","08:24:46",""
"7250579","17.7329","0.0007","18.9012","0.0004","37.568","0.0014","90","","119.535","0.005","90","","10955.5","0.8","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N S -","- C19 H17 N S -","- C532 H476 N28 S28 -","28","7","","Yoshino, Riku; Kobayashi, Kazuki; Yang, Peiyuan; Fukumoto, Hiroki; Yasui, Motohiro; Yamada, Shigeyuki; Konno, Tsutomu; Morita, Masato","Engineering visible-to-ultraviolet emission switching of benzothiazole-based mechanoresponsive materials","CrystEngComm","2025","27","32","5398","5403","10.1039/D5CE00379B","","x-ray","0.71073","MoKα","","0.1176","0.0697","","","0.1888","0.2249","","","","","","1.029","","","","has coordinates,has disorder","302568","2025-10-06","08:24:46",""
"7250580","11.378","0.002","8.0513","0.0015","19.674","0.004","90","","106.635","0.005","90","","1726.9","0.6","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br N O2 S -","- C18 H18 Br N O2 S -","- C72 H72 Br4 N4 O8 S4 -","4","1","","Bora, Surjya Kumar; Saikia, Anil K.","Selective synthesis of gem-dihalopiperidines and 4-halo-1,2,3,6-tetrahydropyridines from halogen substituted homoallylic benzenesulfonamides and aldehydes","RSC Advances","2025","15","27","21257","21268","10.1039/D5RA03630E","","","0.71073","MoKα","","0.0863","0.0493","","","0.1183","0.1373","","","","","","1.023","","","","has coordinates","300170","2025-06-24","01:27:47",""
"7250581","11.4025","0.0012","15.3012","0.0015","11.8426","0.0012","90","","112.487","0.004","90","","1909.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br2 Cl N O2 S -","- C18 H18 Br2 Cl N O2 S -","- C72 H72 Br8 Cl4 N4 O8 S4 -","4","1","","Bora, Surjya Kumar; Saikia, Anil K.","Selective synthesis of gem-dihalopiperidines and 4-halo-1,2,3,6-tetrahydropyridines from halogen substituted homoallylic benzenesulfonamides and aldehydes","RSC Advances","2025","15","27","21257","21268","10.1039/D5RA03630E","","","0.71073","MoKα","","0.0406","0.0299","","","0.0688","0.0726","","","","","","1.058","","","","has coordinates","300170","2025-06-24","01:27:51",""
"7250582","20.319","0.004","10.44","0.002","9.3782","0.0019","90","","100.424","0.006","90","","1956.6","0.7","295","2","295","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C19 H21 Br Cl N O2 S -","- C19 H21 Br Cl N O2 S -","- C76 H84 Br4 Cl4 N4 O8 S4 -","4","1","","Bora, Surjya Kumar; Saikia, Anil K.","Selective synthesis of gem-dihalopiperidines and 4-halo-1,2,3,6-tetrahydropyridines from halogen substituted homoallylic benzenesulfonamides and aldehydes","RSC Advances","2025","15","27","21257","21268","10.1039/D5RA03630E","","","0.71073","MoKα","","0.063","0.0515","","","0.1331","0.1418","","","","","","1.012","","","","has coordinates","300170","2025-06-24","01:27:52",""
"7250583","14.2545","0.0007","18.04","0.0008","30.3498","0.0014","91.749","0.003","96.795","0.003","100.827","0.003","7600.6","0.6","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C111 H109 Mn6 N15 O35 -","- C111 H109 Mn6 N15 O35 -","- C222 H218 Mn12 N30 O70 -","2","1","","Sun, Qing; Yang, Chen; Han, Shaoyang; Liu, Xin; Li, Meichao; Shen, Zhenlu","Construction of novel Mn-based metal–organic frameworks for regioselective cross-dehydrogenative coupling of coumarins and dimethylanilines","CrystEngComm","2025","27","29","4985","4991","10.1039/D5CE00478K","","x-ray","1.54178","CuKα","","0.1151","0.0986","","","0.2722","0.2907","","","","","","1.081","","","","has coordinates","301555","2025-08-05","21:31:07",""
"7250584","6.6","0.2","16.6","0.14","12.4","0.2","90","","100.1","0.9","90","","1337","5","100.15","","100.15","","","","","","","","","5","P 1 2/m 1","-P 2y","10","ZnTCPP","Zinc tetrakis(4-carboxyphenyl)porphyrin","","- C48 H28 N4 O10 Zn3 -","- C48 H28 N4 O10 Zn3 -","- C48 H28 N4 O10 Zn3 -","1","0.25","","Ibrahim, May R.; Alneyadi, Shaikha; Truong, Khai-Nghi; Maghraby, Hesham El-; Abdellah, Mohamed; El-Zohry, Ahmed M.; Wuttke, Stefan; Greish, Yaser","Design of a Zn-based porphyrin MOF biosensor for fluorometric detection of HER2 as a breast cancer biomarker","RSC Advances","2025","15","27","21479","21492","10.1039/D5RA01942G","","electron","0.0251","electron","","0.2286","0.1932","","","0.4314","0.4478","","","","","","1.979","","","","has coordinates","300183","2025-06-25","01:31:18",""
"7250585","7.8315","0.0003","8.8391","0.0003","12.7423","0.0005","90","","92.95","0.002","90","","880.9","0.06","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Cl N5 O5 -","- C4 H8 Cl N5 O5 -","- C16 H32 Cl4 N20 O20 -","4","1","","Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei","Constructing high-performance and insensitive energetic salts through increased hydrogen bonds","CrystEngComm","2025","27","29","4976","4984","10.1039/D5CE00504C","","","0.71073","MoKα","","0.0446","0.0372","","","0.0927","0.1005","","","","","","1.071","","","","has coordinates","301557","2025-08-05","21:31:31",""
"7250586","9.9288","0.0004","6.5054","0.0003","24.75","0.001","90","","90","","90","","1598.62","0.12","223","","223","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H8 N6 O4 -","- C4 H8 N6 O4 -","- C32 H64 N48 O32 -","8","1","","Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei","Constructing high-performance and insensitive energetic salts through increased hydrogen bonds","CrystEngComm","2025","27","29","4976","4984","10.1039/D5CE00504C","","","1.54178","CuKα","","0.0506","0.0444","","","0.1202","0.1246","","","","","","1.087","","","","has coordinates","301557","2025-08-05","21:31:32",""
"7250587","7.3547","0.0002","17.502","0.0004","8.7636","0.0002","90","","109.734","0.001","90","","1061.82","0.05","213","","213","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H8 N8 O7 -","- C5 H8 N8 O7 -","- C20 H32 N32 O28 -","4","1","","Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei","Constructing high-performance and insensitive energetic salts through increased hydrogen bonds","CrystEngComm","2025","27","29","4976","4984","10.1039/D5CE00504C","","","1.54178","CuKα","","0.0327","0.0311","","","0.0833","0.084","","","","","","1.076","","","","has coordinates","301557","2025-08-05","21:31:32",""
"7250588","11.5773","0.0008","6.4537","0.0005","12.635","0.0009","90","","117.101","0.002","90","","840.39","0.11","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 N5 O3 -","- C6 H11 N5 O3 -","- C24 H44 N20 O12 -","4","1","","Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei","Constructing high-performance and insensitive energetic salts through increased hydrogen bonds","CrystEngComm","2025","27","29","4976","4984","10.1039/D5CE00504C","","","0.71073","MoKα","","0.0821","0.0565","","","0.1345","0.1657","","","","","","1.039","","","","has coordinates","301557","2025-08-05","21:31:32",""
"7250589","12.937","0.0004","7.8904","0.0002","24.4181","0.0009","90","","104.462","0.004","90","","2413.57","0.14","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C6 H6 Fe N6 Na2 O3 -","- C6 H6 Fe N6 Na2 O3 -","- C48 H48 Fe8 N48 Na16 O24 -","8","1","","Lewis, Sam G.; Coulson, Ben A.; Harris, Kenneth D. M.; Warren, Anna J.; Warren, Mark R.; Hatcher, Lauren E.","Controlled microcrystallization for in situ photocrystallography: optimizing crystal size and habit","CrystEngComm","2025","27","29","4965","4975","10.1039/D5CE00367A","","x-ray","1.54184","CuKα","","0.0325","0.029","","","0.0856","0.0875","","","","","","1.044","","","","has coordinates","301556","2025-08-05","21:31:17",""
"7250590","5.7962","0.0003","9.4231","0.0004","13.7625","0.0006","90","","101.43","0.005","90","","736.77","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","0320-6","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C32 H46 N2 O6 -","2","1","","Chen, Jing; Chen, Xi; Song, Jinsong; Zhang, Hongliu; Yang, Hongjiang; Feng, Jinhui; Wu, Qiaqing; Zhu, Dunming","Enzymatic synthesis of four stereoisomers of 3-substituted-4-hydroxypiperidines by carbonyl reductase-catalyzed reduction","RSC Advances","2025","15","26","21133","21141","10.1039/D5RA02485D","","x-ray","1.54184","CuKα","","0.0383","0.0371","","","0.1044","0.1054","","","","","","1.133","","","","has coordinates","300241","2025-06-27","01:33:13",""
"7250591","5.5276","0.0002","22.2991","0.0008","12.726","0.0004","90","","90","","90","","1568.61","0.09","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1","","- C16 H22 F N O3 -","- C16 H22 F N O3 -","- C64 H88 F4 N4 O12 -","4","1","","Chen, Jing; Chen, Xi; Song, Jinsong; Zhang, Hongliu; Yang, Hongjiang; Feng, Jinhui; Wu, Qiaqing; Zhu, Dunming","Enzymatic synthesis of four stereoisomers of 3-substituted-4-hydroxypiperidines by carbonyl reductase-catalyzed reduction","RSC Advances","2025","15","26","21133","21141","10.1039/D5RA02485D","","x-ray","1.54184","CuKα","","0.0758","0.0655","","","0.1707","0.1783","","","","","","1.0474","","","","has coordinates","300241","2025-06-27","01:33:17",""
"7250592","6.08342","0.00006","12.36031","0.00013","21.0393","0.0002","90","","90","","90","","1582.01","0.03","99.9","0.4","99.9","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","15xia","","- C16 H22 F N O3 -","- C16 H22 F N O3 -","- C64 H88 F4 N4 O12 -","4","1","","Chen, Jing; Chen, Xi; Song, Jinsong; Zhang, Hongliu; Yang, Hongjiang; Feng, Jinhui; Wu, Qiaqing; Zhu, Dunming","Enzymatic synthesis of four stereoisomers of 3-substituted-4-hydroxypiperidines by carbonyl reductase-catalyzed reduction","RSC Advances","2025","15","26","21133","21141","10.1039/D5RA02485D","","x-ray","1.54184","CuKα","","0.0291","0.0278","","","0.0859","0.0877","","","","","","0.7816","","","","has coordinates","300241","2025-06-27","01:33:22",""
"7250593","6.0869","0.0001","12.398","0.0001","20.9757","0.0003","90","","90","","90","","1582.94","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","17","","- C16 H22 F N O3 -","- C16 H22 F N O3 -","- C64 H88 F4 N4 O12 -","4","1","","Chen, Jing; Chen, Xi; Song, Jinsong; Zhang, Hongliu; Yang, Hongjiang; Feng, Jinhui; Wu, Qiaqing; Zhu, Dunming","Enzymatic synthesis of four stereoisomers of 3-substituted-4-hydroxypiperidines by carbonyl reductase-catalyzed reduction","RSC Advances","2025","15","26","21133","21141","10.1039/D5RA02485D","","x-ray","1.54184","CuKα","","0.0306","0.0293","","","0.0778","0.0787","","","","","","1.0381","","","","has coordinates","300241","2025-06-27","01:33:23",""
"7250594","6.2527","0.0006","13.3719","0.001","18.7005","0.0015","90","","90","","90","","1563.6","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1","","- C16 H22 N O3 -","- C16 H22 N O3 -","- C64 H88 N4 O12 -","4","1","","Chen, Jing; Chen, Xi; Song, Jinsong; Zhang, Hongliu; Yang, Hongjiang; Feng, Jinhui; Wu, Qiaqing; Zhu, Dunming","Enzymatic synthesis of four stereoisomers of 3-substituted-4-hydroxypiperidines by carbonyl reductase-catalyzed reduction","RSC Advances","2025","15","26","21133","21141","10.1039/D5RA02485D","","x-ray","1.54184","CuKα","","0.0615","0.0481","","","0.1263","0.1359","","","","","","1.021","","","","has coordinates","300241","2025-06-27","01:33:32",""
"7250595","10.9888","0.0002","18.4115","0.0005","12.1884","0.0003","90","","109.374","0.001","90","","2326.32","0.1","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 N6 O5 -","- C54 H52 N6 O5 -","- C108 H104 N12 O10 -","2","0.5","","Zhang, Zhenwei; Zhang, Xiaoxue; Wang, Hao; Xie, Geyao; Zhou, Yu","Catalytic system-controlled divergent reactions of pyrazolidinones with 3-alkynyl-3-hydroxyisoindolinones to construct diversified nitrogen-containing heterocyclic scaffolds","RSC Advances","2025","15","27","21872","21878","10.1039/D5RA01992C","","","1.54178","CuKα","","0.1082","0.1021","","","0.2347","0.2371","","","","","","1.1","","","","has coordinates","300242","2025-06-27","01:35:18",""
"7250596","19.2491","0.0012","9.9787","0.0004","22.4268","0.0014","90","","90","","90","","4307.8","0.4","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H25 N3 O3 -","- C27 H25 N3 O3 -","- C216 H200 N24 O24 -","8","1","","Zhang, Zhenwei; Zhang, Xiaoxue; Wang, Hao; Xie, Geyao; Zhou, Yu","Catalytic system-controlled divergent reactions of pyrazolidinones with 3-alkynyl-3-hydroxyisoindolinones to construct diversified nitrogen-containing heterocyclic scaffolds","RSC Advances","2025","15","27","21872","21878","10.1039/D5RA01992C","","","1.54178","CuKα","","0.0941","0.059","","","0.1262","0.1477","","","","","","1.027","","","","has coordinates","300242","2025-06-27","01:35:21",""
"7250597","14.0724","0.0003","41.3599","0.001","16.7154","0.0004","90","","102.813","0.001","90","","9486.7","0.4","170","2","170","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C55 H48 Cl2 N6 O4 -","- C55 H48 Cl2 N6 O4 -","- C440 H384 Cl16 N48 O32 -","8","4","","Zhang, Zhenwei; Zhang, Xiaoxue; Wang, Hao; Xie, Geyao; Zhou, Yu","Catalytic system-controlled divergent reactions of pyrazolidinones with 3-alkynyl-3-hydroxyisoindolinones to construct diversified nitrogen-containing heterocyclic scaffolds","RSC Advances","2025","15","27","21872","21878","10.1039/D5RA01992C","","","1.54178","CuKα","","0.0686","0.0526","","","0.1388","0.1531","","","","","","1.024","","","","has coordinates","300242","2025-06-27","01:35:30",""
"7250598","6.8069","0.0015","18.566","0.005","20.81","0.004","90","","90","","90","","2629.9","1","173","","173","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","0.5","","Mirza, Yafia Kousin; Bera, Partha Sarathi; Nandini, R.; Talukdar, Dhrubajyoti; Mohite, Sachin Balaso; Mane, Manoj V.; Bera, Milan","Unlocking enhanced reactivity of hexafluoroisopropanol: a sustainable atom economical approach to selective cascade di-π-functionalization of allenamides","Green Chemistry","2025","27","29","8972","8979","10.1039/D5GC01273B","","","0.71073","MoKα","","0.0917","0.0668","","","0.1712","0.1867","","","","","","1.181","","","","has coordinates,has disorder","301607","2025-08-05","22:13:17",""
"7250599","11.3402","0.0001","23.0483","0.0001","8.6428","0.0001","90","","94.19","0.001","90","","2252.95","0.03","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 F6 O4 -","- C25 H22 F6 O4 -","- C100 H88 F24 O16 -","4","1","","Migliaccio, Analise C.; Weeks, Nathan J.; Iacono, Scott T.","Modularly prepared segmented fluorinated silicones and their anomalous microstructure dependent flow behavior.","RSC advances","2025","15","27","21429","21438","10.1039/d5ra03087k","","x-ray","1.54184","CuKα","","0.0317","0.0303","","","0.0767","0.0778","","","","","","1.028","","","","has coordinates,has disorder","300253","2025-06-28","01:26:57",""
"7250600","10.9496","0.0001","8.8262","0.0001","18.0438","0.0002","90","","106.697","0.001","90","","1670.29","0.03","104","6","104","6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 F12 O6 -","- C36 H26 F12 O6 -","- C72 H52 F24 O12 -","2","0.5","","Migliaccio, Analise C.; Weeks, Nathan J.; Iacono, Scott T.","Modularly prepared segmented fluorinated silicones and their anomalous microstructure dependent flow behavior.","RSC advances","2025","15","27","21429","21438","10.1039/d5ra03087k","","x-ray","1.54184","CuKα","","0.0356","0.0342","","","0.088","0.0892","","","","","","1.029","","","","has coordinates","300253","2025-06-28","01:26:57",""
"7250601","6.819","0.0008","14.7869","0.0015","14.7647","0.0015","90","","91.279","0.006","90","","1488.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F2 O4 S -","- C17 H12 F2 O4 S -","- C68 H48 F8 O16 S4 -","4","1","","Jiang, Boye; Zhang, Juan; Wang, Boning; Zhou, Airui; Zou, Yan; Meng, Qingguo; Zhao, Qingjie; Chai, Xiaoyun; Gai, Conghao","Carbamothioate-mediated Selectfluor™ oxidation for the synthesis of benzenesulfonyl fluorides in chalcone derivatives","RSC Advances","2025","15","27","22018","22022","10.1039/D5RA03427B","","","1.54178","CuKα","","0.1261","0.1209","","","0.3603","0.3626","","","","","","1.076","","","","has coordinates","300254","2025-06-28","01:27:14",""
"7250602","18.813","0.006","17.151","0.005","25.366","0.008","90","","104.339","0.013","90","","7930","4","273.15","","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 Cd3.99 N2 Na2 O44 -","- C52 H45.9996 Cd4 N2 Na2 O43.9998 -","- C208 H183.998 Cd16 N8 Na8 O175.999 -","4","0.5","","Xu, Ning; Zhou, Yulong; Shen, Yexin; Li, Rui; Zhang, Qinghua; Zhu, Xiandong","Structurally controllable Cd(ii)-based luminescent metal–organic frameworks for efficient detection of antibiotics in water","CrystEngComm","2025","27","30","5204","5212","10.1039/D5CE00250H","","","0.71073","MoKα","","0.0571","0.0517","","","0.16","0.1672","","","","","","1.066","","","","has coordinates,has disorder","301567","2025-08-05","21:34:31",""
"7250603","20.2245","0.001","24.9058","0.001","17.2568","0.0008","90","","90","","90","","8692.4","0.7","100","2","100.15","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C52 H66 Cd4 N2 O42 -","- C52 H65.9988 Cd4 N2 O41.9994 -","- C208 H263.995 Cd16 N8 O167.998 -","4","0.25","","Xu, Ning; Zhou, Yulong; Shen, Yexin; Li, Rui; Zhang, Qinghua; Zhu, Xiandong","Structurally controllable Cd(ii)-based luminescent metal–organic frameworks for efficient detection of antibiotics in water","CrystEngComm","2025","27","30","5204","5212","10.1039/D5CE00250H","","","0.71073","MoKα","","0.0785","0.0553","","","0.1436","0.1609","","","","","","1.099","","","","has coordinates,has disorder","301567","2025-08-05","21:34:31",""
"7250604","23.8084","0.0004","4.6171","0.0001","11.0799","0.0002","90","","92.314","0.002","90","","1216.97","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Guan, Yu; Wang, Bin; Ying, Yan-Ling; Li, Ping; Zhang, Zhan-Hui","Copper(i) anchored on a covalent triazine framework/ionic liquid as a recyclable catalytic system for cyclization of propargylic amines with CO2 under ambient conditions","Green Chemistry","2025","27","30","9165","9177","10.1039/D5GC02137E","","x-ray","1.54184","CuKα","","0.0472","0.0429","","","0.12","0.1249","","","","","","1.052","","","","has coordinates","301609","2025-08-05","22:13:39",""
"7250605","4.5534","0.0005","11.8134","0.001","12.2013","0.0009","81.384","0.007","88.616","0.007","81.965","0.008","642.54","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N16 O10 -","- C18 H22 N16 O10 -","- C18 H22 N16 O10 -","1","0.5","","Zhang, Xing; Pan, Linhu; Li, Min; Jing, Jianquan; Xia, Honglei; Zhang, Qinghua","Constructing insensitive heat-resistant energetic materials via hydrazo bridge mediated resonance-assisted hydrogen bonds","CrystEngComm","2025","27","29","5021","5029","10.1039/D5CE00494B","","","1.54178","CuKα","","0.1354","0.074","","","0.153","0.1774","","","","","","1.054","","","","has coordinates","301554","2025-08-05","21:30:55",""
"7250606","14.5415","0.0014","7.0417","0.0006","19.3451","0.0016","90","","90","","90","","1980.9","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","","Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R.","H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures","CrystEngComm","2025","27","30","5162","5172","10.1039/D5CE00492F","","x-ray","0.71073","MoKα","","0.0826","0.0592","","","0.1167","0.1279","","","","","","1.097","","","","has coordinates","301571","2025-08-05","21:35:45",""
"7250607","11.3436","0.0006","8.3777","0.0004","20.5336","0.0011","90","","90","","90","","1951.38","0.17","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H7 F N2 O3 -","- C10 H7 F N2 O3 -","- C80 H56 F8 N16 O24 -","8","1","","Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R.","H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures","CrystEngComm","2025","27","30","5162","5172","10.1039/D5CE00492F","","x-ray","0.71073","MoKα","","0.0645","0.0445","","","0.0891","0.0979","","","","","","1.069","","","","has coordinates","301571","2025-08-05","21:35:47",""
"7250608","14.8617","0.0014","6.9928","0.0008","19.4887","0.0014","90","","90","","90","","2025.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 F N2 O3 -","- C10 H9 F N2 O3 -","- C80 H72 F8 N16 O24 -","8","1","","Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R.","H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures","CrystEngComm","2025","27","30","5162","5172","10.1039/D5CE00492F","","x-ray","0.71073","MoKα","","0.0852","0.0607","","","0.1205","0.133","","","","","","1.058","","","","has coordinates","301571","2025-08-05","21:35:56",""
"7250609","41.5257","0.0016","12.188","0.0005","7.6472","0.0004","90","","90.053","0.004","90","","3870.4","0.3","288","19","288","19","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C160 H160 N32 O48 -","16","4","","Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R.","H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures","CrystEngComm","2025","27","30","5162","5172","10.1039/D5CE00492F","","x-ray","1.54184","CuKα","","0.1703","0.1195","","","0.2992","0.3429","","","","","","1.094","","","","has coordinates","301571","2025-08-05","21:35:57",""
"7250610","19.8269","0.0013","5.3804","0.0004","9.1694","0.0007","90","","96.462","0.007","90","","971.95","0.12","296","0.9","296","0.9","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H16 N4 O6 -","- C20 H16 N4 O6 -","- C40 H32 N8 O12 -","2","0.5","","Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R.","H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures","CrystEngComm","2025","27","30","5162","5172","10.1039/D5CE00492F","","x-ray","1.54184","CuKα","","0.0942","0.0823","","","0.2312","0.2494","","","","","","1.07","","","","has coordinates","301571","2025-08-05","21:35:58",""
"7250611","10.1022","0.0005","10.2035","0.0004","11.395","0.0006","99.416","0.002","99.647","0.002","119.113","0.001","969.83","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Cd N2 O7 -","- C21 H18 Cd N2 O7 -","- C42 H36 Cd2 N4 O14 -","2","1","","Yuan, Nana; Cao, Jia; Ren, Yixia; Hou, Xiufang; Chen, Sanping","Dual enabling photomediated Knoevenagel condensation and alkene perfluoroalkylation reactions by a photoresponsive cadmium–organic framework","Green Chemistry","2025","27","28","8603","8612","10.1039/D5GC01928A","","","0.71073","MoKα","","0.03","0.0279","","","0.0798","0.0812","","","","","","1.063","","","","has coordinates","301608","2025-08-05","22:13:26",""
"7250612","9.3094","0.0015","15.956","0.003","28.392","0.005","96.344","0.005","90.243","0.005","104.661","0.005","4052.8","1.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C0.98 H0.98 Ca0.02 Er0 N0.98 O0.98 Sn0.02 -","- C2.47826 Er0.0869565 N0.0869565 O0.956522 Sn0.0434783 -","- C114 Er4 N4 O44 Sn2 -","46","23","","Wang, Xu; Fan, BinBin; Chen, Jing; Du, Jing; Pan, Dahai","Nanocage-based {SnEr2}-organic framework for high catalytic performance in cycloaddition of CO2 with epoxides and Knoevenagel condensation","RSC Advances","2025","15","27","21914","21921","10.1039/D5RA02661J","","","0.71073","MoKα","","0.2222","0.1646","","","0.4616","0.4918","","","","","","1.691","","","","has coordinates","300303","2025-07-03","01:38:05",""
"7250613","6.8399","0.0004","8.3288","0.0006","8.5473","0.0005","84.974","0.005","77.633","0.005","87.946","0.005","473.72","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H28 N2 O4 P2 S2 -","- C12 H28 N2 O4 P2 S2 -","- C12 H28 N2 O4 P2 S2 -","1","0.5","","Khorramaki, Maliheh; Pourayoubi, Mehrdad; Darugar, Vahidreza; Vakili, Mohammad; Nečas, Marek; Akbari, Mahmood; Maaza, Malik","Competition among weak C–H⋯O/S/H interactions in the crystal structure of {(C2H5O)2P(S)}2N2C4H8 bis(thiophosphoramide): experimental/computational studies","RSC Advances","2025","15","28","22671","22681","10.1039/D5RA01306B","","","0.71073","MoKα","","0.0378","0.0311","","","0.0816","0.086","","","","","","1.09","","","","has coordinates","300304","2025-07-03","01:38:18",""
"7250614","11.4114","0.0001","16.1748","0.0001","19.6865","0.0002","113.206","0.001","90.648","0.001","94.667","0.001","3324.89","0.06","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H48 B Cu F20 N4 -","- C73 H48 B Cu F20 N4 -","- C146 H96 B2 Cu2 F40 N8 -","2","1","","Tomita, Ryunosuke; Jin, Mingoo","Construction of sterically bent π-conjugated arylene by implanting into bulky NHC Cu(i) coordination polymers in crystalline media","CrystEngComm","2025","27","33","5618","5624","10.1039/D5CE00346F","","x-ray","1.54184","CuKα","","0.04","0.0371","","","0.1017","0.1039","","","","","","1.047","","","","has coordinates","302573","2025-10-06","08:26:41",""
"7250615","13.43416","0.00005","19.85881","0.00007","28.77729","0.0001","90","","93.4025","0.0003","90","","7663.86","0.05","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H59 B Cu F24 N4 -","- C81 H59 B Cu F24 N4 -","- C324 H236 B4 Cu4 F96 N16 -","4","1","","Tomita, Ryunosuke; Jin, Mingoo","Construction of sterically bent π-conjugated arylene by implanting into bulky NHC Cu(i) coordination polymers in crystalline media","CrystEngComm","2025","27","33","5618","5624","10.1039/D5CE00346F","","x-ray","1.54184","CuKα","","0.0788","0.0747","","","0.2116","0.2151","","","","","","1.069","","","","has coordinates","302573","2025-10-06","08:26:41",""
"7250616","12.27189","0.00004","15.93292","0.00004","36.59908","0.00011","90","","98.9216","0.0003","90","","7069.53","0.04","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H56 B Cu F24 N4 -","- C71 H56 B Cu F24 N4 -","- C284 H224 B4 Cu4 F96 N16 -","4","1","","Tomita, Ryunosuke; Jin, Mingoo","Construction of sterically bent π-conjugated arylene by implanting into bulky NHC Cu(i) coordination polymers in crystalline media","CrystEngComm","2025","27","33","5618","5624","10.1039/D5CE00346F","","x-ray","1.54184","CuKα","","0.0546","0.0541","","","0.1438","0.1442","","","","","","1.05","","","","has coordinates,has disorder","302573","2025-10-06","08:26:41",""
"7250617","8.5444","0.0014","8.9657","0.0016","9.8947","0.0018","65.259","0.005","87.895","0.006","73.816","0.005","658.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 N2 O7 Sr -","- C11 H10 N2 O7 Sr -","- C22 H20 N4 O14 Sr2 -","2","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","0.71073","MoKα","","0.0363","0.0274","","","0.0542","0.0569","","","","","","1.063","","","","has coordinates","302569","2025-10-06","08:25:15",""
"7250618","9.899","0.002","7.3502","0.0015","17.549","0.003","90","","90.527","0.007","90","","1276.8","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O5 Sr -","- C11 H10 N2 O5 Sr -","- C44 H40 N8 O20 Sr4 -","4","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","0.71073","MoKα","","0.0255","0.0202","","","0.0427","0.045","","","","","","1.041","","","","has coordinates","302569","2025-10-06","08:25:19",""
"7250619","8.1199","0.0009","11.4685","0.0012","20.653","0.002","90.29","0.004","97.103","0.004","90.402","0.004","1908.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14.5 H11 F6 N3 O5.5 Sr -","- C14.5 H11 F6 N3 O5.5 Sr -","- C58 H44 F24 N12 O22 Sr4 -","4","2","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","0.71073","MoKα","","0.102","0.0494","","","0.0821","0.094","","","","","","0.864","","","","has coordinates,has disorder","302569","2025-10-06","08:25:26",""
"7250620","8.3624","0.0003","10.0318","0.0004","11.0092","0.0004","93.106","0.001","90.183","0.001","100.056","0.001","907.96","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Br2 N4 O6 Sr -","- C14 H14 Br2 N4 O6 Sr -","- C28 H28 Br4 N8 O12 Sr2 -","2","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","0.71073","MoKα","","0.034","0.0248","","","0.0539","0.0575","","","","","","1.059","","","","has coordinates","302569","2025-10-06","08:25:26",""
"7250621","27.3016","0.0004","27.3016","0.0004","13.4005","0.0003","90","","90","","90","","9988.4","0.3","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H15 N5 O6 Sr -","- C14 H15 N5 O6 Sr -","- C224 H240 N80 O96 Sr16 -","16","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","1.54178","CuKα","","0.1232","0.0997","","","0.2693","0.2999","","","","","","1.153","","","","has coordinates,has disorder","302569","2025-10-06","08:25:26",""
"7250622","22.2525","0.0002","22.2525","0.0002","13.4124","0.0002","90","","90","","90","","6641.47","0.13","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H16 N4 O6 Sr -","- C14 H16 N4 O6 Sr -","- C224 H256 N64 O96 Sr16 -","16","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","x-ray","0.67163","synchrotron","","0.0633","0.0538","","","0.1076","0.1123","","","","","","1.159","","","","has coordinates","302569","2025-10-06","08:25:26",""
"7250623","30.943","0.004","5.8323","0.0009","17.507","0.002","90","","90.591","0.005","90","","3159.3","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N4 O6 S Sr -","- C12 H14 N4 O6 S Sr -","- C96 H112 N32 O48 S8 Sr8 -","8","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","0.71073","MoKα","","0.0789","0.043","","","0.0822","0.0968","","","","","","1.014","","","","has coordinates","302569","2025-10-06","08:25:27",""
"7250624","10.7902","0.0003","17.9102","0.0004","14.8163","0.0004","90","","106.409","0.001","90","","2746.69","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N6 O13 Sr2 -","- C21 H22 N6 O13 Sr2 -","- C84 H88 N24 O52 Sr8 -","4","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","0.71073","MoKα","","0.0652","0.0357","","","0.0585","0.0681","","","","","","1.046","","","","has coordinates","302569","2025-10-06","08:25:27",""
"7250625","9.9888","0.0005","11.4316","0.0005","12.6577","0.0007","104.81","0.002","94.908","0.002","102.704","0.002","1347.64","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19.5 H13.5 Cu F4.5 N6 O4 S -","- C19.5 H13.5 Cu F4.5 N6 O4 S -","- C39 H27 Cu2 F9 N12 O8 S2 -","2","1","","Bresciani, Giulio; Guelfi, Massimo; Dosa, Melodj; Guiotto, Virginia; Crocellà, Valentina; Lessi, Marco; Taddei, Marco","Synthesis and structural characterisation of CuII-based MOFs constructed by combining functionalised 1,4-bis(1H-imidazol-1-Yl)benzene ligands with copper sulfate","CrystEngComm","2025","27","24","4071","4080","10.1039/D5CE00247H","","","0.71073","MoKα","","0.0913","0.0763","","","0.2162","0.2297","","","","","","1.072","","","","has coordinates,has disorder","300336","2025-07-04","18:58:15",""
"7250626","11.1084","0.0012","12.6501","0.0013","13.3862","0.0013","70.221","0.004","86.43","0.004","85.507","0.004","1763.4","0.3","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cu N8 O4 S -","- C26 H24 Cu N8 O4 S -","- C52 H48 Cu2 N16 O8 S2 -","2","1","","Bresciani, Giulio; Guelfi, Massimo; Dosa, Melodj; Guiotto, Virginia; Crocellà, Valentina; Lessi, Marco; Taddei, Marco","Synthesis and structural characterisation of CuII-based MOFs constructed by combining functionalised 1,4-bis(1H-imidazol-1-Yl)benzene ligands with copper sulfate","CrystEngComm","2025","27","24","4071","4080","10.1039/D5CE00247H","","","0.71073","MoKα","","0.0605","0.043","","","0.1111","0.1194","","","","","","1.036","","","","has coordinates","300336","2025-07-04","18:58:17",""
"7250627","11.078","0.0005","12.6235","0.0006","13.3342","0.0005","70.642","0.002","86.43","0.002","85.269","0.002","1752.07","0.13","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl2 Cu N8 O4 S -","- C24 H18 Cl2 Cu N8 O4 S -","- C48 H36 Cl4 Cu2 N16 O8 S2 -","2","1","","Bresciani, Giulio; Guelfi, Massimo; Dosa, Melodj; Guiotto, Virginia; Crocellà, Valentina; Lessi, Marco; Taddei, Marco","Synthesis and structural characterisation of CuII-based MOFs constructed by combining functionalised 1,4-bis(1H-imidazol-1-Yl)benzene ligands with copper sulfate","CrystEngComm","2025","27","24","4071","4080","10.1039/D5CE00247H","","","0.71073","MoKα","","0.0765","0.0545","","","0.1539","0.1693","","","","","","1.049","","","","has coordinates","300336","2025-07-04","18:58:17",""
"7250628","12.3984","0.0005","12.6201","0.0006","14.299","0.0006","69.269","0.002","64.997","0.002","64.189","0.002","1785.35","0.14","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cu N8 O6 S -","- C26 H24 Cu N8 O6 S -","- C52 H48 Cu2 N16 O12 S2 -","2","1","","Bresciani, Giulio; Guelfi, Massimo; Dosa, Melodj; Guiotto, Virginia; Crocellà, Valentina; Lessi, Marco; Taddei, Marco","Synthesis and structural characterisation of CuII-based MOFs constructed by combining functionalised 1,4-bis(1H-imidazol-1-Yl)benzene ligands with copper sulfate","CrystEngComm","2025","27","24","4071","4080","10.1039/D5CE00247H","","","0.71073","MoKα","","0.0835","0.0671","","","0.191","0.2078","","","","","","1.041","","","","has coordinates,has disorder","300336","2025-07-04","18:58:17",""
"7250629","9.1139","0.0006","10.7892","0.0008","14.2581","0.001","101.387","0.004","94.491","0.004","97.68","0.004","1354.17","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H29 N3 S -","- C34 H29 N3 S -","- C68 H58 N6 S2 -","2","1","","Afrin, A.; P, Chinna Ayya Swamy","Structural modulations: unraveling the impact of benzothiazole positions on the optical properties of carbazole–cyanostilbenes","CrystEngComm","2025","27","22","3664","3674","10.1039/D5CE00132C","","","0.71073","MoKα","","0.1792","0.0705","","","0.1671","0.2179","","","","","","1.03","","","","has coordinates","300337","2025-07-04","18:59:49",""
"7250630","10.192","0.003","13.023","0.004","13.452","0.004","94.774","0.008","105.146","0.008","94.739","0.007","1707.3","0.9","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","Vandetanib Ibuprofen","4-(((4-((4-bromo-2-fluorophenyl)amino)-6-methoxyquinazolin-7-yl)oxy)methyl)-1-methylpiperidin-1-ium 2-(4-isobutylphenyl)propanoate","","- C35 H42 Br F N4 O4 -","- C35 H42 Br F N4 O4 -","- C70 H84 Br2 F2 N8 O8 -","2","1","","Abishek, K. G.; Kenguva, Gowtham; Giri, Lopamudra; Venkat Shivaji Ramarao, E. V.; Dhilli Rao, Gorja; Dandela, Rambabu","A current insight into the drug–drug molecular adducts of an anti-cancer drug vandetanib with various NSAIDs","CrystEngComm","2025","27","19","2998","3005","10.1039/D5CE00070J","","","0.71073","MoKα","","0.1242","0.0728","","","0.1808","0.2135","","","","","","1.026","","","","has coordinates","300338","2025-07-04","19:02:55",""
"7250631","12.7596","0.001","12.7738","0.001","13.177","0.0011","110.597","0.002","90.033","0.002","118.704","0.002","1725.4","0.2","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","Vandetanib Mefenamic acid","4-(((4-((4-bromo-2-fluorophenyl)amino)-6-methoxyquinazolin-7-yl)oxy)methyl)-1-methylpiperidin-1-ium 2-((2,3-dimethylphenyl)amino)benzoate","","- C37 H39 Br F N5 O4 -","- C37 H39 Br F N5 O4 -","- C74 H78 Br2 F2 N10 O8 -","2","1","","Abishek, K. G.; Kenguva, Gowtham; Giri, Lopamudra; Venkat Shivaji Ramarao, E. V.; Dhilli Rao, Gorja; Dandela, Rambabu","A current insight into the drug–drug molecular adducts of an anti-cancer drug vandetanib with various NSAIDs","CrystEngComm","2025","27","19","2998","3005","10.1039/D5CE00070J","","","0.71073","MoKα","","0.1093","0.0643","","","0.1377","0.1606","","","","","","1.009","","","","has coordinates","300338","2025-07-04","19:02:58",""
"7250632","15.0312","0.0006","9.3081","0.0004","19.6029","0.0008","90","","101.075","0.004","90","","2691.6","0.2","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl2 Cu N6 O11 -","- C21 H24 Cl2 Cu N6 O11 -","- C84 H96 Cl8 Cu4 N24 O44 -","4","1","","Zhao, Bin-shan; Zhang, Chao; Lu, Zu-jia; Dong, Wen-shuai; Xu, Mei-qi; Li, Cong; Yu, Qi-yao; Zhang, Jian-guo","Comparative study of two copper perchlorate hydrazide complexes: impact of coordination chemistry on laser sensitivity and energetic properties","CrystEngComm","2025","27","19","3032","3040","10.1039/D5CE00148J","","x-ray","0.71073","MoKα","","0.1064","0.0697","","","0.1688","0.2031","","","","","","1.05","","","","has coordinates","300339","2025-07-04","19:03:19",""
"7250633","9.9076","0.0008","7.1785","0.0005","14.717","0.002","90","","108.113","0.012","90","","994.83","0.18","119.75","0.1","119.75","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl2 Cu N4 O10 -","- C14 H16 Cl2 Cu N4 O10 -","- C28 H32 Cl4 Cu2 N8 O20 -","2","0.5","","Zhao, Bin-shan; Zhang, Chao; Lu, Zu-jia; Dong, Wen-shuai; Xu, Mei-qi; Li, Cong; Yu, Qi-yao; Zhang, Jian-guo","Comparative study of two copper perchlorate hydrazide complexes: impact of coordination chemistry on laser sensitivity and energetic properties","CrystEngComm","2025","27","19","3032","3040","10.1039/D5CE00148J","","x-ray","0.71073","MoKα","","0.049","0.0392","","","0.0766","0.084","","","","","","1.06","","","","has coordinates","300339","2025-07-04","19:03:20",""
"7250634","7.553","0.0007","9.3446","0.0006","9.6219","0.0007","86.478","0.006","66.993","0.008","71.718","0.007","592.09","0.09","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H5 Br4 N2 S Sb -","- C3 H5 Br4 N2 S Sb -","- C6 H10 Br8 N4 S2 Sb2 -","2","1","","Chong, Qingdian; He, Lei; Yang, Yawen; Ye, Qiong","Ferroelasticity induced by metal substitution in one-dimensional hybrid perovskites","CrystEngComm","2025","27","20","3320","3325","10.1039/D5CE00239G","","","0.71073","MoKα","","0.0703","0.0507","","","0.1119","0.1195","","","","","","1.003","","","","has coordinates","300340","2025-07-04","19:07:32",""
"7250635","13.5885","0.0009","13.4694","0.001","7.5873","0.0005","90","","120.686","0.006","90","","1194.25","0.16","387.9","0.3","387.9","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H5 Br4 N2 S Sb -","- C3 H5 Br4 N2 S Sb -","- C12 H20 Br16 N8 S4 Sb4 -","4","0.5","","Chong, Qingdian; He, Lei; Yang, Yawen; Ye, Qiong","Ferroelasticity induced by metal substitution in one-dimensional hybrid perovskites","CrystEngComm","2025","27","20","3320","3325","10.1039/D5CE00239G","","x-ray","0.71073","MoKα","","0.0593","0.0361","","","0.0958","0.1047","","","","","","1.008","","","","has coordinates,has disorder","300340","2025-07-04","19:07:32",""
"7250636","13.4541","0.0004","13.6664","0.0004","7.5122","0.0002","90","","118.77","0.002","90","","1210.76","0.06","393.02","0.1","393.02","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H5 Bi Br4 N2 S -","- C3 H5 Bi Br4 N2 S -","- C12 H20 Bi4 Br16 N8 S4 -","4","0.5","","Chong, Qingdian; He, Lei; Yang, Yawen; Ye, Qiong","Ferroelasticity induced by metal substitution in one-dimensional hybrid perovskites","CrystEngComm","2025","27","20","3320","3325","10.1039/D5CE00239G","","x-ray","1.54178","CuKα","","0.08","0.0756","","","0.2079","0.2158","","","","","","1.119","","","","has coordinates,has disorder","300340","2025-07-04","19:07:33",""
"7250637","8.9986","0.0007","17.8803","0.0011","7.3616","0.0007","90","","95.761","0.008","90","","1178.48","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 Bi Br4 N2 S -","- C3 H5 Bi Br4 N2 S -","- C12 H20 Bi4 Br16 N8 S4 -","4","1","","Chong, Qingdian; He, Lei; Yang, Yawen; Ye, Qiong","Ferroelasticity induced by metal substitution in one-dimensional hybrid perovskites","CrystEngComm","2025","27","20","3320","3325","10.1039/D5CE00239G","","","0.71073","MoKα","","0.0709","0.0556","","","0.1323","0.138","","","","","","1.044","","","","has coordinates","300340","2025-07-04","19:07:33",""
"7250638","12.6355","0.0006","14.5471","0.0007","15.0531","0.0007","61.623","0.002","70.727","0.002","67.089","0.002","2206.18","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H63.5 Cl1.5 N5 O4 -","- C46 H63.5 Cl1.5 N5 O4 -","- C92 H127 Cl3 N10 O8 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","x-ray","1.34139","Synchrotron","GaKα","0.0637","0.0536","","","0.1449","0.1526","","","","","","1.057","","","","has coordinates,has disorder","300341","2025-07-04","19:09:45",""
"7250639","13.5541","0.001","25.3522","0.0019","15.2379","0.0011","90","","104.797","0.003","90","","5062.5","0.6","200","2","200","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C47 H59 N6 O4 -","- C47 H59 N6 O4 -","- C188 H236 N24 O16 -","4","0.5","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.0539","0.0468","","","0.1474","0.1516","","","","","","1.095","","","","has coordinates,has disorder","300341","2025-07-04","19:09:48",""
"7250640","12.8152","0.0005","14.8332","0.0006","14.9878","0.0006","96.264","0.001","111.759","0.001","113.286","0.001","2318.8","0.16","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H60 N5 O5 -","- C47 H60 N5 O5 -","- C94 H120 N10 O10 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.074","0.0592","","","0.1792","0.1943","","","","","","1.06","","","","has coordinates","300341","2025-07-04","19:09:50",""
"7250641","15.1531","0.0009","17.6198","0.0011","19.7365","0.0012","102.794","0.002","90.793","0.002","113.6","0.002","4677.8","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H134 Cl4 N10 O12 -","- C92 H134 Cl4 N10 O12 -","- C184 H268 Cl8 N20 O24 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34138","GaKα","","0.076","0.0727","","","0.1909","0.1933","","","","","","1.035","","","","has coordinates,has disorder","300341","2025-07-04","19:09:50",""
"7250642","12.1297","0.0006","14.6354","0.0007","15.2121","0.0007","104.844","0.001","113.237","0.001","90.513","0.002","2380.1","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H69 N5 O6 -","- C49 H69 N5 O6 -","- C98 H138 N10 O12 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.0562","0.0515","","","0.1409","0.1458","","","","","","1.045","","","","has coordinates,has disorder","300341","2025-07-04","19:09:51",""
"7250643","12.1319","0.0006","14.3099","0.0007","15.1788","0.0007","102.738","0.001","110.436","0.001","93.011","0.002","2384.2","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H62 N5 O5 -","- C48 H62 N5 O5 -","- C96 H124 N10 O10 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.0741","0.0632","","","0.1992","0.2143","","","","","","1.072","","","","has coordinates,has disorder","300341","2025-07-04","19:09:51",""
"7250644","12.1303","0.0006","14.6397","0.0006","15.2164","0.0006","104.299","0.001","111.887","0.001","92.417","0.002","2402.51","0.18","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H62 N5 O6 -","- C48 H62 N5 O6 -","- C96 H124 N10 O12 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.0599","0.0547","","","0.172","0.1795","","","","","","1.04","","","","has coordinates,has disorder","300341","2025-07-04","19:09:51",""
"7250645","15.361","0.002","17.925","0.003","19.975","0.003","103.894","0.005","91.039","0.005","114.731","0.005","4805.4","1.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H118 Cl8 N10 O10 -","- C94 H118 Cl8 N10 O10 -","- C188 H236 Cl16 N20 O20 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.0873","0.0652","","","0.1855","0.1977","","","","","","1.082","","","","has coordinates,has disorder","300341","2025-07-04","19:09:51",""
"7250646","14.8218","0.0017","15.0041","0.0018","24.178","0.003","99.601","0.006","94.15","0.005","118.184","0.005","4601.8","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C98 H131 N10 O10 -","- C98 H131 N10 O10 -","- C196 H262 N20 O20 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.1634","0.1456","","","0.349","0.3616","","","","","","1.07","","","","has coordinates,has disorder","300341","2025-07-04","19:09:51",""
"7250647","8.3995","0.0004","10.924","0.0005","38.1055","0.0019","90","","96.154","0.001","90","","3476.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl Hg N2 S16 Se2 -","- C22 H16 Cl Hg N2 S16 Se2 -","- C88 H64 Cl4 Hg4 N8 S64 Se8 -","4","1","","Henderson, A.; Razpopov, A.; Biswas, S.; Valentí, R.; Cui, H.; Kato, R.; Wei, K.; van Tol, J.; Siegrist, T.; Schlueter, J. A.","One-dimensional antiferromagnetic chain in the cation radical salt α-(BEDT-TTF)2Hg(SeCN)2Cl","CrystEngComm","2025","27","18","2805","2809","10.1039/D5CE00007F","","x-ray","0.41328","synchrotron","","0.0451","0.0346","","","0.079","0.0812","","","","","","0.921","","","","has coordinates","300342","2025-07-04","19:10:47",""
"7250648","10.064","0.002","14.486","0.002","20.686","0.006","90","","90","","90","","3015.8","1.1","303","","303","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H18 B3 F12 N3 -","- C5 H18 B3 F12 N3 -","- C40 H144 B24 F96 N24 -","8","1","","Zhang, Feng-Wen; Xie, Yu-Lan; Liu, Pei-Guo; Li, Meng-Qiang; Yang, Yi-Xuan; Ni, Hao-Fei; Teri, Gele; Zhu, Ming; Wang, Chang-Feng; Zhang, Yi; Fu, Da-Wei","Three-dimensional metal-free perovskite with switchable dielectric behaviors","CrystEngComm","2025","27","18","2810","2814","10.1039/D5CE00294J","","","1.54184","CuKα","","0.1496","0.1035","","","0.218","0.2488","","","","","","1.022","","","","has coordinates,has disorder","300343","2025-07-04","19:11:49",""
"7250649","10.449","0.003","10.169","0.003","14.541","0.006","90","","90","","90","","1545.1","0.9","393.15","","393.15","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C5 B3 F12 N3 -","- C5 B3 F12 N3 -","- C20 B12 F48 N12 -","4","0.25","","Zhang, Feng-Wen; Xie, Yu-Lan; Liu, Pei-Guo; Li, Meng-Qiang; Yang, Yi-Xuan; Ni, Hao-Fei; Teri, Gele; Zhu, Ming; Wang, Chang-Feng; Zhang, Yi; Fu, Da-Wei","Three-dimensional metal-free perovskite with switchable dielectric behaviors","CrystEngComm","2025","27","18","2810","2814","10.1039/D5CE00294J","","","1.54184","CuKα","","0.1953","0.1458","","","0.3044","0.3346","","","","","","1.007","","","","has coordinates,has disorder","300343","2025-07-04","19:11:50",""
"7250650","9.0492","0.0003","9.5052","0.0004","9.9724","0.0003","62.525","0.004","75.236","0.003","80.607","0.003","734.86","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 N4 -","- C18 H16 N4 -","- C36 H32 N8 -","2","1","","Chaudhary, Simran; Wiśniewski, Marek; Hoser, Anna; Maria Losus, Renny; Rafiński, Zbigniew; Dobrzańska, Liliana","Reversible phase transformations upon water uptake/removal in crystalline material of a bipodal N-donor ligand and evaluation of the stability of the hydrates formed","CrystEngComm","2025","27","23","3891","3898","10.1039/D5CE00130G","","","1.54184","CuKα","","0.0444","0.0391","","","0.1008","0.1042","","","","","","1.056","","","","has coordinates","300344","2025-07-04","19:13:06",""
"7250651","18.149","0.004","9.6466","0.0019","9.3799","0.0019","90","","93.06","0.03","90","","1639.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 O2 -","- C18 H20 N4 O2 -","- C72 H80 N16 O8 -","4","1","","Chaudhary, Simran; Wiśniewski, Marek; Hoser, Anna; Maria Losus, Renny; Rafiński, Zbigniew; Dobrzańska, Liliana","Reversible phase transformations upon water uptake/removal in crystalline material of a bipodal N-donor ligand and evaluation of the stability of the hydrates formed","CrystEngComm","2025","27","23","3891","3898","10.1039/D5CE00130G","","","0.71073","MoKα","","0.088","0.0581","","","0.1178","0.1299","","","","","","1.056","","","","has coordinates","300344","2025-07-04","19:13:08",""
"7250652","20.541","0.0004","5.4683","0.0001","26.6872","0.0005","90","","102.478","0.002","90","","2926.82","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N4 O0.5 -","- C18 H17 N4 O0.5 -","- C144 H136 N32 O4 -","8","1","","Chaudhary, Simran; Wiśniewski, Marek; Hoser, Anna; Maria Losus, Renny; Rafiński, Zbigniew; Dobrzańska, Liliana","Reversible phase transformations upon water uptake/removal in crystalline material of a bipodal N-donor ligand and evaluation of the stability of the hydrates formed","CrystEngComm","2025","27","23","3891","3898","10.1039/D5CE00130G","","","1.54184","CuKα","","0.0422","0.0371","","","0.0936","0.0973","","","","","","1.046","","","","has coordinates","300344","2025-07-04","19:13:08",""
"7250653","9.7262","0.0001","10.1281","0.0001","31.3817","0.0005","90","","90","","90","","3091.35","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N4 O -","- C18 H18 N4 O -","- C144 H144 N32 O8 -","8","1","","Chaudhary, Simran; Wiśniewski, Marek; Hoser, Anna; Maria Losus, Renny; Rafiński, Zbigniew; Dobrzańska, Liliana","Reversible phase transformations upon water uptake/removal in crystalline material of a bipodal N-donor ligand and evaluation of the stability of the hydrates formed","CrystEngComm","2025","27","23","3891","3898","10.1039/D5CE00130G","","","1.54184","CuKα","","0.0428","0.0383","","","0.103","0.1061","","","","","","1.039","","","","has coordinates","300344","2025-07-04","19:13:08",""
"7250654","13.814","0.004","18.929","0.005","19.532","0.005","67.633","0.01","81.377","0.011","86.179","0.01","4669","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C164 H186 Bi2 Co4 O20 S16 -","- C164 H186 Bi2 Co4 O20 S16 -","- C164 H186 Bi2 Co4 O20 S16 -","1","0.5","","Chen, Tianxia; Zou, Yuhan; Mao, Dongao; Bi, Yanfeng","Bismuth-based heterometallic clusters capped by thiacalixarene for visible-light photothermal conversion","CrystEngComm","2025","27","21","3528","3536","10.1039/D5CE00325C","","","0.71073","MoKα","","0.044","0.0369","","","0.1027","0.1065","","","","","","1.031","","","","has coordinates","300345","2025-07-04","19:13:35",""
"7250655","13.8454","0.001","19.0729","0.0013","19.6074","0.0014","67.17","0.003","80.576","0.003","85.808","0.003","4707.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C164 H186 Bi2 Ni4 O20 S16 -","- C164 H186 Bi2 Ni4 O20 S16 -","- C164 H186 Bi2 Ni4 O20 S16 -","1","0.5","","Chen, Tianxia; Zou, Yuhan; Mao, Dongao; Bi, Yanfeng","Bismuth-based heterometallic clusters capped by thiacalixarene for visible-light photothermal conversion","CrystEngComm","2025","27","21","3528","3536","10.1039/D5CE00325C","","","0.71073","MoKα","","0.0776","0.0577","","","0.155","0.1682","","","","","","1.035","","","","has coordinates","300345","2025-07-04","19:13:36",""
"7250656","5.4271","0.0003","6.512","0.0004","16.5542","0.001","99.824","0.002","94.165","0.002","99.031","0.002","566.34","0.06","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Cl4 I2 O4 -","- C20 H12 Cl4 I2 O4 -","- C20 H12 Cl4 I2 O4 -","1","0.5","","Feld, Emmett H.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Hierarchy and cooperativity between π-type halogen bonds and aromatic carboxylic acid dimers in co-crystal formation","CrystEngComm","2025","27","30","5100","5103","10.1039/D5CE00551E","","","0.71073","MoKα","","0.0255","0.0212","","","0.0462","0.0482","","","","","","1.074","","","","has coordinates","301572","2025-08-05","21:36:04",""
"7250657","5.3023","0.0002","6.6859","0.0003","18.7003","0.0009","87.26","0.002","82.172","0.001","82.178","0.002","650.36","0.05","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cl4 I2 O4 -","- C24 H16 Cl4 I2 O4 -","- C24 H16 Cl4 I2 O4 -","1","0.5","","Feld, Emmett H.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Hierarchy and cooperativity between π-type halogen bonds and aromatic carboxylic acid dimers in co-crystal formation","CrystEngComm","2025","27","30","5100","5103","10.1039/D5CE00551E","","","0.71073","MoKα","","0.0258","0.0222","","","0.0501","0.0523","","","","","","1.05","","","","has coordinates,has disorder","301572","2025-08-05","21:36:04",""
"7250658","31.3021","0.0007","10.513","0.0003","15.6391","0.0004","90","","90.53","0.002","90","","5146.3","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H21 F4 Ir N4 O2 -","- C29 H21 F4 Ir N4 O2 -","- C232 H168 F32 Ir8 N32 O16 -","8","1","","Behera, Suvasmita; Pradhan, Kahnu Charan; Barik, Sahadev; Sarkar, Moloy; Kumar, Jagadish; Dandapat, Jagneshwar; Pradhan, Jyotsnarani; Pal, Satyanarayan","Anticancer efficacy of bis-heteroleptic iridium(iii) complexes with difluoro-substituted phenylpyridine ligands","RSC Advances","2025","15","28","22875","22888","10.1039/D5RA03076E","","","1.54184","CuKα","","0.0351","0.0338","","","0.0888","0.0899","","","","","","1.063","","","","has coordinates","300355","2025-07-05","01:26:44",""
"7250659","32.873","0.0012","10.621","0.0004","15.9665","0.0005","90","","93.922","0.001","90","","5561.6","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H20 F4 Ir N5 O -","- C33 H20 F4 Ir N5 O -","- C264 H160 F32 Ir8 N40 O8 -","8","1","","Behera, Suvasmita; Pradhan, Kahnu Charan; Barik, Sahadev; Sarkar, Moloy; Kumar, Jagadish; Dandapat, Jagneshwar; Pradhan, Jyotsnarani; Pal, Satyanarayan","Anticancer efficacy of bis-heteroleptic iridium(iii) complexes with difluoro-substituted phenylpyridine ligands","RSC Advances","2025","15","28","22875","22888","10.1039/D5RA03076E","","","0.71073","MoKα","","0.0296","0.0217","","","0.0393","0.0414","","","","","","1.134","","","","has coordinates","300355","2025-07-05","01:26:45",""
"7250660","17.5937","0.0003","17.5937","0.0003","29.4019","0.0007","90","","90","","120","","7881.7","0.3","169.99","0.1","169.99","0.1","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C46 H40 Mn N2 O2 P2 -","- C46 H40 Mn N2 O2 P2 -","- C276 H240 Mn6 N12 O12 P12 -","6","1","","Su, Yi; Zhu, Dongzhi; Ma, Zhifeng; Wang, Yizhou; Wang, Zechen; Wang, Zheng; Ma, Yanping; Sun, Wen-Hua","1,2-Diaminocyclohexane-derived chiral tetradentate ligands for Mn(i)-catalyzed asymmetric hydrogenation of ketones","RSC Advances","2025","15","28","23097","23102","10.1039/D5RA03062E","","x-ray","1.54178","CuKα","","0.0796","0.0674","","","0.1839","0.194","","","","","","1.055","","","","has coordinates","300356","2025-07-05","01:27:03",""
"7250661","8.25833","0.0001","12.69524","0.00015","20.3354","0.0003","90","","90","","90","","2131.99","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C88 H112 O32 -","4","1","","Williams, Katherine; Spencer, Catherine E.; de Mattos-Shipley, Kate M. J.; Shah, Anjali D.; Dao, Trong-Tuan; Davies, Jonathan A.; Heard, David M.; Song, Zhongshu; Winter, Ashley J.; Crump, Matthew P.; Willis, Christine L.; Bailey, Andrew M.","In vivo and in vitro investigations provide insights into maleidride biosynthesis in fungi","RSC Advances","2025","15","28","22799","22806","10.1039/D5RA02147B","","x-ray","1.54178","CuKα","","0.0673","0.0642","","","0.2048","0.2102","","","","","","1.114","","","","has coordinates,has disorder","300357","2025-07-05","01:27:19",""
"7250662","9.4298","0.0003","17.407","0.0007","9.4334","0.0004","90","","96.268","0.001","90","","1539.18","0.1","296.15","","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","","Rodríguez-Núñez, Yeray A; Sánchez-Márquez, Jesús; Quintero-Saumeth, Jorge; Guerra, Cristian J.; Polo-Cuadrado, Efraín; Villaman, David; Fica-Cornejo, Cristopher A; Romero Bohórquez, Arnold R","Mechanistic insights on the Lewis acid-catalyzed three-component cationic Povarov reaction: synthesis of <i>N</i>-propargyl 1,2,3,4-tetrahydroquinolines.","RSC advances","2025","15","15","11799","11810","10.1039/d5ra01375e","","","0.71073","MoKα","","0.0546","0.044","","","0.1138","0.1212","","","","","","1.055","","","","has coordinates","300382","2025-07-06","09:18:30",""
"7250663","13.644","0.0014","13.7725","0.0011","16.2084","0.0016","90","","105.381","0.003","90","","2936.7","0.5","273.15","","273.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C120 H168 N8 O16 -","- C120 H168 N8 O16 -","- C120 H168 N8 O16 -","1","0.25","","Jing, Yutao; Zhang, Li; Qiu, Li; Fang, Yewen","Modular reductive radical-polar crossover-based acyl migration reactions of <i>N</i>-vinylimides with alkyl, silyl, and acyl radicals.","RSC advances","2025","15","15","11582","11586","10.1039/d5ra01542a","","","0.71073","MoKα","","0.0873","0.0624","","","0.16","0.1848","","","","","","1.0461","","","","has coordinates","300383","2025-07-06","09:19:07",""
"7250664","9.7752","0.001","11.4458","0.0012","24.731","0.003","94.352","0.003","93.154","0.003","108.044","0.003","2614.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57.8 H52.8 Br2 Cl2.39 N4 O11 -","- C57.795 H52.795 Br2 Cl2.385 N4 O11 -","- C115.59 H105.59 Br4 Cl4.77 N8 O22 -","2","1","","Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange","CrystEngComm","2025","27","29","5003","5009","10.1039/D5CE00462D","","","1.54178","CuKα","","0.0357","0.0343","","","0.0885","0.0907","","","","","","1.025","","","","has coordinates,has disorder","301558","2025-08-05","21:31:52",""
"7250665","16.4443","0.0005","16.6197","0.0005","17.6078","0.0006","113.668","0.002","105.994","0.002","92.943","0.002","4164.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H50 N4 O9 -","- C48 H50 N4 O9 -","- C192 H200 N16 O36 -","4","2","","Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange","CrystEngComm","2025","27","29","5003","5009","10.1039/D5CE00462D","","","1.54178","CuKα","","0.1505","0.0918","","","0.2143","0.2668","","","","","","1.053","","","","has coordinates","301558","2025-08-05","21:31:52",""
"7250666","9.667","0.0008","22.9197","0.0019","15.4712","0.0013","90","","98.877","0.003","90","","3386.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C59 H51 Br2 Cl15 N4 O10 -","- C59 H51 Br2 Cl15 N4 O10 -","- C118 H102 Br4 Cl30 N8 O20 -","2","0.5","","Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange","CrystEngComm","2025","27","29","5003","5009","10.1039/D5CE00462D","","","1.54178","CuKα","","0.0622","0.0573","","","0.1451","0.1494","","","","","","1.056","","","","has coordinates,has disorder","301558","2025-08-05","21:31:52",""
"7250667","9.7166","0.0006","11.3692","0.0007","24.7966","0.0016","94.639","0.002","92.734","0.002","107.934","0.002","2590","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 Br2 N4 O12 -","- C60 H58 Br2 N4 O12 -","- C120 H116 Br4 N8 O24 -","2","1","","Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange","CrystEngComm","2025","27","29","5003","5009","10.1039/D5CE00462D","","","1.54178","CuKα","","0.0261","0.0256","","","0.068","0.0683","","","","","","1.065","","","","has coordinates","301558","2025-08-05","21:31:52",""
"7250668","9.59","0.002","15.202","0.004","18.069","0.003","107.935","0.014","95.42","0.014","92.865","0.017","2486.3","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C103.5 H93.75 Br2 Cl9.75 N8 O16.75 -","- C103.5 H93.75 Br2 Cl9.75 N8 O16.75 -","- C103.5 H93.75 Br2 Cl9.75 N8 O16.75 -","1","0.5","","Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange","CrystEngComm","2025","27","29","5003","5009","10.1039/D5CE00462D","","","1.54178","CuKα","","0.0563","0.0529","","","0.1358","0.1394","","","","","","1.117","","","","has coordinates,has disorder","301558","2025-08-05","21:31:52",""
"7250669","9.3975","0.0006","23.0975","0.0014","27.7307","0.0017","90","","97.683","0.003","90","","5965.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 Cl12 N4 O10 -","- C58 H52 Cl12 N4 O10 -","- C232 H208 Cl48 N16 O40 -","4","1","","Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange","CrystEngComm","2025","27","29","5003","5009","10.1039/D5CE00462D","","","1.54178","CuKα","","0.1061","0.0909","","","0.272","0.2905","","","","","","1.037","","","","has coordinates,has disorder","301558","2025-08-05","21:31:52",""
"7250670","9.7937","0.0007","14.0371","0.0009","15.0676","0.0009","95.549","0.002","101.064","0.002","109.809","0.002","1883.1","0.2","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","1D Zn-Mof","","- C30 H33 N12 O15 Zn2 -","- C30 H33 N12 O15 Zn2 -","- C60 H66 N24 O30 Zn4 -","2","1","","Chaudhary, Palak; Thakur, Sahil; Singh, Raghubir; Kaur, Varinder","Cu- and Zn-based 1D MOFs as hosts to encapsulate Eu(iii) for tuning white light emission","CrystEngComm","2025","27","35","5819","5829","10.1039/D5CE00448A","","","0.71073","MoKα","","0.0745","0.0656","","","0.1949","0.2019","","","","","","1.07","","","","has coordinates","302586","2025-10-06","08:32:57",""
"7250671","9.848","0.0005","6.9721","0.0003","26.2496","0.0013","90","","95.371","0.001","90","","1794.42","0.15","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cu N6 O7 -","- C15 H15 Cu N6 O7 -","- C60 H60 Cu4 N24 O28 -","4","1","","Chaudhary, Palak; Thakur, Sahil; Singh, Raghubir; Kaur, Varinder","Cu- and Zn-based 1D MOFs as hosts to encapsulate Eu(iii) for tuning white light emission","CrystEngComm","2025","27","35","5819","5829","10.1039/D5CE00448A","","","0.71073","MoKα","","0.0863","0.0848","","","0.2298","0.2307","","","","","","1.104","","","","has coordinates","302586","2025-10-06","08:32:57",""
"7250672","24.8816","0.00003","24.8816","","24.8816","","90","","90","","90","","15404","0.019","","","293","","","","100","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al0.6 K0.593 O4.04 Si1.4 -","- Al0.6 K0.59255 O4.04033 Si1.4 -","- Al57.6 K56.8848 O387.872 Si134.4 -","96","0.5","","Chaib Draa, Yacine Malik; Örs, Taylan; Deroche, Irena; Dejoie, Catherine; Paillaud, Jean-Louis","3D ED for the localization of cations in potassium exchanged and partially dehydrated nano Y zeolite","CrystEngComm","2025","27","30","5095","5099","10.1039/D5CE00520E","powder diffraction","x-ray","0.35442","","","","","","","0.04029","","0.06627","","4.074","","","","","","","has coordinates","301569","2025-08-05","21:35:09",""
"7250673","13.6085","0.0004","13.6085","0.0004","12.7623","0.0005","90","","90","","120","","2046.82","0.12","153","2","153","","","","","","","","","4","P 63/m","-P 6c","176","Eisen-MOF mit Fumarsaeure","","","- C12 H12 Fe3 O16 -","- C12 H12 Fe3 O16 -","- C24 H24 Fe6 O32 -","2","0.166667","","Schumann, Erik; Störr, Bianca; Böhme, Uwe; Walter, Dominic; Mertens, Florian","A method for controlled growth of large MIL-88A crystals","CrystEngComm","2025","27","32","5404","5412","10.1039/D5CE00498E","","x-ray","0.71073","MoKα","","0.0737","0.0683","","","0.219","0.2242","","","","","","1.064","","","","has coordinates","302567","2025-10-06","08:24:32",""
"7250674","15.667","0.003","10.207","0.002","23.64","0.005","90","","101.832","0.006","90","","3700","1.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N4 -","- C24 H18 N4 -","- C192 H144 N32 -","8","2","","Swathi Krishna, P. E.; Baiju, Hanock; Hariharan, Mahesh","Thermally Activated Delayed Fluorescence in Aminoacene-linked Phenanthroline","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01709B","","","0.71073","MoKα","","0.2276","0.072","","","0.1493","0.2187","","","","","","0.994","","","","has coordinates","301230","2025-07-11","01:12:04",""
"7250675","21.342","0.004","16.508","0.003","22.533","0.005","90","0.03","104.29","0.03","90","0.03","7693","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C96 H70 N12 O2 -","- C96 H70 N12 O2 -","- C384 H280 N48 O8 -","4","0.5","","Swathi Krishna, P. E.; Baiju, Hanock; Hariharan, Mahesh","Thermally Activated Delayed Fluorescence in Aminoacene-linked Phenanthroline","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01709B","","","0.71073","MoKα","","0.2627","0.0618","","","0.1185","0.2051","","","","","","0.986","","","","has coordinates,has disorder","301230","2025-07-11","01:12:05",""
"7250676","19.939","0.008","57.66","0.02","3.7759","0.0015","90","","90","","90","","4341","3","296.15","","296.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C11 H9 N4 O2.5 -","- C11 H9 N4 O2.5 -","- C176 H144 N64 O40 -","16","1","","Fufa, Tesfa Oluma; Ma, Hongwei; Ayub, Ali R.; Nabat, Karim Y.; Khan, Yaqoot; Li, Hui","Zinc(ii) ion detection and fluorescence emission properties of a diaminomaleonitrile-derived unsymmetrical Schiff base ligand","RSC Advances","2025","15","30","24192","24201","10.1039/D5RA03383G","","","0.71073","MoKα","","0.1557","0.0694","","","0.1291","0.157","","","","","","1.036","","","","has coordinates","301231","2025-07-11","01:32:44",""
"7250677","8.743","0.0005","11.8023","0.0006","15.3997","0.0008","74.888","0.002","83.416","0.002","74.21","0.002","1474.58","0.14","299","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 N2 O4 -","- C35 H32 N2 O4 -","- C70 H64 N4 O8 -","2","1","","Nayak, Kalinga H.; Jijin, Robert K.; Babu, Beneesh P.","Synthesis of 5-(pyrazol-4-yl) pentanoic acids and 4-(pyrazol-4-yl) butanoic acids via a cascade annulation/ring-opening reaction between hydrazone and dienone","RSC Advances","2025","15","30","24137","24141","10.1039/D5RA03561A","","","0.71073","MoKα","","0.1599","0.07","","","0.1744","0.2343","","","","","","1.03","","","","has coordinates","301232","2025-07-11","01:33:12",""
"7250678","11.5363","0.0001","12.0675","0.0001","14.5536","0.0001","90","","102.115","0.001","90","","1980.95","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N O2 P -","- C24 H22 N O2 P -","- C96 H88 N4 O8 P4 -","4","1","","Chang, Yunong; Bian, Fangyu; Guo, Jiefei; Li, Miao-Miao; Ding, Wei","Photoinduced cobaloxime catalysis enabled dehydrogenative C2-phosphinylation of bicyclo[1.1.0]butanes to access phosphorylated cyclobutenes","RSC Advances","2025","15","29","24053","24057","10.1039/D5RA03697F","","x-ray","1.54184","CuKα","","0.0351","0.033","","","0.0857","0.0874","","","","","","1.036","","","","has coordinates","301233","2025-07-11","01:34:07",""
"7250679","9.2166","0.0007","13.6839","0.0009","13.696","0.0009","74.558","0.002","76.599","0.002","79.748","0.002","1607.14","0.19","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H34 Cl2 Hg N4 O S3 -","- C30 H34 Cl2 Hg N4 O S3 -","- C60 H68 Cl4 Hg2 N8 O2 S6 -","2","1","","Velmurugan, Priyanka; Kanniyappan, Poovarasan; Ghatak, Tapas","Beckmann rearrangement of ketoximes for accessing amides and lactams promoted by a perimidine-2-thione supported Hg(ii) complex: a mechanistic perception","RSC Advances","2025","15","30","24317","24330","10.1039/D5RA02843D","","","0.71073","MoKα","","0.1196","0.0602","","","0.1538","0.1822","","","","","","1.023","","","","has coordinates","301243","2025-07-12","01:36:46",""
"7250680","7.9745","0.0007","12.9911","0.001","13.0553","0.0011","90","","104.833","0.003","90","","1307.43","0.19","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H24 O4 -","- C36 H24 O4 -","- C72 H48 O8 -","2","1","","Temel, Merve; Yildiz, Gizem; Ceyhan, Kaan Berkay; Alkan, Fahri; Şahin, Onur; Türkmen, Yunus E.","Photochemical [2 + 2] cycloadditions of naphthalene acrylic acids: templated and untemplated photoreactivity, selective homo/heterodimerizations, and conformational analysis","RSC Advances","2025","15","30","24544","24556","10.1039/D5RA03698D","","","0.71073","MoKα","","0.0532","0.0408","","","0.0868","0.0925","","","","","","1.027","","","","has coordinates","301257","2025-07-15","01:25:59",""
"7250681","8.8325","0.0007","21.7745","0.0018","13.8399","0.0014","90","","102.856","0.002","90","","2595","0.4","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 O4 -","- C36 H24 O4 -","- C144 H96 O16 -","4","1","","Temel, Merve; Yildiz, Gizem; Ceyhan, Kaan Berkay; Alkan, Fahri; Şahin, Onur; Türkmen, Yunus E.","Photochemical [2 + 2] cycloadditions of naphthalene acrylic acids: templated and untemplated photoreactivity, selective homo/heterodimerizations, and conformational analysis","RSC Advances","2025","15","30","24544","24556","10.1039/D5RA03698D","","","0.71073","MoKα","","0.093","0.0503","","","0.0969","0.1122","","","","","","1.018","","","","has coordinates","301257","2025-07-15","01:26:32",""
"7250682","8.7794","0.0003","10.2396","0.0004","20.7518","0.0008","90","","90","","90","","1865.54","0.12","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 N6 O7 -","- C12 H28 N6 O7 -","- C48 H112 N24 O28 -","4","1","","Chen, Lei; Shen, Zhili; Kong, Deren; Zhang, Chong; Hu, Bingcheng; Gao, Chao","Improving the anti-hygroscopicity and safety of hydroxylamine pentazolate salt (NH3OH+N5−) by cocrystallization","CrystEngComm","2025","27","31","5312","5318","10.1039/D5CE00437C","","","1.54178","CuKα","","0.0509","0.0398","","","0.1038","0.1109","","","","","","1.043","","","","has coordinates","302575","2025-10-06","08:27:38",""
"7250683","3.7631","0.0002","14.7655","0.0007","7.6847","0.0004","90","","96.582","0.002","90","","424.18","0.04","193","","193","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- H4 N6 O -","- H4 N6 O -","- H16 N24 O4 -","4","1","","Chen, Lei; Shen, Zhili; Kong, Deren; Zhang, Chong; Hu, Bingcheng; Gao, Chao","Improving the anti-hygroscopicity and safety of hydroxylamine pentazolate salt (NH3OH+N5−) by cocrystallization","CrystEngComm","2025","27","31","5312","5318","10.1039/D5CE00437C","","","0.71073","MoKα","","0.0355","0.0293","","","0.0781","0.0813","","","","","","1.077","","","","has coordinates","302575","2025-10-06","08:27:39",""
"7250684","8.9073","0.0006","16.8666","0.0011","20.2753","0.0013","67.857","0.006","87.035","0.006","77.872","0.006","2757.2","0.3","117.95","0.1","117.95","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C3 H2 I N3 O2 -","- C3 H2 I N3 O2 -","- C54 H36 I18 N54 O36 -","18","9","","Li, Cong; Lu, Zu-jia; Zhang, Chao; Xu, Mei-qi; Zhao, Bin-shan; Yu, Qi-yao; Zhang, Jian-guo","Noncovalent synergistic-directed crystallization (NSDC): a halogen engineering strategy for multifunctional energetic crystals","CrystEngComm","2025","27","31","5346","5355","10.1039/D5CE00606F","","x-ray","0.71073","MoKα","","0.1125","0.0632","","","0.0943","0.1249","","","","","","1.037","","","","has coordinates","302576","2025-10-06","08:27:48",""
"7250685","6.84","0.0003","18.3788","0.0008","7.3602","0.0004","90","","99.49","0.004","90","","912.6","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 F2 N4 O2 -","- C8 H6 F2 N4 O2 -","- C32 H24 F8 N16 O8 -","4","1","","Li, Cong; Lu, Zu-jia; Zhang, Chao; Xu, Mei-qi; Zhao, Bin-shan; Yu, Qi-yao; Zhang, Jian-guo","Noncovalent synergistic-directed crystallization (NSDC): a halogen engineering strategy for multifunctional energetic crystals","CrystEngComm","2025","27","31","5346","5355","10.1039/D5CE00606F","","x-ray","1.54184","CuKα","","0.0386","0.0351","","","0.0941","0.0964","","","","","","1.024","","","","has coordinates","302576","2025-10-06","08:27:48",""
"7250686","8.4393","0.0004","9.9752","0.0006","16.3986","0.0008","90","","90","","90","","1380.49","0.13","296","2","296","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C14 H11 N O5 U -","- C14 H11 N O5 U -","- C56 H44 N4 O20 U4 -","4","1","","Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei","Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups","CrystEngComm","2025","27","33","5603","5612","10.1039/D5CE00556F","","","0.71073","MoKα","","0.021","0.0186","","","0.0413","0.0422","","","","","","1.09","","","","has coordinates","302572","2025-10-06","08:26:17",""
"7250687","10.7194","0.0006","13.6309","0.0008","14.1063","0.0006","66.313","0.002","70.931","0.002","80.904","0.002","1783.07","0.17","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H54 N4 O30 U5 -","- C72 H54 N4 O30 U5 -","- C72 H54 N4 O30 U5 -","1","0.5","","Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei","Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups","CrystEngComm","2025","27","33","5603","5612","10.1039/D5CE00556F","","","0.71073","MoKα","","0.065","0.0332","","","0.0545","0.0642","","","","","","1.005","","","","has coordinates","302572","2025-10-06","08:26:18",""
"7250688","9.1929","0.0014","9.9213","0.0015","10.3415","0.0014","78.599","0.006","83.835","0.006","82.331","0.007","913.1","0.2","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N3 O10 U -","- C15 H13 N3 O10 U -","- C30 H26 N6 O20 U2 -","2","1","","Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei","Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups","CrystEngComm","2025","27","33","5603","5612","10.1039/D5CE00556F","","","0.71073","MoKα","","0.0297","0.026","","","0.0601","0.062","","","","","","1.043","","","","has coordinates","302572","2025-10-06","08:26:18",""
"7250689","28.6995","0.0014","9.0816","0.0004","19.7705","0.001","90","","119.402","0.001","90","","4489.2","0.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 N6 O18 U2 -","- C42 H36 N6 O18 U2 -","- C168 H144 N24 O72 U8 -","4","0.5","","Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei","Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups","CrystEngComm","2025","27","33","5603","5612","10.1039/D5CE00556F","","","0.71073","MoKα","","0.0824","0.0486","","","0.0809","0.0906","","","","","","1.046","","","","has coordinates","302572","2025-10-06","08:26:18",""
"7250690","17.339","0.0009","7.1155","0.0004","19.8403","0.0012","90","","99.829","0.002","90","","2411.9","0.2","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H44 N4 O14 U2 -","- C56 H44 N4 O14 U2 -","- C112 H88 N8 O28 U4 -","2","0.5","","Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei","Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups","CrystEngComm","2025","27","33","5603","5612","10.1039/D5CE00556F","","","0.71073","MoKα","","0.0404","0.0281","","","0.0478","0.0508","","","","","","1.055","","","","has coordinates","302572","2025-10-06","08:26:18",""
"7250691","12.9936","0.0013","14.0664","0.0017","14.0763","0.0016","100.371","0.004","96.142","0.004","95.899","0.004","2496.5","0.5","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H34 N2 O22 U4 -","- C46 H34 N2 O22 U4 -","- C92 H68 N4 O44 U8 -","2","1","","Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei","Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups","CrystEngComm","2025","27","33","5603","5612","10.1039/D5CE00556F","","x-ray","0.71073","MoKα","","0.0209","0.0199","","","0.0441","0.0445","","","","","","1.051","","","","has coordinates,has disorder","302572","2025-10-06","08:26:18",""
"7250692","13.2864","0.0002","13.2864","0.0002","7.2865","0.0002","90","","90","","90","","1286.27","0.04","297","2","297","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","Zn-bdp","","- C12 H8 N4 O11.2 Zn -","- C12 H8 N4 O11.2 Zn -","- C24 H16 N8 O22.4 Zn2 -","2","0.125","","Shupletsov, Leonid; Schieck, Alina C.; Senkovska, Irena; Bon, Volodymyr; Kaskel, Stefan","The use of a dynamic solvent system as a novel approach to sustainable MOF crystallization","Green Chemistry","2025","27","34","10218","10233","10.1039/D5GC01029B","","x-ray","0.71073","MoKα","","0.0349","0.029","","","0.0821","0.0848","","","","","","1.102","","","","has coordinates","302703","2025-10-06","10:00:16",""
"7250693","16.3434","0.0002","16.3434","0.0002","12.5154","0.0002","90","","90","","90","","3342.95","0.08","297","2","297","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","BUT-58","","- C12 H8 N4 O0.5 Zn -","- C12 H8 N4 O0.5 Zn -","- C96 H64 N32 O4 Zn8 -","8","0.5","","Shupletsov, Leonid; Schieck, Alina C.; Senkovska, Irena; Bon, Volodymyr; Kaskel, Stefan","The use of a dynamic solvent system as a novel approach to sustainable MOF crystallization","Green Chemistry","2025","27","34","10218","10233","10.1039/D5GC01029B","","x-ray","0.71073","MoKα","","0.0339","0.032","","","0.1167","0.1179","","","","","","1.128","","","","has coordinates","302703","2025-10-06","10:00:17",""
"7250694","22","0.004","6.93","0.0014","14.76","0.003","90","","90","","90","","2250.3","0.8","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","Ni-bdp","","- C12 H8 N4 Ni O2 -","- C12 H8 N4 Ni O2 -","- C48 H32 N16 Ni4 O8 -","4","0.25","","Shupletsov, Leonid; Schieck, Alina C.; Senkovska, Irena; Bon, Volodymyr; Kaskel, Stefan","The use of a dynamic solvent system as a novel approach to sustainable MOF crystallization","Green Chemistry","2025","27","34","10218","10233","10.1039/D5GC01029B","","","0.7749","synchrotron","","0.0691","0.066","","","0.2059","0.212","","","","","","1.206","","","","has coordinates","302703","2025-10-06","10:00:17",""
"7250695","13.7854","0.0006","19.6358","0.0007","10.1873","0.0005","90","","109.428","0.005","90","","2600.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Abed14R","","","- C7 H10 I N -","- C7 H10 I N -","- C84 H120 I12 N12 -","12","3","","Afri, Michal; Gottlieb, Hugo E.; Fridman, Natalia; Saady, Abed","An NMR insight into the solvatochromic behaviour of Brooker's merocyanine dyes","RSC Advances","2025","15","31","25436","25440","10.1039/D5RA03758A","","","0.71073","MoKα","","0.0451","0.0376","","","0.0915","0.0951","","","","","","1.033","","","","has coordinates","301288","2025-07-18","01:25:39",""
"7250696","7.3941","0.001","10.5533","0.0014","17.659","0.002","90","","96.31","0.012","90","","1369.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Abed17R","","","- C14 H16 I N O -","- C14 H16 I N O -","- C56 H64 I4 N4 O4 -","4","1","","Afri, Michal; Gottlieb, Hugo E.; Fridman, Natalia; Saady, Abed","An NMR insight into the solvatochromic behaviour of Brooker's merocyanine dyes","RSC Advances","2025","15","31","25436","25440","10.1039/D5RA03758A","","","1.54184","CuKα","","0.0972","0.0798","","","0.2147","0.2404","","","","","","1.095","","","","has coordinates,has disorder","301288","2025-07-18","01:25:49",""
"7250697","25.8779","0.0006","25.8779","0.0006","11.7846","0.0005","90","","90","","90","","7891.7","0.4","100","0.1","100","0.1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C80 H76 N10 O27 Zn4 -","- C80 H76 N10 O27 Zn4 -","- C320 H304 N40 O108 Zn16 -","4","0.25","","You, Li-Xin; Wang, Xin-Yu; Li, Jin-Rong; Guo, Jie; Xiong, Gang; ding, Fu; Sun, Ya-Guang","Transformation of carbon dioxide catalyzed using an N-heterocyclic carbene copper(i)-embedded metal–organic framework","CrystEngComm","2025","27","33","5625","5632","10.1039/D5CE00627A","","x-ray","0.71073","MoKα","","0.1426","0.1196","","","0.3583","0.3892","","","","","","1.14","","","","has coordinates,has disorder","302571","2025-10-06","08:26:00",""
"7250698","12.0825","0.0008","12.7004","0.0008","12.9052","0.0008","90","","90","","90","","1980.3","0.2","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Su, Wan-Bai; Hou, Xiao-Meng; Zhang, Ling; Yan, Li; Tang, Zhi-Yang; Yu, Yang; Liu, Jin-Song; Sun, Yun-Peng; Wang, Guo-Kai","Muhenrins A–C, pimarane-type diterpenoids from Munronia henryi","RSC Advances","2025","15","31","25542","25547","10.1039/D5RA04525H","","","1.54178","CuKα","","0.0621","0.0582","","","0.1559","0.1622","","","","","","1.019","","","","has coordinates","301299","2025-07-19","01:47:04",""
"7250699","24.367","0.002","9.7487","0.0008","20.9451","0.0017","90","","108.1","0.003","90","","4729.2","0.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 Cl6 Dy N4 O5 P -","- C48 H34 Cl6 Dy N4 O5 P -","- C192 H136 Cl24 Dy4 N16 O20 P4 -","4","1","","Zhang, Kun-Hua; He, Zhi; Huang, Long; Yu, Xing-Yi; Zhao, Bingshan; Yang, Jiong; Shao, Dong","Engineering dysprosium(iii) single-ion magnets via modular synthesis with strongly axial ligands","CrystEngComm","2025","27","34","5662","5668","10.1039/D5CE00636H","","x-ray","0.71073","MoKα","","0.036","0.0296","","","0.0666","0.0698","","","","","","1.065","","","","has coordinates,has disorder","302591","2025-10-06","08:34:02",""
"7250700","24.347","0.003","9.7398","0.0011","20.919","0.002","90","","108.079","0.003","90","","4715.7","0.9","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 Cl6 Dy N4 O5 Si -","- C48 H34 Cl6 Dy N4 O5 Si -","- C192 H136 Cl24 Dy4 N16 O20 Si4 -","4","1","","Zhang, Kun-Hua; He, Zhi; Huang, Long; Yu, Xing-Yi; Zhao, Bingshan; Yang, Jiong; Shao, Dong","Engineering dysprosium(iii) single-ion magnets via modular synthesis with strongly axial ligands","CrystEngComm","2025","27","34","5662","5668","10.1039/D5CE00636H","","x-ray","0.71073","MoKα","","0.0625","0.0355","","","0.0692","0.0796","","","","","","1.001","","","","has coordinates,has disorder","302591","2025-10-06","08:34:12",""
"7250701","12.463","0.003","17.373","0.004","21.406","0.004","101.92","0.03","95.66","0.03","101.39","0.03","4398.4","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C203 H135 Co4 N48 O5 S8 -","- C203 H135 Co4 N48 O5 S8 -","- C203 H135 Co4 N48 O5 S8 -","1","0.5","","Sangrador-Pérez, Jorge; Jiménez-Hernández, Patricia; Hernández, Mar García; Sañudo, E. Carolina; Costa, Jose Sanchez; Resines-Urien, Esther","Colorimetric and luminescent sensing of DMF by crystalline non-porous pyrene-based coordination compounds","CrystEngComm","2025","27","31","5286","5291","10.1039/D5CE00600G","","","0.72931","Synchrotron","","0.0956","0.0727","","","0.2016","0.2244","","","","","","1.047","","","","has coordinates","302574","2025-10-06","08:27:23",""
"7250702","16.672","0.0019","5.8717","0.0006","20.995","0.003","90","","94.852","0.005","90","","2047.9","0.4","298","","298","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C23 H19 N3 O2 S -","- C23 H19 N3 O2 S -","- C92 H76 N12 O8 S4 -","4","1","","Kaur, Kamalpreet; Verma, Harkomal; Gangwar, Prabhakar; Dhiman, Monisha; Jaitak, Vikas","Design, Synthesis and Biological Evaluation of Novel bis (indolyl)-Tetrazine Derivatives as Anti-Breast Cancer Agents","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00297D","","x-ray","0.71073","MoKα","","0.1008","0.0531","","","0.1089","0.133","","","","","","1.029","","","","has coordinates","301347","2025-07-24","00:26:39",""
"7250703","14.5393","0.0006","7.7694","0.0003","17.4897","0.0008","90","","94.017","0.002","90","","1970.81","0.14","193","","193","","","","","","","","","6","P 1 n 1","P -2yac","7","","Ni-TSC-COOH","","- C34 H52 N10 Ni O4 S2 -","- C34 H52 N10 Ni O4 S2 -","- C68 H104 N20 Ni2 O8 S4 -","2","1","","Gu, Yu-Hao; Xu, Xinyu; Zhu, Chenyu; Luo, Rengan; Yuan, Shuai","Stepwise assembly of Ni–N2S2 catalytic sites and porphyrin photosensitizers in a metal–organic framework for bioinspired photocatalysis","CrystEngComm","2025","27","35","5841","5847","10.1039/D5CE00634A","","","0.71073","MoKα","","0.056","0.0492","","","0.1179","0.1243","","","","","","1.058","","","","has coordinates,has disorder","302587","2025-10-06","08:33:05",""
"7250704","19.9774","0.0009","11.3313","0.0006","8.0463","0.0003","90","","109.438","0.002","90","","1717.62","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 N2 O9 Zn -","- C14 H17 N2 O9 Zn -","- C56 H68 N8 O36 Zn4 -","4","0.5","","Shabangu, Samuel M.; Eaby, Alan C.; Croitor, Lilia; Bezrukov, Andrey A.; Zaworotko, Michael J.","Water vapour sorption properties of a family of square lattice topology porous coordination networks.","CrystEngComm","2025","27","34","5669","5675","10.1039/d5ce00385g","","","0.71073","MoKα","","0.0979","0.0545","","","0.1076","0.1249","","","","","","1.013","","","","has coordinates,has disorder","302590","2025-10-06","08:33:48",""
"7250705","19.654","0.003","11.4262","0.0014","7.961","0.0009","90","","112.118","0.005","90","","1656.2","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N2 O8 Zn -","- C14 H18 N2 O8 Zn -","- C56 H72 N8 O32 Zn4 -","4","0.5","","Shabangu, Samuel M.; Eaby, Alan C.; Croitor, Lilia; Bezrukov, Andrey A.; Zaworotko, Michael J.","Water vapour sorption properties of a family of square lattice topology porous coordination networks.","CrystEngComm","2025","27","34","5669","5675","10.1039/d5ce00385g","","","0.71075","MoKα","","0.1457","0.0722","","","0.145","0.1664","","","","","","1.022","","","","has coordinates,has disorder","302590","2025-10-06","08:33:49",""
"7250706","8.6985","0.0002","12.5843","0.0004","15.8735","0.0005","84.8","0.001","79.432","0.001","88.07","0.001","1700.82","0.09","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 Cl4 N4 Zn -","- C10 H18 Cl4 N4 Zn -","- C40 H72 Cl16 N16 Zn4 -","4","2","","Hempel, Jacob L.; Wells, Michael D.; Parkin, Sean; Cheng, Yang-Tse; Huckaba, Aron J.","Understanding the relationship between the crystal structure elastic–plastic properties of discrete-molecule organic–inorganic halide perovskites","CrystEngComm","2025","27","34","5743","5751","10.1039/D5CE00716J","","","0.71073","MoKα","","0.0204","0.0187","","","0.0453","0.046","","","","","","1.056","","","","has coordinates,has disorder","302588","2025-10-06","08:33:18",""
"7250707","12.9534","0.0004","8.1094","0.0002","14.0848","0.0005","90","","91.692","0.001","90","","1478.88","0.08","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cl4 N4 Zn -","- C8 H14 Cl4 N4 Zn -","- C32 H56 Cl16 N16 Zn4 -","4","1","","Hempel, Jacob L.; Wells, Michael D.; Parkin, Sean; Cheng, Yang-Tse; Huckaba, Aron J.","Understanding the relationship between the crystal structure elastic–plastic properties of discrete-molecule organic–inorganic halide perovskites","CrystEngComm","2025","27","34","5743","5751","10.1039/D5CE00716J","","","0.71073","MoKα","","0.0299","0.0222","","","0.049","0.0516","","","","","","1.036","","","","has coordinates","302588","2025-10-06","08:33:18",""
"7250708","11.7103","0.0002","9.7878","0.0002","15.3735","0.0004","90","","95.455","0.002","90","","1754.1","0.07","301.2","0.1","301.2","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O S2 -","- C21 H18 O S2 -","- C84 H72 O4 S8 -","4","1","","Yuan, Yong; Bai, Chunyan; Tao, Yuyan; Zhang, Ya-Nan; Bao, Xiazhen; Ji, Dongsheng; Wang, Liwei; Qi, Xiaotian; Huo, Congde","Electrochemical ring-opening oxidation of aryl thianthrenium salts","Green Chemistry","2025","27","32","9777","9786","10.1039/D5GC02103K","","x-ray","1.54184","CuKα","","0.04","0.0366","","","0.0962","0.0985","","","","","","1.081","","","","has coordinates","302700","2025-10-06","09:59:07",""
"7250709","14.712","0.0002","9.99449","0.00019","21.0468","0.0004","90","","90","","90","","3094.7","0.09","150.01","0.1","150.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H28 O4 S4 -","- C36 H28 O4 S4 -","- C144 H112 O16 S16 -","4","1","","Yuan, Yong; Bai, Chunyan; Tao, Yuyan; Zhang, Ya-Nan; Bao, Xiazhen; Ji, Dongsheng; Wang, Liwei; Qi, Xiaotian; Huo, Congde","Electrochemical ring-opening oxidation of aryl thianthrenium salts","Green Chemistry","2025","27","32","9777","9786","10.1039/D5GC02103K","","x-ray","1.54184","CuKα","","0.0297","0.0288","","","0.0774","0.0783","","","","","","1.059","","","","has coordinates","302700","2025-10-06","09:59:08",""
"7250710","10.0669","0.0016","8.2576","0.0013","20.7","0.003","90","","91.747","0.007","90","","1720","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H52 F N5 O4 -","- C30 H52 F N5 O4 -","- C60 H104 F2 N10 O8 -","2","0.5","","Hassan, Elsayed; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Bis-urea anion receptors: influence of receptor structure and anion nature on binding affinity and stability","RSC Advances","2025","15","33","26623","26631","10.1039/D5RA04446D","","","0.71075","MoKα","","0.0779","0.046","","","0.1095","0.122","","","","","","1.023","","","","has coordinates","301390","2025-07-29","01:43:50",""
"7250711","38.788","0.003","4.5685","0.0004","11.1314","0.001","90","","90","","90","","1972.5","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H16 N6 O6 -","- C20 H16 N6 O6 -","- C80 H64 N24 O24 -","4","1","","Hassan, Elsayed; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Bis-urea anion receptors: influence of receptor structure and anion nature on binding affinity and stability","RSC Advances","2025","15","33","26623","26631","10.1039/D5RA04446D","","","0.71075","MoKα","","0.1371","0.0601","","","0.0981","0.1193","","","","","","0.958","","","","has coordinates","301390","2025-07-29","01:44:27",""
"7250712","18.4683","0.001","12.2887","0.0008","8.9483","0.0006","90","","101.464","0.007","90","","1990.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N6 O6 -","- C20 H16 N6 O6 -","- C80 H64 N24 O24 -","4","1","","Hassan, Elsayed; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Bis-urea anion receptors: influence of receptor structure and anion nature on binding affinity and stability","RSC Advances","2025","15","33","26623","26631","10.1039/D5RA04446D","","","0.71075","MoKα","","0.0956","0.0524","","","0.1184","0.1343","","","","","","1.011","","","","has coordinates","301390","2025-07-29","01:44:43",""
"7250713","5.19055","0.00019","5.19055","0.00019","11.151","0.006","90","","90","","120","","260.18","0.14","293","2","293","2","5650000","50000","5650000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0255","0.0253","","","0.0722","0.0722","","","","","","1.276","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250714","5.1506","0.0005","5.1506","0.0005","10.696","0.018","90","","90","","120","","245.7","0.4","293","2","293","2","9120000","50000","9120000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0235","0.0232","","","0.0717","0.0719","","","","","","1.22","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250715","5.1237","0.0006","5.1237","0.0006","10.62","0.02","90","","90","","120","","241.4","0.5","293","2","293","2","10890000","50000","10890000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0327","0.0316","","","0.0892","0.0893","","","","","","1.266","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250716","5.1774","0.0002","5.1774","0.0002","10.969","0.007","90","","90","","120","","254.64","0.16","293","2","293","2","6900000","50000","6900000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0244","0.0243","","","0.0741","0.0741","","","","","","1.285","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250717","5.1364","0.0006","5.1364","0.0006","10.63","0.02","90","","90","","120","","242.9","0.5","293","2","293","2","10010000","50000","10010000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0275","0.0271","","","0.0681","0.0681","","","","","","1.222","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250718","5.1636","0.0003","5.1636","0.0003","10.89","0.009","90","","90","","120","","251.5","0.2","293","2","293","2","7650000","50000","7650000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0221","0.022","","","0.0635","0.0635","","","","","","1.295","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250719","5.1218","0.0007","5.1218","0.0007","10.55","0.02","90","","90","","120","","239.7","0.5","293","2","293","2","11710000","50000","11710000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0401","0.038","","","0.1165","0.1169","","","","","","1.181","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250720","5.2708","0.0003","5.2708","0.0003","9.089","0.01","90","","90","","120","","218.7","0.2","293","2","293","2","290000","50000","290000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0218","0.0186","","","0.05","0.0503","","","","","","1.227","","","","has coordinates","302581","2025-10-06","08:30:43",""
"7250721","5.1888","0.0004","5.1888","0.0004","8.136","0.01","90","","90","","120","","189.7","0.2","293","2","293","2","7220000","50000","7220000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0255","0.0236","","","0.053","0.0531","","","","","","1.312","","","","has coordinates","302581","2025-10-06","08:30:43",""
"7250722","5.1471","0.0018","5.1471","0.0018","7.94","0.04","90","","90","","120","","182.2","0.9","293","2","293","2","10780000","50000","10780000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0568","0.0481","","","0.1325","0.1401","","","","","","1.202","","","","has coordinates","302581","2025-10-06","08:30:43",""
"7250723","5.2685","0.0003","5.2685","0.0003","9.02","0.008","90","","90","","120","","216.83","0.19","293","2","293","2","560000","50000","560000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0212","0.02","","","0.055","0.0553","","","","","","1.287","","","","has coordinates","302581","2025-10-06","08:30:43",""
"7250724","5.1738","0.0011","5.1738","0.0011","8.3","0.03","90","","90","","120","","192.4","0.7","293","2","293","2","6120000","50000","6120000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0752","0.0716","","","0.1882","0.1918","","","","","","1.362","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250725","5.163","0.0008","5.163","0.0008","8.04","0.02","90","","90","","120","","185.6","0.5","293","2","293","2","10550000","50000","10550000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0626","0.0578","","","0.1466","0.1485","","","","","","1.128","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250726","5.1848","0.0006","5.1848","0.0006","8.186","0.012","90","","90","","120","","190.6","0.3","293","2","293","2","8050000","50000","8050000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.4957","synchrotron","","0.0368","0.0278","","","0.0656","0.0676","","","","","","1.142","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250727","5.2662","0.0006","5.2662","0.0006","8.629","0.018","90","","90","","120","","207.2","0.4","293","2","293","2","3250000","50000","3250000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0333","0.0312","","","0.0744","0.0749","","","","","","1.159","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250728","5.2896","0.0006","5.2896","0.0006","9.018","0.015","90","","90","","120","","218.5","0.4","293","2","293","2","960000","5000","960000","5000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0449","0.0439","","","0.1216","0.1218","","","","","","1.213","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250729","5.26981","0.00014","5.26981","0.00014","12.545","0.005","90","","90","","120","","301.71","0.12","293","2","293","2","190000","50000","190000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.4956","synchrotron","","0.0306","0.0304","","","0.0844","0.0845","","","","","","1.277","","","","has coordinates,has disorder","302581","2025-10-06","08:30:44",""
"7250730","5.2676","0.00014","5.2676","0.00014","12.532","0.005","90","","90","","120","","301.15","0.12","293","2","293","2","260000","50000","260000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.4956","synchrotron","","0.0249","0.0248","","","0.072","0.0721","","","","","","1.235","","","","has coordinates,has disorder","302581","2025-10-06","08:30:44",""
"7250731","5.1698","0.0011","5.1698","0.0011","8","0.03","90","","90","","120","","185.2","0.7","293","2","293","2","9330000","50000","9330000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0418","0.0376","","","0.107","0.1082","","","","","","1.119","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250732","5.12","0.003","5.12","0.003","7.84","0.07","90","","90","","120","","178","1.6","293","2","293","2","12800000","50000","12800000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0965","0.0748","","","0.2113","0.2383","","","","","","1.249","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250733","5.045","0.004","5.045","0.004","7.94","0.13","90","","90","","120","","175","3","293","2","293","2","14760000","50000","14760000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.2211","0.1798","","","0.4386","0.5054","","","","","","1.737","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250734","5.191","0.0008","5.191","0.0008","8.058","0.017","90","","90","","120","","188","0.4","293","2","293","2","9160000","50000","9160000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.056","0.0446","","","0.1455","0.1667","","","","","","1.361","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250735","5.2057","0.0007","5.2057","0.0007","8.103","0.015","90","","90","","120","","190.2","0.4","293","2","293","2","8200000","50000","8200000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0621","0.0495","","","0.1444","0.1689","","","","","","1.357","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250736","5.1768","0.0007","5.1768","0.0007","8.138","0.02","90","","90","","120","","188.9","0.5","293","2","293","2","8680000","50000","8680000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0551","0.0496","","","0.1228","0.1242","","","","","","1.213","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250737","5.1794","0.0013","5.1794","0.0013","8.2","0.03","90","","90","","120","","190.5","0.7","293","2","293","2","9190000","50000","9190000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0666","0.0601","","","0.1352","0.1368","","","","","","1.126","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250738","5.217","0.0009","5.217","0.0009","8.24","0.02","90","","90","","120","","194.2","0.5","293","2","293","2","7120000","50000","7120000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0311","0.0285","","","0.0755","0.0759","","","","","","1.269","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250739","5.26449","0.00019","5.26449","0.00019","8.782","0.005","90","","90","","120","","210.78","0.12","293","2","293","2","2340000","50000","2340000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0486","0.0459","","","0.106","0.1068","","","","","","1.08","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250740","5.1827","0.0009","5.1827","0.0009","8.14","0.02","90","","90","","120","","189.4","0.5","293","2","293","2","9640000","50000","9640000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0425","0.0393","","","0.098","0.0984","","","","","","1.266","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250741","5.1683","0.0013","5.1683","0.0013","8.11","0.03","90","","90","","120","","187.6","0.7","293","2","293","2","10440000","50000","10440000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0363","0.0312","","","0.0908","0.0915","","","","","","1.199","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250742","5.2602","0.0006","5.2602","0.0006","8.527","0.017","90","","90","","120","","204.3","0.4","293","2","293","2","3940000","50000","3940000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0389","0.0372","","","0.0934","0.0941","","","","","","1.155","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250743","5.2037","0.0006","5.2037","0.0006","8.405","0.016","90","","90","","120","","197.1","0.4","293","2","293","2","5680000","50000","5680000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0274","0.0248","","","0.0612","0.0616","","","","","","1.287","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250744","5.28426","0.00019","5.28426","0.00019","9.181","0.006","90","","90","","120","","222.02","0.15","293","2","293","2","620000","5000","620000","5000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0321","0.0311","","","0.0835","0.0838","","","","","","1.278","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250745","5.2909","0.0006","5.2909","0.0006","8.918","0.014","90","","90","","120","","216.2","0.3","293","2","293","2","1320000","50000","1320000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0496","0.0483","","","0.1299","0.1305","","","","","","1.148","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250746","5.28876","0.00017","5.28876","0.00017","9.354","0.005","90","","90","","120","","226.59","0.12","293","2","293","2","100","5","100","5","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0297","0.028","","","0.0738","0.0748","","","","","","1.128","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250747","5.2163","0.0002","5.2163","0.0002","11.509","0.005","90","","90","","120","","271.2","0.12","293","2","293","2","3590000","50000","3590000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.4956","synchrotron","","0.0303","0.0303","","","0.0907","0.0907","","","","","","1.231","","","","has coordinates,has disorder","302581","2025-10-06","08:30:44",""
"7250748","5.2567","0.00013","5.2567","0.00013","12.24","0.005","90","","90","","120","","292.91","0.12","293","2","293","2","950000","50000","950000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0216","0.0215","","","0.0643","0.0643","","","","","","1.243","","","","has coordinates,has disorder","302581","2025-10-06","08:30:44",""
"7250749","5.19615","0.00014","5.19615","0.00014","11.199","0.005","90","","90","","120","","261.86","0.12","293","2","293","2","5280000","50000","5280000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0318","0.0317","","","0.1072","0.1072","","","","","","1.304","","","","has coordinates,has disorder","302581","2025-10-06","08:30:44",""
"7250750","33.015","0.002","9.738","0.0006","18.1598","0.001","90","","95.296","0.003","90","","5813.5","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 N2 O16 Zn3 -","- C36 H32 N2 O16 Zn3 -","- C144 H128 N8 O64 Zn12 -","4","0.5","","Zeeshan, Mohd; Khan, Mohammad Yasir; Shahid, M.; Khalid Parvez, Mohammad; Li, Xiang","Tailored nanoporous composite of a bimetallic Zn-based MOF featuring two rare-metal geometries for organic dye sequestration: a mechanistic and kinetic insight into wastewater remediation","CrystEngComm","2025","27","36","5989","6008","10.1039/D5CE00684H","","","0.71073","MoKα","","0.0583","0.0541","","","0.1473","0.1524","","","","","","1.0427","","","","has coordinates","302577","2025-10-06","08:28:06",""
"7250751","7.9481","0.0008","12.8917","0.0016","17.71","0.002","90","","90","","90","","1814.6","0.4","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Ahamad, Jarish; Khatua, Rashmi Ranjan; Khan, Faiz Ahmed","Lewis acid-promoted intramolecular cyclization of ortho-prenylated chalcones: application to first total synthesis of (±) involucrasin C and its novel analogues","RSC Advances","2025","15","33","27254","27259","10.1039/D5RA04830C","","","0.71073","MoKα","","0.0902","0.0452","","","0.0864","0.1033","","","","","","1.051","","","","has coordinates","301426","2025-08-01","01:21:35",""
"7250752","5.9062","0.0008","14.2368","0.0019","23.85","0.003","104.078","0.005","95.959","0.005","95.907","0.005","1917.5","0.4","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H46 O6 -","- C48 H46 O6 -","- C96 H92 O12 -","2","1","","Ahamad, Jarish; Khatua, Rashmi Ranjan; Khan, Faiz Ahmed","Lewis acid-promoted intramolecular cyclization of ortho-prenylated chalcones: application to first total synthesis of (±) involucrasin C and its novel analogues","RSC Advances","2025","15","33","27254","27259","10.1039/D5RA04830C","","","0.71073","MoKα","","0.154","0.0565","","","0.1164","0.1589","","","","","","1.008","","","","has coordinates","301426","2025-08-01","01:21:36",""
"7250753","19.3314","0.0003","19.3314","0.0003","20.9001","0.0006","90","","90","","120","","6764","0.2","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C72 H46 O23 S8 Zn4 -","- C72 H46 O23 S8 Zn4 -","- C216 H138 O69 S24 Zn12 -","3","0.5","","Wang, Yingchao; Miao, Xiaohe; Sun, Lei","Morphological control of a metal–organic framework for single-crystal electronic device fabrication","CrystEngComm","2025","27","35","5848","5854","10.1039/D5CE00534E","","","0.71073","MoKα","","0.0566","0.0538","","","0.1731","0.177","","","","","","1.091","","","","has coordinates,has disorder","302585","2025-10-06","08:32:44",""
"7250754","9.144","0.0007","32.017","0.003","18.9187","0.0019","90","","91.622","0.004","90","","5536.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H86 N4 O25 S8 -","- C84 H86 N4 O25 S8 -","- C168 H172 N8 O50 S16 -","2","0.5","","Wang, Yingchao; Miao, Xiaohe; Sun, Lei","Morphological control of a metal–organic framework for single-crystal electronic device fabrication","CrystEngComm","2025","27","35","5848","5854","10.1039/D5CE00534E","","","1.34139","GaKα","","0.1092","0.0947","","","0.2796","0.2905","","","","","","0.994","","","","has coordinates,has disorder","302585","2025-10-06","08:32:44",""
"7250755","14.369","0.003","12.237","0.003","14.727","0.004","90","","94.916","0.004","90","","2580","1.1","296","2","296.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H37 Co Cu N10 O6 -","- C16 H37 Co Cu N10 O6 -","- C64 H148 Co4 Cu4 N40 O24 -","4","0.5","","Cai, Qi-Juan; Ma, Lu-Yao; Zhang, Kun-Hua; Dong, Fu-Wan; Sun, Ao-Na; Yang, Jiong; Shao, Dong","A highly hydrogen-bonded {Cu2Co} cyanide complex exhibiting high room-temperature proton conduction","CrystEngComm","2025","27","35","5788","5792","10.1039/D5CE00674K","","","0.71073","MoKα","","0.1113","0.0987","","","0.2819","0.2969","","","","","","1.057","","","","has coordinates,has disorder","302582","2025-10-06","08:31:35",""
"7250756","32.44","0.003","32.44","0.003","7.5934","0.0005","90","","90","","120","","6920.4","1","100.15","","100.15","","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C15.75 H18.25 N5.75 O8.75 Zn -","- C14 H10 N3 O3.75 Zn -","- C168 H120 N36 O45 Zn12 -","12","1","","Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L.","Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control","RSC Advances","2025","15","34","27531","27543","10.1039/D5RA02649K","","","1.54187","CuKα","","0.1225","0.0806","","","0.2244","0.2748","","","","","","1.152","","","","has coordinates","301437","2025-08-02","01:20:55",""
"7250757","32.499","0.002","32.499","0.002","7.7152","0.0004","90","","90","","120","","7057","0.7","100.15","","100.15","","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","di-Zinc-4,4'-(carbonylbis(azanediyl))dibenzoate;1,3-di(pyridin-4-yl)urea;hemioxide","","- C18.84 H15.84 N3.82 O4.92 Zn -","- C13 H10 N3 O3.25 Zn -","- C156 H120 N36 O39 Zn12 -","12","1","","Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L.","Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control","RSC Advances","2025","15","34","27531","27543","10.1039/D5RA02649K","","","1.54187","CuKα","","0.0627","0.0468","","","0.1194","0.1248","","","","","","1.013","","","","has coordinates","301437","2025-08-02","01:20:57",""
"7250758","27.5833","0.0003","27.5833","0.0003","14.4559","0.0003","90","","90","","90","","10998.6","0.3","294","","294","2","","","","","","","","5","P 42/n :2","-P 4bc","86","UA-2","di-Zinc-4,4'-(carbonylbis(azanediyl))dibenzoate;1,3-di(pyridin-4-yl)urea","","- C45.62 H63.17 N9.92 O9.92 Zn -","- C26 H20 N6 O6 Zn -","- C208 H160 N48 O48 Zn8 -","8","1","","Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L.","Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control","RSC Advances","2025","15","34","27531","27543","10.1039/D5RA02649K","","x-ray","1.54184","CuKα","","0.0646","0.0558","","","0.1942","0.204","","","","","","1.104","","","","has coordinates","301437","2025-08-02","01:20:57",""
"7250759","18.5503","0.0003","14.385","0.0002","22.7569","0.0004","90","","110.553","0.002","90","","5686.06","0.17","100.2","0.6","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","UA-1","di-Zinc-4,4'-(carbonylbis(azanediyl))dibenzoate;1,3-di(pyridin-4-yl)urea;diethylformamide;water","","- C47.88 H69.12 N10.38 O13.75 Zn -","- C36 H43 N8 O9 Zn -","- C144 H172 N32 O36 Zn4 -","4","1","","Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L.","Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control","RSC Advances","2025","15","34","27531","27543","10.1039/D5RA02649K","","x-ray","1.54184","CuKα","","0.0749","0.0711","","","0.2025","0.2058","","","","","","1.065","","","","has coordinates,has disorder","301437","2025-08-02","01:20:57",""
"7250760","32.48","0.003","32.48","0.003","7.692","0.0005","90","","90","","120","","7027.5","1","99.99","0.1","100.15","","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","di-Zinc-4,4'-(carbonylbis(azanediyl))dibenzoate;1,3-di(pyridin-4-yl)urea;hemioxide","","- C13.71 H11.42 I1.42 N3 O3.25 Zn -","- C13.5 H10 N3 O3.25 Zn -","- C162 H120 N36 O39 Zn12 -","12","1","","Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L.","Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control","RSC Advances","2025","15","34","27531","27543","10.1039/D5RA02649K","","","1.54187","CuKα","","0.1291","0.1125","","","0.2554","0.2747","","","","","","1.281","","","","has coordinates","301437","2025-08-02","01:20:58",""
"7250761","32.482","0.001","32.482","0.001","7.6302","0.0002","90","","90","","120","","6971.9","0.4","99.99","0.1","100.15","","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","di-Zinc-4,4'-(carbonylbis(azanediyl))dibenzoate;1,3-di(pyridin-4-yl)urea;hemioxide","","- C18.25 H21.55 N4.05 O4.3 Zn -","- C13 H10 N3 O3.25 Zn -","- C156 H120 N36 O39 Zn12 -","12","1","","Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L.","Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control","RSC Advances","2025","15","34","27531","27543","10.1039/D5RA02649K","","","1.54187","CuKα","","0.0497","0.0404","","","0.111","0.1168","","","","","","1.021","","","","has coordinates","301437","2025-08-02","01:20:58",""
"7250762","32.282","0.0012","32.282","0.0012","7.5334","0.0004","90","","90","","120","","6799","0.5","100","0.1","100","0.1","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","di-Zinc-4,4'-(carbonylbis(azanediyl))dibenzoate;1,3-di(pyridin-4-yl)urea;hemioxide","","- C20.33 H16.42 N3.92 O5.08 Zn -","- C13 H10 N3 O3.25 Zn -","- C156 H120 N36 O39 Zn12 -","12","1","","Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L.","Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control","RSC Advances","2025","15","34","27531","27543","10.1039/D5RA02649K","","","1.54187","CuKα","","0.0566","0.043","","","0.1183","0.1246","","","","","","0.998","","","","has coordinates","301437","2025-08-02","01:20:58",""
"7250763","32.2989","0.0008","32.2989","0.0008","7.56433","0.00019","90","","90","","120","","6834","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","di-Zinc-4,4'-(carbonylbis(azanediyl))dibenzoate;1,3-di(pyridin-4-yl)urea;hemioxide","","- C19.67 H24.67 N4.33 O4.58 Zn -","- C13 H10 N3 O3.25 Zn -","- C156 H120 N36 O39 Zn12 -","12","1","","Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L.","Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control","RSC Advances","2025","15","34","27531","27543","10.1039/D5RA02649K","","x-ray","1.54184","CuKα","","0.0421","0.0355","","","0.0878","0.0903","","","","","","0.9881","","","","has coordinates","301437","2025-08-02","01:20:58",""
"7250764","32.347","0.003","32.347","0.003","7.5375","0.001","90","","90","","120","","6830.1","1.3","100","2","100.15","","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","di-Zinc-4,4'-(carbonylbis(azanediyl))dibenzoate;1,3-di(pyridin-4-yl)urea;hemioxide","","- C61 H67 N21 O31 Zn4 -","- C52 H40 N12 O13 Zn4 -","- C156 H120 N36 O39 Zn12 -","3","0.25","","Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L.","Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control","RSC Advances","2025","15","34","27531","27543","10.1039/D5RA02649K","","","1.54178","CuKα","","0.022","0.0214","","","0.0586","0.0589","","","","","","1.021","","","","has coordinates","301437","2025-08-02","01:20:58",""
"7250765","32.3158","0.0011","32.3158","0.0011","7.5571","0.0005","90","","90","","120","","6834.6","0.6","100","2","100","","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","di-Zinc-4,4'-(carbonylbis(azanediyl))dibenzoate;1,3-di(pyridin-4-yl)urea;hemioxide","","- C13.63 H11.25 I1.25 N3 O3.25 Zn -","- C13 H10 N3 O3.25 Zn -","- C156 H120 N36 O39 Zn12 -","12","1","","Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L.","Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control","RSC Advances","2025","15","34","27531","27543","10.1039/D5RA02649K","","","1.54178","CuKα","","0.0287","0.028","","","0.0777","0.0786","","","","","","1.0224","","","","has coordinates","301437","2025-08-02","01:20:59",""
"7250766","8.0223","0.0008","29.704","0.003","10.4353","0.0011","90","","107.35","0.004","90","","2373.5","0.4","300","2","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 I N O6 S -","- C23 H22 I N O6 S -","- C92 H88 I4 N4 O24 S4 -","4","1","","Sivanantham, Mathiyazhagan; Jacob Stanley, Jenis; Muthu, Kesavan; Velmathi, Sivan; Senadi, Gopal Chandru; Ramasamy, Mohankumar","Radical cascade cyclization of amino acid-tethered 1,6-enynones with sulfonyl hydrazides for N-terminal modification: synthesis of functionalized succinimide derivatives","RSC Advances","2025","15","34","27486","27492","10.1039/D5RA04754D","","","0.71073","MoKα","","0.107","0.07","","","0.138","0.1523","","","","","","1.148","","","","has coordinates,has disorder","301438","2025-08-02","01:22:02",""
"7250767","24.9634","","24.9634","","24.9634","","90","","90","","90","","15556.5","","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al57.6 K56.27802 O389.0341 Si134.4 -","- Al57.6 K56.272 O389.024 Si134.4 -","- Al57.6 K56.272 O389.024 Si134.4 -","1","0.00520833","","Chaib Draa, Yacine Malik; Örs, Taylan; Deroche, Irena; Dejoie, Catherine; Paillaud, Jean-Louis","3D ED for the localization of cations in potassium exchanged and partially dehydrated nano Y zeolite","CrystEngComm","2025","27","30","5095","5099","10.1039/D5CE00520E","","electron","0.02508","electron","","0.4321","0.11","","","0.1965","0.2404","","","","3.3645","3.3645","1.4499","","","","has coordinates","301445","2025-08-04","10:57:25",""
"7250768","24.8816","0.00003","24.8816","","24.8816","","90","","90","","90","","15404","0.019","","","300","","","","100","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al0.6 K0.593 O4.04 Si1.4 -","- Al0.6 K0.59255 O4.04033 Si1.4 -","- Al57.6 K56.8848 O387.872 Si134.4 -","96","0.5","","Chaib Draa, Yacine Malik; Örs, Taylan; Deroche, Irena; Dejoie, Catherine; Paillaud, Jean-Louis","3D ED for the localization of cations in potassium exchanged and partially dehydrated nano Y zeolite","CrystEngComm","2025","27","30","5095","5099","10.1039/D5CE00520E","powder diffraction","x-ray","0.35442","","","","","","","0.04029","","0.06627","","4.074","","","","","","","has coordinates","301445","2025-08-04","10:57:25",""
"7250769","7.5109","0.0001","33.5396","0.0004","25.1881","0.0003","90","","92.803","0.001","90","","6337.61","0.14","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C4-4DP","","","- C42 H40 N2 O2 -","- C42 H40 N2 O2 -","- C336 H320 N16 O16 -","8","2","","Wang, Ruixin; Yang, Puxi; Chen, Huizhi; Lan, Songming; Li, Haoyu; Fan, Wei; Gao, Guangpeng; Li, Xiaofang","Effects of diphenyl-vinyl-substituted diketopyrrolopyrrole isomers on stacking and luminescence.","RSC advances","2025","15","29","23681","23686","10.1039/d5ra03935e","","","1.54184","CuKα","","0.0574","0.0466","","","0.1298","0.1382","","","","","","1.04","","","","has coordinates","301468","2025-08-05","16:41:57",""
"7250770","29.8626","0.0008","9.882","0.0002","31.4686","0.0007","90","","107.653","0.002","90","","8849.2","0.4","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H57 Cl3 N2 O2 -","- C51 H57 Cl3 N2 O2 -","- C408 H456 Cl24 N16 O16 -","8","2","","Wang, Ruixin; Yang, Puxi; Chen, Huizhi; Lan, Songming; Li, Haoyu; Fan, Wei; Gao, Guangpeng; Li, Xiaofang","Effects of diphenyl-vinyl-substituted diketopyrrolopyrrole isomers on stacking and luminescence.","RSC advances","2025","15","29","23681","23686","10.1039/d5ra03935e","","x-ray","1.54184","CuKα","","0.1432","0.1069","","","0.2811","0.296","","","","","","1.782","","","","has coordinates","301468","2025-08-05","16:41:59",""
"7250771","14.8338","0.0007","8.9317","0.0003","12.4283","0.0005","90","","98.816","0.004","90","","1627.18","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N O -","- C21 H20 N O -","- C84 H80 N4 O4 -","4","1","","Wang, Ruixin; Yang, Puxi; Chen, Huizhi; Lan, Songming; Li, Haoyu; Fan, Wei; Gao, Guangpeng; Li, Xiaofang","Effects of diphenyl-vinyl-substituted diketopyrrolopyrrole isomers on stacking and luminescence.","RSC advances","2025","15","29","23681","23686","10.1039/d5ra03935e","","x-ray","0.71073","MoKα","","0.0997","0.0795","","","0.2265","0.2521","","","","","","1.111","","","","has coordinates","301468","2025-08-05","16:42:00",""
"7250772","20.5422","0.0007","20.5422","0.0007","7.9574","0.0005","90","","90","","120","","2908","0.2","298","","298","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C36 H60 N14 -","- C36 H58.6662 N14 -","- C108 H175.999 N42 -","3","0.166667","","Geng, Shuai; He, Yu-Ou; Han, Wang-Kang; Gu, Zhi-Guo","π-Stacked organic frameworks with captured ammonia for benzamide synthesis","CrystEngComm","2025","27","36","6074","6078","10.1039/D5CE00604J","","","0.71073","MoKα","","0.09","0.0684","","","0.191","0.2148","","","","","","1.117","","","","has coordinates,has disorder","302580","2025-10-06","08:29:45",""
"7250773","9.9196","0.0019","4.7031","0.0008","11.861","0.002","90","","96.888","0.008","90","","549.36","0.17","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O2 -","- C10 H12 N4 O2 -","- C20 H24 N8 O4 -","2","0.5","","Geng, Shuai; He, Yu-Ou; Han, Wang-Kang; Gu, Zhi-Guo","π-Stacked organic frameworks with captured ammonia for benzamide synthesis","CrystEngComm","2025","27","36","6074","6078","10.1039/D5CE00604J","","","0.71073","MoKα","","0.0393","0.0349","","","0.0965","0.1","","","","","","1.095","","","","has coordinates","302580","2025-10-06","08:29:47",""
"7250774","9.2232","0.001","14.7495","0.0015","7.6284","0.0008","90","","90","","90","","1037.75","0.19","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","","Geng, Shuai; He, Yu-Ou; Han, Wang-Kang; Gu, Zhi-Guo","π-Stacked organic frameworks with captured ammonia for benzamide synthesis","CrystEngComm","2025","27","36","6074","6078","10.1039/D5CE00604J","","","0.71073","MoKα","","0.0402","0.0376","","","0.0976","0.1006","","","","","","1.069","","","","has coordinates","302580","2025-10-06","08:29:47",""
"7250775","7.6005","0.001","18.3331","0.0017","8.5191","0.0011","90","","90","","90","","1187.1","0.2","298","2","298","2","","","","","","","","3","I m a 2","I 2 -2a","46","","","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","0.5","","Geng, Shuai; He, Yu-Ou; Han, Wang-Kang; Gu, Zhi-Guo","π-Stacked organic frameworks with captured ammonia for benzamide synthesis","CrystEngComm","2025","27","36","6074","6078","10.1039/D5CE00604J","","","1.54178","Cukα","","0.0461","0.0381","","","0.0967","0.1024","","","","","","1.058","","","","has coordinates","302580","2025-10-06","08:29:47",""
"7250776","8.422","0.0017","15.067","0.003","13.735","0.003","90","","98.15","0.03","90","","1725.3","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cd Cl2 N12 O10 -","- C28 H28 Cd Cl2 N12 O10 -","- C56 H56 Cd2 Cl4 N24 O20 -","2","0.5","","Ebrahimi, Bahare; Notash, Behrouz","Moisture-induced single-crystal-to-powder structural transformation in cadmium coordination compounds containing an electron-deficient ligand: coordinated solvent exchange and retention of dimension","CrystEngComm","2025","27","35","5889","5900","10.1039/D5CE00648A","","","0.71073","MoKα","","0.1132","0.0798","","","0.2064","0.224","","","","","","1.045","","","","has coordinates","302584","2025-10-06","08:32:21",""
"7250777","8.6491","0.0017","9.1342","0.0018","9.599","0.0019","88.5","0.03","76.85","0.03","72.1","0.03","701.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Cd Cl2 N6 O12 -","- C20 H28 Cd Cl2 N6 O12 -","- C20 H28 Cd Cl2 N6 O12 -","1","0.5","","Ebrahimi, Bahare; Notash, Behrouz","Moisture-induced single-crystal-to-powder structural transformation in cadmium coordination compounds containing an electron-deficient ligand: coordinated solvent exchange and retention of dimension","CrystEngComm","2025","27","35","5889","5900","10.1039/D5CE00648A","","","0.71073","MoKα","","0.0504","0.046","","","0.1229","0.1272","","","","","","1.086","","","","has coordinates","302584","2025-10-06","08:32:22",""
"7250778","7.6679","0.0015","8.6057","0.0017","11.831","0.002","90.53","0.03","97.08","0.03","99.36","0.03","764.1","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cd Cl2 N12 O10 -","- C24 H20 Cd Cl2 N12 O10 -","- C24 H20 Cd Cl2 N12 O10 -","1","0.5","","Ebrahimi, Bahare; Notash, Behrouz","Moisture-induced single-crystal-to-powder structural transformation in cadmium coordination compounds containing an electron-deficient ligand: coordinated solvent exchange and retention of dimension","CrystEngComm","2025","27","35","5889","5900","10.1039/D5CE00648A","","","0.71073","MoKα","","0.0755","0.0527","","","0.107","0.1147","","","","","","0.963","","","","has coordinates","302584","2025-10-06","08:32:22",""
"7250779","10.2217","0.0013","25.507","0.003","9.3872","0.0011","90","","110.477","0.003","90","","2292.8","0.5","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl O2 Si -","- C26 H23 Cl O2 Si -","- C104 H92 Cl4 O8 Si4 -","4","1","","Gao, Liuzhou; Wen, Yan; Sun, Yan; Sun, Yuxin; Hu, Jingyi; Wang, Shenglong; Li, Zhenxing; Han, Ying; Wang, Yidong","Metal-free C(sp3)–Si activation enables regiocontrolled [4 + 2] cycloaddition to benzosilacycloethers","Green Chemistry","2025","27","34","10242","10249","10.1039/D5GC03044G","","","0.71073","MoKα","","0.2032","0.0681","","","0.1107","0.1433","","","","","","1.001","","","","has coordinates","302704","2025-10-06","10:00:34",""
"7250780","12.3335","0.0008","8.966","0.0006","20.5471","0.0013","90","","99.799","0.002","90","","2239","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 F3 N2 O5 -","- C26 H19 F3 N2 O5 -","- C104 H76 F12 N8 O20 -","4","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Gomila, Rosa M.; Nikitina, Eugeniya V.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Frontera, Antonio","n → π* and chalcogen bonds in azole-substituted isoindole derivatives: a combined crystallographic and computational study","CrystEngComm","2025","27","37","6155","6162","10.1039/D5CE00673B","","","0.71073","MoKα","","0.0807","0.048","","","0.097","0.1105","","","","","","1.019","","","","has coordinates","302566","2025-10-06","08:24:19",""
"7250781","8.4801","0.0005","19.1845","0.0011","14.4828","0.0008","90","","93.598","0.002","90","","2351.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Cl2 F3 N2 O4 S -","- C26 H17 Cl2 F3 N2 O4 S -","- C104 H68 Cl8 F12 N8 O16 S4 -","4","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Gomila, Rosa M.; Nikitina, Eugeniya V.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Frontera, Antonio","n → π* and chalcogen bonds in azole-substituted isoindole derivatives: a combined crystallographic and computational study","CrystEngComm","2025","27","37","6155","6162","10.1039/D5CE00673B","","","0.71073","MoKα","","0.0578","0.0393","","","0.0898","0.0993","","","","","","1.029","","","","has coordinates","302566","2025-10-06","08:24:19",""
"7250782","9.6442","0.0008","10.376","0.0009","11.0944","0.0009","117.344","0.003","104.347","0.003","90.546","0.003","945.53","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N3 O5 S -","- C22 H17 N3 O5 S -","- C44 H34 N6 O10 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Gomila, Rosa M.; Nikitina, Eugeniya V.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Frontera, Antonio","n → π* and chalcogen bonds in azole-substituted isoindole derivatives: a combined crystallographic and computational study","CrystEngComm","2025","27","37","6155","6162","10.1039/D5CE00673B","","","0.71073","MoKα","","0.0551","0.0411","","","0.0899","0.0973","","","","","","1.025","","","","has coordinates","302566","2025-10-06","08:24:19",""
"7250783","17.4671","0.0016","5.1768","0.0005","21.844","0.002","90","","90","","90","","1975.2","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H20 N4 O4 S -","- C23 H20 N4 O4 S -","- C92 H80 N16 O16 S4 -","4","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Gomila, Rosa M.; Nikitina, Eugeniya V.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Frontera, Antonio","n → π* and chalcogen bonds in azole-substituted isoindole derivatives: a combined crystallographic and computational study","CrystEngComm","2025","27","37","6155","6162","10.1039/D5CE00673B","","","0.71073","MoKα","","0.0697","0.0508","","","0.1001","0.1081","","","","","","1.022","","","","has coordinates","302566","2025-10-06","08:24:19",""
"7250784","18.4127","0.0006","10.4885","0.0004","36.6054","0.001","90","","98.566","0.003","90","","6990.4","0.4","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C43 H38.5 O6.5 -","- C43 H38.5 O6.5 -","- C344 H308 O52 -","8","2","","Sinthopweha, Wichai; Khamto, Nopawit; Rithchumpon, Puracheth; Meepowpan, Puttinan","Methyl itaconate–anthracene adducts (MIAs) facilitate the enantiomeric separation of 1,1′-bi-2-naphthols via thin-layer chromatography (TLC) with trends predicted by molecular dynamics simulations","RSC Advances","2025","15","34","28063","28074","10.1039/D5RA04790K","","x-ray","0.71073","MoKα","","0.0721","0.0464","","","0.1115","0.1236","","","","","","0.931","","","","has coordinates,has disorder","301678","2025-08-07","01:19:54",""
"7250785","13.3609","0.001","7.477","0.0005","17.2879","0.0013","90","","90.927","0.006","90","","1726.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-BINOL-(S)-MIA","","- C41 H32 Cl2 O5 -","- C41 H32 Cl2 O5 -","- C82 H64 Cl4 O10 -","2","1","","Sinthopweha, Wichai; Khamto, Nopawit; Rithchumpon, Puracheth; Meepowpan, Puttinan","Methyl itaconate–anthracene adducts (MIAs) facilitate the enantiomeric separation of 1,1′-bi-2-naphthols via thin-layer chromatography (TLC) with trends predicted by molecular dynamics simulations","RSC Advances","2025","15","34","28063","28074","10.1039/D5RA04790K","","x-ray","0.71073","MoKα","","0.1558","0.0992","","","0.201","0.2377","","","","","","0.904","","","","has coordinates","301678","2025-08-07","01:19:55",""
"7250786","13.3491","0.0012","7.4684","0.0007","17.3178","0.0019","90","","90.917","0.009","90","","1726.3","0.3","296.64","0.1","296.64","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H32 Cl2 O5 -","- C41 H32 Cl2 O5 -","- C82 H64 Cl4 O10 -","2","1","","Sinthopweha, Wichai; Khamto, Nopawit; Rithchumpon, Puracheth; Meepowpan, Puttinan","Methyl itaconate–anthracene adducts (MIAs) facilitate the enantiomeric separation of 1,1′-bi-2-naphthols via thin-layer chromatography (TLC) with trends predicted by molecular dynamics simulations","RSC Advances","2025","15","34","28063","28074","10.1039/D5RA04790K","","x-ray","0.71073","MoKα","","0.1571","0.0833","","","0.2218","0.2673","","","","","","1.035","","","","has coordinates","301678","2025-08-07","01:19:56",""
"7250787","10.4163","0.0004","12.2293","0.0004","15.1051","0.0005","90.877","0.003","106.567","0.003","112.991","0.003","1680.19","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H34 O7 -","- C42 H34 O7 -","- C84 H68 O14 -","2","1","","Sinthopweha, Wichai; Khamto, Nopawit; Rithchumpon, Puracheth; Meepowpan, Puttinan","Methyl itaconate–anthracene adducts (MIAs) facilitate the enantiomeric separation of 1,1′-bi-2-naphthols via thin-layer chromatography (TLC) with trends predicted by molecular dynamics simulations","RSC Advances","2025","15","34","28063","28074","10.1039/D5RA04790K","","x-ray","0.71073","MoKα","","0.1094","0.0661","","","0.1817","0.2087","","","","","","1.076","","","","has coordinates","301678","2025-08-07","01:19:57",""
"7250788","14.613","0.003","10.293","0.002","11.665","0.003","90","","94.435","0.004","90","","1749.3","0.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N4 O2 -","- C21 H16 N4 O2 -","- C84 H64 N16 O8 -","4","1","","Song, Yu-Man; Wang, Li-Sheng; Zhou, You; Tang, Yong-Xing; Wu, Chun-Yan; Wu, Yan-Dong; Wu, An-Xin","I2-DMSO mediated multi-component cascade cyclization to construct pyrazolo[3,4-b]pyrrolo[3,4-d]pyridine-6-one skeleton","RSC Advances","2025","15","34","28280","28284","10.1039/D5RA04871K","","","0.71073","MoKα","","0.0703","0.0459","","","0.1239","0.1441","","","","","","1.023","","","","has coordinates","301699","2025-08-09","01:23:39",""
"7250789","15.124","0.002","14.3822","0.0013","7.1663","0.0007","90","","102.285","0.009","90","","1523.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 Br Mn N3 O3 -","- C16 H9 Br Mn N3 O3 -","- C64 H36 Br4 Mn4 N12 O12 -","4","1","","Khaled, Rabaa M.; Radacki, Krzysztof; Mostafa, Gamal A. E.; Ali, Essam A.; Shehab, Ola R.; Mansour, Ahmed M.","Light-mediated CO release from a tricarbonyl manganese(i) complex with a bidentate quinoxaline ligand","RSC Advances","2025","15","35","28642","28650","10.1039/D5RA03678J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0542","0.0495","","","0.1555","0.1593","","","","","","1.138","","","","has coordinates","301729","2025-08-13","01:22:55",""
"7250790","24.453","0.005","11.045","0.002","16.646","0.003","90","","120.11","0.03","90","","3889.2","1.7","173","2","173.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C45 H38 Br2 F4 N2 Ni -","- C45 H38 Br2 F4 N2 Ni -","- C180 H152 Br8 F16 N8 Ni4 -","4","1","","Zhu, Dongzhi; Zhang, Qiuyue; Jia, Dedong; Ma, Yanping; Sun, Wen-Hua","2-[2,6-Bis(4,4′-difluorobenzhydryl)-4-methylphenylimino]-3-aryliminobutylnickel complex precatalysts tuning polyethylene elastomers with different molecular weights","RSC Advances","2025","15","35","28601","28612","10.1039/D5RA04501K","","","0.71073","MoKα","","0.0764","0.0693","","","0.1636","0.1704","","","","","","1.059","","","","has coordinates","301730","2025-08-13","01:23:14",""
"7250791","12.4474","0.0004","20.5344","0.0005","22.8703","0.0007","90","","90","","90","","5845.6","0.3","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C63 H94 Mg N4 O2 -","- C49 H78 Mg N4 O2 -","- C196 H312 Mg4 N16 O8 -","4","0.5","","Quek, Timothy; Saeteaw, Thonthun; Pongpanit, Tanyawan; Namuangruk, Supawadee; Phomphrai, Khamphee","Homoleptic Magnesium and Calcium Complexes Supported by Constrained Reduced Schiff Base Ligand for Lactide Polymerisation: DFT Analysis of Lactide/Ligand Interactions","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP02229K","","","1.54178","CuKα","","0.1037","0.0667","","","0.1902","0.2595","","","","","","1.063","","","","has coordinates,has disorder","301739","2025-08-14","07:12:50",""
"7250792","12.984","0.0014","20.151","0.003","22.641","0.003","90","","90","","90","","5923.8","1.3","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C63 H94 Ca N4 O2 -","- C63 H94 Ca N4 O2 -","- C252 H376 Ca4 N16 O8 -","4","0.5","","Quek, Timothy; Saeteaw, Thonthun; Pongpanit, Tanyawan; Namuangruk, Supawadee; Phomphrai, Khamphee","Homoleptic Magnesium and Calcium Complexes Supported by Constrained Reduced Schiff Base Ligand for Lactide Polymerisation: DFT Analysis of Lactide/Ligand Interactions","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP02229K","","","0.71073","MoKα","","0.1199","0.0845","","","0.2196","0.2864","","","","","","1.212","","","","has coordinates,has disorder","301739","2025-08-14","07:12:55",""
"7250793","9.8775","0.0002","28.0037","0.0006","11.8519","0.0002","90","","112.566","0.001","90","","3027.32","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H30 N2 -","- C43 H30 N2 -","- C172 H120 N8 -","4","1","","Loghina, Liudmila; Machotova, Jana; Svoboda, Roman; Houdek, Jakub; Kohl, Miroslav; Ruzickova, Zdena; Jambor, Roman; Vlcek, Miroslav","Photoluminescent phenanthroimidazole derivatives as covalently linked UV stabilizers for latex coatings","RSC Advances","2025","15","35","28827","28840","10.1039/D5RA05109F","","","0.71073","MoKα","","0.0573","0.0459","","","0.1177","0.1267","","","","","","1.038","","","","has coordinates,has disorder","301740","2025-08-14","07:33:52",""
"7250794","9.7069","0.0002","10.1507","0.0002","22.459","0.0006","90","","99.267","0.001","90","","2184.04","0.09","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 N2 -","- C31 H22 N2 -","- C124 H88 N8 -","4","1","","Loghina, Liudmila; Machotova, Jana; Svoboda, Roman; Houdek, Jakub; Kohl, Miroslav; Ruzickova, Zdena; Jambor, Roman; Vlcek, Miroslav","Photoluminescent phenanthroimidazole derivatives as covalently linked UV stabilizers for latex coatings","RSC Advances","2025","15","35","28827","28840","10.1039/D5RA05109F","","","0.71073","MoKα","","0.0621","0.0437","","","0.1112","0.1261","","","","","","1.023","","","","has coordinates","301740","2025-08-14","07:33:55",""
"7250795","20.6773","0.0003","8.90513","0.00011","16.45657","0.00018","90","","99.3758","0.0012","90","","2989.73","0.07","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C136 H128 N16 O16 -","8","1","","Sah, Neeraj K.; Kumar, Krishna; Bhattacharya, Subrato; Pramanik, Tanay; Roy, Tanmoy; Garai, Somenath","Unveiling the catalytic potential of silicomolybdic acid in crafting diverse biologically relevant organic compounds","RSC Advances","2025","15","35","28783","28804","10.1039/D5RA03549J","","x-ray","1.54184","CuKα","","0.049","0.0432","","","0.1228","0.1285","","","","","","1.057","","","","has coordinates","301741","2025-08-14","07:34:31",""
"7250796","20.5603","0.0003","10.1414","0.0002","21.5355","0.0003","90","","90","","90","","4490.37","0.13","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H30 O5 -","- C25 H30 O5 -","- C200 H240 O40 -","8","1","","Sah, Neeraj K.; Kumar, Krishna; Bhattacharya, Subrato; Pramanik, Tanay; Roy, Tanmoy; Garai, Somenath","Unveiling the catalytic potential of silicomolybdic acid in crafting diverse biologically relevant organic compounds","RSC Advances","2025","15","35","28783","28804","10.1039/D5RA03549J","","x-ray","1.54184","CuKα","","0.0639","0.0567","","","0.1749","0.1832","","","","","","1.102","","","","has coordinates","301741","2025-08-14","07:34:35",""
"7250797","9.711","0.002","10.465","0.003","11.661","0.003","73.798","0.004","73.558","0.004","62.944","0.004","996.4","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 F3 N O -","- C23 H20 F3 N O -","- C46 H40 F6 N2 O2 -","2","1","","Lu, Meiqun; Chen, Kailun; Cai, Hu","Electrochemical intermolecular trifluoromethylimination of alkenes","Green Chemistry","2025","27","36","10994","10999","10.1039/D5GC02920A","","","0.71073","MoKα","","0.0736","0.0452","","","0.1069","0.122","","","","","","1.034","","","","has coordinates","302701","2025-10-06","09:59:31",""
"7250798","13.3591","0.0003","14.9668","0.0004","15.2348","0.0006","90.435","0.003","115.999","0.003","107.431","0.002","2577.61","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H95 Li4 Mo8 N30 O34.5 -","- C40 H94.996 Li4 Mo8 N30 O34.498 -","- C40 H94.996 Li4 Mo8 N30 O34.498 -","1","0.5","","Liu, Cheng; Xie, Zhen-Lang; Dong, Xin; Jin, Wan-Ting; Lian, Yi-Xin; Zhou, Zhao-Hui","Construction of octanuclear polyoxomolybdenum(v)-based porous materials with lithium additives","RSC Advances","2025","15","37","30062","30070","10.1039/D5RA03010B","","x-ray","1.54184","CuKα","","0.0416","0.0362","","","0.0975","0.1013","","","","","","1.058","","","","has coordinates,has disorder","301885","2025-08-23","01:31:48",""
"7250799","23.6874","0.0002","19.52258","0.00017","23.33101","0.00019","90","","106.767","0.0009","90","","10330.5","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H126 Li4 Mo8 N24 O57 -","- C32 H72 Li4 Mo8 N24 O30 -","- C128 H288 Li16 Mo32 N96 O120 -","4","0.5","","Liu, Cheng; Xie, Zhen-Lang; Dong, Xin; Jin, Wan-Ting; Lian, Yi-Xin; Zhou, Zhao-Hui","Construction of octanuclear polyoxomolybdenum(v)-based porous materials with lithium additives","RSC Advances","2025","15","37","30062","30070","10.1039/D5RA03010B","","x-ray","1.54184","CuKα","","0.0424","0.0366","","","0.1061","0.1117","","","","","","1.042","","","","has coordinates","301885","2025-08-23","01:31:49",""
"7250800","29.8259","0.0003","46.5268","0.0006","24.3732","0.0003","90","","94.152","0.001","90","","33734","0.7","100.01","0.1","100.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","MO with NH4","","- C32 H52 Mo8 N24 O20 -","- C32 H52 Mo8 N24 O20 -","- C320 H520 Mo80 N240 O200 -","10","1.25","","Liu, Cheng; Xie, Zhen-Lang; Dong, Xin; Jin, Wan-Ting; Lian, Yi-Xin; Zhou, Zhao-Hui","Construction of octanuclear polyoxomolybdenum(v)-based porous materials with lithium additives","RSC Advances","2025","15","37","30062","30070","10.1039/D5RA03010B","","","1.54184","CuKα","","0.0905","0.0597","","","0.1441","0.166","","","","","","1.025","","","","has coordinates","301885","2025-08-23","01:31:49",""
"7250801","13.3561","0.0003","14.9592","0.0004","27.3998","0.0007","81.012","0.002","89.971","0.002","72.593","0.002","5153.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","MO1","","- C40 H137 Li4 Mo8 N30 O55.5 -","- C40 H96 Li4 Mo8 N30 O35 -","- C80 H192 Li8 Mo16 N60 O70 -","2","1","","Liu, Cheng; Xie, Zhen-Lang; Dong, Xin; Jin, Wan-Ting; Lian, Yi-Xin; Zhou, Zhao-Hui","Construction of octanuclear polyoxomolybdenum(v)-based porous materials with lithium additives","RSC Advances","2025","15","37","30062","30070","10.1039/D5RA03010B","","x-ray","1.54184","CuKα","","0.0379","0.031","","","0.0812","0.0857","","","","","","1.035","","","","has coordinates","301885","2025-08-23","01:31:50",""
"7250802","7.1533","0.0001","13.3033","0.0002","17.4216","0.0002","90","","90","","90","","1657.88","0.04","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","2-Methoxy-1,8-bis(dimethylamino)naphthalene hydrogen tetrafluoroborate","","","- C16 H22 B D F4 N2 -","- C16 H22 B D F4 N2 -","- C64 H88 B4 D4 F16 N8 -","4","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0319","0.0303","","","0.0803","0.0817","","","","","","1.034","","","","has coordinates,has disorder","302564","2025-10-06","08:23:14",""
"7250803","8.1255","0.0005","8.1953","0.0004","12.3764","0.0006","84.836","0.004","73.423","0.005","78.518","0.005","773.61","0.08","296.17","0.16","296.17","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C14 H19 Cl N2 O4 -","- C14 H19 Cl N2 O4 -","- C28 H38 Cl2 N4 O8 -","2","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0688","0.0632","","","0.1855","0.1921","","","","","","1.069","","","","has coordinates,has disorder","302564","2025-10-06","08:23:15",""
"7250804","13.7546","0.0001","9.5537","0.0001","14.4904","0.0001","90","","90.66","0.001","90","","1904.02","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 B Br4 F4 N2 -","- C14 H15 B Br4 F4 N2 -","- C56 H60 B4 Br16 F16 N8 -","4","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0292","0.0275","","","0.0712","0.0724","","","","","","1.059","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250805","12.8442","0.0001","8.7712","0.0001","19.1298","0.0002","90","","107.671","0.001","90","","2053.46","0.04","100.01","0.16","100.01","0.16","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H31 Br2 N3 -","- C18 H31 Br2 N3 -","- C72 H124 Br8 N12 -","4","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0249","0.0232","","","0.0602","0.0615","","","","","","1.054","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250806","12.0536","0.0002","14.2355","0.0004","15.5369","0.0003","71.122","0.002","78.938","0.002","80.513","0.002","2460.49","0.1","100.2","0.9","100.2","0.9","","","","","","","","6","P -1","-P 1","2","","","","- C43 H62 B2 F8 N4 S8 -","- C43 H62 B2 F8 N4 S8 -","- C86 H124 B4 F16 N8 S16 -","2","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0451","0.0405","","","0.1083","0.1116","","","","","","1.074","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250807","12.1978","0.0001","11.4803","0.0001","12.6584","0.0002","90","","90","","90","","1772.61","0.04","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","2-Methoxy-1,8-bis(dimethylamino)naphthalene hydrogen tetrafluoroborate","","","- C18 H20 B D7 F4 N2 -","- C18 H20 B D7 F4 N2 -","- C72 H80 B4 D28 F16 N8 -","4","0.5","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0491","0.0467","","","0.1161","0.1179","","","","","","1.065","","","","has coordinates,has disorder","302564","2025-10-06","08:23:15",""
"7250808","11.3768","0.0002","12.6149","0.0003","13.7199","0.0002","90","","97.067","0.002","90","","1954.08","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C15 H19 B Cl2 F4 N2 S2 -","- C15 H19 B Cl2 F4 N2 S2 -","- C60 H76 B4 Cl8 F16 N8 S8 -","4","0.5","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0486","0.0471","","","0.1269","0.1283","","","","","","1.099","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250809","12.0279","0.0001","11.5143","0.0001","12.8178","0.0001","90","","90","","90","","1775.17","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H27 N3 S -","- C19 H27 N3 S -","- C76 H108 N12 S4 -","4","0.5","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0433","0.0424","","","0.1145","0.1155","","","","","","1.055","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250810","14.7071","0.0009","7.754","0.0005","15.6954","0.0011","90","","111.348","0.007","90","","1667.1","0.2","100","0.3","100","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 B F4 N2 Se2 -","- C14 H17 B F4 N2 Se2 -","- C56 H68 B4 F16 N8 Se8 -","4","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","0.71073","MoKα","","0.0399","0.0312","","","0.0703","0.0751","","","","","","1.031","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250811","7.7857","0.0002","8.4721","0.0002","14.0062","0.0004","86.404","0.002","76.855","0.002","81.59","0.002","889.57","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 B F4 N2 S2 -","- C16 H23 B F4 N2 S2 -","- C32 H46 B2 F8 N4 S4 -","2","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0334","0.0327","","","0.0798","0.0801","","","","","","1.192","","","","has coordinates,has disorder","302564","2025-10-06","08:23:15",""
"7250812","10.0876","0.0002","10.7862","0.0002","11.0225","0.0003","106.729","0.002","108.33","0.002","104.687","0.002","1009.18","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H27 B F4 N2 S2 -","- C18 H27 B F4 N2 S2 -","- C36 H54 B2 F8 N4 S4 -","2","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0313","0.0305","","","0.0817","0.0823","","","","","","1.041","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250813","4.1879","0.0001","19.4145","0.0003","13.7194","0.0003","90","","97.095","0.002","90","","1106.93","0.04","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F N4 O2 -","- C12 H9 F N4 O2 -","- C48 H36 F4 N16 O8 -","4","1","","Zhang, Xiaofeng; Nallapati, Sashirekha; Johnson, Shea; Chen, Xian; Lim, Jongwon","A PASE synthesis of tetrazoloquinolines and its applications in the syntheses of bioactive compounds","Green Chemistry","2025","27","36","10980","10987","10.1039/D5GC00908A","","x-ray","1.54184","CuKα","","0.0486","0.0436","","","0.1231","0.1297","","","","","","1.04","","","","has coordinates","302702","2025-10-06","09:59:51",""
"7250814","4.6263","0.0001","12.8003","0.0004","20.056","0.0004","104.633","0.002","95.726","0.002","94.206","0.002","1137.41","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 F N4 O2 -","- C12 H9 F N4 O2 -","- C48 H36 F4 N16 O8 -","4","2","","Zhang, Xiaofeng; Nallapati, Sashirekha; Johnson, Shea; Chen, Xian; Lim, Jongwon","A PASE synthesis of tetrazoloquinolines and its applications in the syntheses of bioactive compounds","Green Chemistry","2025","27","36","10980","10987","10.1039/D5GC00908A","","x-ray","1.54184","CuKα","","0.0494","0.0399","","","0.1058","0.1125","","","","","","1.039","","","","has coordinates","302702","2025-10-06","09:59:51",""
"7250815","15.338","0.0002","7.4785","0.0001","20.6528","0.0004","90","","98.915","0.001","90","","2340.37","0.06","100","0.3","100","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl3 N O Pd -","- C9 H10 Cl3 N O Pd -","- C72 H80 Cl24 N8 O8 Pd8 -","8","2","","Khlifi, Houyem; Guesmi, Ahlem; Rabaaoui, Nejmeddine; Cherif, Mourad; Mhadhbi, Noureddine; El-Fattah, Wesam Abd; Ben Hamadi, Naoufel; Naïli, Houcine","From molecular architecture to environmental action: a new palladium-based perovskite catalyst as a cathodic modifier for electro-Fenton degradation","RSC Advances","2025","15","37","30326","30338","10.1039/D5RA03275J","","x-ray","0.71073","MoKα","","0.0378","0.0306","","","0.0826","0.0874","","","","","","1.047","","","","has coordinates","301910","2025-08-27","01:23:08",""
"7250816","7.3027","0.0015","10.689","0.002","17.559","0.004","90","","90","","90","","1370.6","0.5","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 F N O2 -","- C16 H14 F N O2 -","- C64 H56 F4 N4 O8 -","4","1","","Fu, Han; Wang, Feixia; Wu, Ziyan; Xie, Xiaoyu; Zhang, Yicheng; Liu, Jie; Wang, Lei","Tetrabutylammonium decatungstate-catalyzed hydroalkylation/alkoxylation of 3-methyleneisoindolin-1-ones with alcohols/ethers through hydrogen atom transfer process","RSC Advances","2025","15","37","30285","30289","10.1039/D5RA05071E","","","0.71073","MoKα","","0.0367","0.0325","","","0.0977","0.1054","","","","","","1.026","","","","has coordinates","301911","2025-08-27","01:23:23",""
"7250817","15.7628","0.0006","11.1236","0.0004","8.4309","0.0003","90","","99.61","0.004","90","","1457.52","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 N2 O8 Sr -","- C14 H8 N2 O8 Sr -","- C56 H32 N8 O32 Sr4 -","4","0.5","","Hayat, Mohd Umar; Khalid, Mohd; Kamal, Samrah; Shahid, M.; Ahmad, Musheer","Fabrication of a 3D Sr-based metal–organic framework bearing ant topology for highly efficient iodine capture in solution and vapor phases","CrystEngComm","2025","27","40","6639","6651","10.1039/D5CE00539F","","","0.71073","MoKα","","0.0392","0.0287","","","0.0698","0.073","","","","","","1.0325","","","","has coordinates","303702","2025-11-29","19:12:58",""
"7250818","9.2235","0.0012","9.6756","0.0016","12.758","0.002","101.342","0.004","99.504","0.004","103.374","0.004","1059.2","0.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Cl N O5 -","- C25 H18 Cl N O5 -","- C50 H36 Cl2 N2 O10 -","2","1","","Mishra, Gitanjali; Bobonga, Missa Saril; Islam, Khadimul; Chakraborty, Arundhuti; Thirupathi, Barla","DABCO-catalysed highly diastereoselective synthesis of 1,3-indandione containing fully saturated spirocyclopentanes involving 2-(2′-ketoalkyl)-1,3-indandiones and nitrostyrenes","RSC Advances","2025","15","37","30768","30780","10.1039/D5RA04224K","","","0.71073","MoKα","","0.0683","0.042","","","0.0959","0.1152","","","","","","1.059","","","","has coordinates","301929","2025-08-29","01:23:24",""
"7250819","12.713","0.0005","12.93","0.0004","14.0951","0.0005","90","","90","","90","","2316.94","0.14","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N O2 P S2 -","- C21 H32 N O2 P S2 -","- C84 H128 N4 O8 P4 S8 -","4","1","","Kumar, Pretam; Gomila, Rosa M.; Frontera, Antonio; Pandey, Sushil K.","Establishing σ-hole tetrel bonds by hemidirected lead(ii) phosphonodithioates","CrystEngComm","2025","27","38","6386","6396","10.1039/D5CE00611B","","x-ray","1.54184","CuKα","","0.0383","0.036","","","0.0956","0.0988","","","","","","1.026","","","","has coordinates","302593","2025-10-06","08:34:49",""
"7250820","10.3663","0.0005","23.2716","0.0012","13.824","0.0006","90","","103.996","0.004","90","","3235.9","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 O8 P4 Pb2 S8 -","- C56 H56 O8 P4 Pb2 S8 -","- C112 H112 O16 P8 Pb4 S16 -","2","0.5","","Kumar, Pretam; Gomila, Rosa M.; Frontera, Antonio; Pandey, Sushil K.","Establishing σ-hole tetrel bonds by hemidirected lead(ii) phosphonodithioates","CrystEngComm","2025","27","38","6386","6396","10.1039/D5CE00611B","","x-ray","0.71073","MoKα","","0.1234","0.0899","","","0.2264","0.2502","","","","","","1.299","","","","has coordinates","302593","2025-10-06","08:34:49",""
"7250821","11.3461","0.0004","16.6589","0.0007","23.3798","0.001","90","","90","","90","","4419.1","0.3","173","2","173.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","'5-benzyl-3-methyl-3,4-diphenylpyrrolidin-2-one dichloromethane solvate'","","- C24.69 H24.37 Cl1.37 N O -","- C24.685 H24.37 Cl1.37 N O -","- C197.48 H194.96 Cl10.96 N8 O8 -","8","2","","Mimoun, Liliane; Sanaa, Hamdi; Heppner, Florian; Gérard, Hélène; Réset, Laurine; West, Caroline; Vanthuyne, Nicolas; Retailleau, Pascal; Nicolas, Cyril; Gillaizeau, Isabelle","Cu/Pd dual catalyzed stereoselective construction of vicinal tri- and tetrasubstituted stereocenters connected to chiral α-arylacetonitriles","RSC Advances","2025","15","37","30915","30920","10.1039/D5RA04516A","","x-ray","0.71073","MoKα","","0.0915","0.0896","","","0.2344","0.2357","","","","","","1.199","","","","has coordinates","301946","2025-08-30","02:10:32",""
"7250822","11.5532","0.0009","6.4625","0.0004","13.2348","0.001","90","","107.991","0.008","90","","939.83","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","((2S,3S)or(2R,3R),E)-2-methyl-2,3,5-triphenylpent-4-enenitrile","","- C24 H21 N -","- C24 H21 N -","- C48 H42 N2 -","2","1","","Mimoun, Liliane; Sanaa, Hamdi; Heppner, Florian; Gérard, Hélène; Réset, Laurine; West, Caroline; Vanthuyne, Nicolas; Retailleau, Pascal; Nicolas, Cyril; Gillaizeau, Isabelle","Cu/Pd dual catalyzed stereoselective construction of vicinal tri- and tetrasubstituted stereocenters connected to chiral α-arylacetonitriles","RSC Advances","2025","15","37","30915","30920","10.1039/D5RA04516A","","x-ray","0.71073","MoKα","","0.0378","0.0244","","","0.043","0.0459","","","","","","1.1136","","","","has coordinates","301946","2025-08-30","02:10:33",""
"7250823","9.4802","0.0005","11.7086","0.0006","17.1437","0.001","90","","93.047","0.005","90","","1900.26","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'2R,3R,E)-2-methyl-2-(4-nitrophenyl)-3,5-diphenylpent-4-enenitrile'","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Mimoun, Liliane; Sanaa, Hamdi; Heppner, Florian; Gérard, Hélène; Réset, Laurine; West, Caroline; Vanthuyne, Nicolas; Retailleau, Pascal; Nicolas, Cyril; Gillaizeau, Isabelle","Cu/Pd dual catalyzed stereoselective construction of vicinal tri- and tetrasubstituted stereocenters connected to chiral α-arylacetonitriles","RSC Advances","2025","15","37","30915","30920","10.1039/D5RA04516A","","x-ray","0.71073","MoKα","","0.0571","0.0414","","","0.1023","0.1114","","","","","","1.0527","","","","has coordinates","301946","2025-08-30","02:10:34",""
"7250824","8.9769","0.0002","12.0076","0.0003","18.6847","0.0005","77.854","0.002","81.908","0.002","80.281","0.002","1929.09","0.08","293","0.2","293","2","","","","","","","","4","P -1","-P 1","2","","rac-(1R,2R,3R,4S)-3-bromo-1-methyl-2,4-diphenyl-1,2,3,4-tetrahydronaphthalene-1-carbonitrile","","- C24 H20 Br N -","- C24 H20 Br N -","- C96 H80 Br4 N4 -","4","2","","Mimoun, Liliane; Sanaa, Hamdi; Heppner, Florian; Gérard, Hélène; Réset, Laurine; West, Caroline; Vanthuyne, Nicolas; Retailleau, Pascal; Nicolas, Cyril; Gillaizeau, Isabelle","Cu/Pd dual catalyzed stereoselective construction of vicinal tri- and tetrasubstituted stereocenters connected to chiral α-arylacetonitriles","RSC Advances","2025","15","37","30915","30920","10.1039/D5RA04516A","","x-ray","0.71073","MoKα","","0.0374","0.0228","","","0.0357","0.0381","","","","","","1.0657","","","","has coordinates","301946","2025-08-30","02:10:34",""
"7250825","11.3261","0.0004","11.5715","0.0005","16.2185","0.0007","86.402","0.003","75.842","0.003","76.186","0.003","2001.4","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","rac-(1S,2R,3R,4S)-3-bromo-1-methyl-2,4-diphenyl-1,2,3,4- tetrahydronaphthalene-1-carbonitrile","","- C24 H20 Br N -","- C24 H20 Br N -","- C96 H80 Br4 N4 -","4","2","","Mimoun, Liliane; Sanaa, Hamdi; Heppner, Florian; Gérard, Hélène; Réset, Laurine; West, Caroline; Vanthuyne, Nicolas; Retailleau, Pascal; Nicolas, Cyril; Gillaizeau, Isabelle","Cu/Pd dual catalyzed stereoselective construction of vicinal tri- and tetrasubstituted stereocenters connected to chiral α-arylacetonitriles","RSC Advances","2025","15","37","30915","30920","10.1039/D5RA04516A","","x-ray","0.71073","MoKα","","0.0425","0.0271","","","0.0612","0.0663","","","","","","1.0248","","","","has coordinates,has disorder","301946","2025-08-30","02:10:35",""
"7250826","10.0521","0.0004","16.6181","0.0008","15.0137","0.0007","90","","94.785","0.004","90","","2499.2","0.2","100.3","0.8","100.3","0.8","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H23 N O S -","- C34 H23 N O S -","- C136 H92 N4 O4 S4 -","4","1","","Zheng, Kaibo; Wu, Wenlin; Yang, Xueer; Yan, Jiaying; Zhang, Nuonuo; Fang, Mingyue; Han, Fei","Effect of bridge units on the photophysical properties of tetraphenylethene-benzothiazole hybrid AIEgens with high-contrast mechanofluorochromic behaviour","CrystEngComm","2025","27","39","6502","6507","10.1039/D5CE00574D","","x-ray","1.54184","CuKα","","0.1147","0.1133","","","0.2698","0.2722","","","","","","1.339","","","","has coordinates","303695","2025-11-29","19:11:01",""
"7250827","8.921","0.0003","9.4764","0.0003","16.5104","0.0005","94.16","0.002","92.552","0.002","94.443","0.002","1386.15","0.08","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H23 N3 S -","- C37 H23 N3 S -","- C74 H46 N6 S2 -","2","1","","Zheng, Kaibo; Wu, Wenlin; Yang, Xueer; Yan, Jiaying; Zhang, Nuonuo; Fang, Mingyue; Han, Fei","Effect of bridge units on the photophysical properties of tetraphenylethene-benzothiazole hybrid AIEgens with high-contrast mechanofluorochromic behaviour","CrystEngComm","2025","27","39","6502","6507","10.1039/D5CE00574D","","x-ray","1.54184","CuKα","","0.0643","0.0557","","","0.1495","0.1562","","","","","","1.06","","","","has coordinates","303695","2025-11-29","19:11:02",""
"7250828","20.8023","0.0005","10.5888","0.0002","14.498","0.0004","90","","105.375","0.003","90","","3079.2","0.13","100","1","100","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H36 Cl I N2 O3 -","- C34 H36 Cl I N2 O3 -","- C136 H144 Cl4 I4 N8 O12 -","4","1","","Kozlenko, Anastasiia S.; Pugachev, Artem D.; Rostovtseva, Irina A.; Makarova, Nadezhda; Sazykina, Marina A.; Sazykin, Ivan S.; Karchava, Shorena K.; Klimova, Maria V.; Tkachev, Valery; Utenyshev, Andrey N.; Borodkin, Gennadii Sergeevich; Aldoshin, Sergey M.; Metelitsa, Anatoly V.; Ozhogin, Ilya V.","The halogens in focus: the case of spiropyrans with elongated conjugation chain","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP02389K","","","0.71073","MoKα","","0.0325","0.0296","","","0.0655","0.0673","","","","","","1.035","","","","has coordinates","301984","2025-09-03","01:32:05",""
"7250829","10.665","0.009","12.477","0.011","15.956","0.018","105.86","0.07","106.92","0.07","103.27","0.05","1840","3","295","2","294.91","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 Co2 N12 O40 W10 -","- C40 H36 Co2 N12 O40 W10 -","- C40 H36 Co2 N12 O40 W10 -","1","0.5","","Li, Hua; Fu, Yaomei; Wu, Shuangxue; Liu, Li; Wang, Xinlong; Qin, Chao; Su, Zhong-Min","Visible-light driven photoreduction of carbon dioxide to syngas with decatungstate-based metal-organic frameworks","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP02729B","","","0.71073","MoKα","","0.1208","0.0559","","","0.1157","0.1504","","","","","","1.09","","","","has coordinates","301985","2025-09-03","01:32:31",""
"7250830","14.292","0.0016","12.7209","0.0015","24.794","0.003","90","","97.725","0.004","90","","4466.8","0.9","297","2","297.16","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Co2 N5 O22 W5 -","- C22 H18 Co2 N5 O22 W5 -","- C88 H72 Co8 N20 O88 W20 -","4","1","","Li, Hua; Fu, Yaomei; Wu, Shuangxue; Liu, Li; Wang, Xinlong; Qin, Chao; Su, Zhong-Min","Visible-light driven photoreduction of carbon dioxide to syngas with decatungstate-based metal-organic frameworks","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP02729B","","","0.71073","MoKα","","0.0671","0.0388","","","0.0799","0.091","","","","","","1.022","","","","has coordinates","301985","2025-09-03","01:32:32",""
"7250831","9.3737","0.0001","25.5882","0.0003","15.621","0.0001","90","","92.459","0.001","90","","3743.34","0.06","170.2","0.5","170.2","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 Br2 N2 Ni -","- C46 H42 Br2 N2 Ni -","- C184 H168 Br8 N8 Ni4 -","4","1","","Khalid, Areej; Mahmood, Qaiser; Razzaq, Ayesha; Ma, Yanping; Ren, Geng; Wang, Yizhou; Liang, Tongling; Sun, Wen-Hua","High molecular weight polyethylene via the spatial proximity of benzosuberyl in iminopyridine nickel catalysts","RSC Advances","2025","15","38","31597","31608","10.1039/D5RA05407A","","x-ray","1.54184","CuKα","","0.0446","0.0414","","","0.1099","0.1126","","","","","","0.858","","","","has coordinates,has disorder","302001","2025-09-04","01:44:35",""
"7250832","9.2626","0.0002","25.2521","0.0004","15.194","0.0002","90","","95.533","0.002","90","","3537.32","0.11","170","0.4","170","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 Br2 N2 Ni -","- C44 H38 Br2 N2 Ni -","- C176 H152 Br8 N8 Ni4 -","4","1","","Khalid, Areej; Mahmood, Qaiser; Razzaq, Ayesha; Ma, Yanping; Ren, Geng; Wang, Yizhou; Liang, Tongling; Sun, Wen-Hua","High molecular weight polyethylene via the spatial proximity of benzosuberyl in iminopyridine nickel catalysts","RSC Advances","2025","15","38","31597","31608","10.1039/D5RA05407A","","x-ray","1.54184","CuKα","","0.0684","0.0573","","","0.1615","0.1713","","","","","","1.088","","","","has coordinates","302001","2025-09-04","01:44:36",""
"7250833","29.16","0.04","9.848","0.013","12.991","0.018","90","","103.43","0.04","90","","3629","9","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","CC2","","- C54 H52 B8 I10 O16 -","- C54 H52 B8 I10 O16 -","- C108 H104 B16 I20 O32 -","2","0.25","","Mandal, Koushik; Suresh, Ajay; Chopra, Deepak","Quantitative Insights into the Role of Halogen and Triel Bonds in the formation of Isostructural Co-crystals of 4-iodophenyl boronic acid","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP02460A","","","0.71073","MoKα","","0.071","0.0482","","","0.101","0.1102","","","","","","1.068","","","","has coordinates,has disorder","302031","2025-09-05","01:00:31",""
"7250834","26.8515","0.0016","9.8333","0.0005","15.7675","0.0009","90","","108.688","0.002","90","","3943.7","0.4","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","CC1","","- C32 H29 B4 I5 O8 -","- C32 H29 B4 I5 O8 -","- C128 H116 B16 I20 O32 -","4","0.5","","Mandal, Koushik; Suresh, Ajay; Chopra, Deepak","Quantitative Insights into the Role of Halogen and Triel Bonds in the formation of Isostructural Co-crystals of 4-iodophenyl boronic acid","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP02460A","","","0.71073","MoKα","","0.0964","0.0947","","","0.224","0.2246","","","","","","1.331","","","","has coordinates","302031","2025-09-05","01:00:34",""
"7250835","20.0905","0.0009","20.3707","0.0015","29.595","0.002","68.47","0.007","71.318","0.006","79.525","0.006","10644.8","1.3","169.99","0.1","170.15","","","","","","","","","7","P -1","-P 1","2","","","","- C214.5 H183 Cl10 F8 N16 O4 S10 -","- C214.5 H198 Cl10 F8 N16 O4 S10 -","- C429 H396 Cl20 F16 N32 O8 S20 -","2","1","","Kong, Jingyao; Zhu, Yufan; Li, Bowen; He, Dan; Zhao, Fuwen","Investigation on the Structure-Performance Correlation in Y-series Electron Acceptor with Different Phenyl Alkyl Inner Side Chains Toward High-Efficiency Organic Solar Cells","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP02606G","","","1.54184","CuKα","","0.1928","0.1308","","","0.2889","0.3358","","","","","","0.765","","","","has coordinates,has disorder","302044","2025-09-06","01:29:14",""
"7250836","22.48035","0.00017","22.48035","0.00017","17.48441","0.00018","90","","90","","90","","8836.03","0.13","299","","299","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C21 H20 N6 O3 S -","- C21 H20 N6 O3 S -","- C336 H320 N96 O48 S16 -","16","1","","P, Dinesha; Naik, Shivakumar; D, Udayakumar; B. C, Revanasiddappa; Ranjan, Venkatesh; Veeranagaiah, Naveena S.","Hydrazineyl-linked imidazole[1,2-a]pyrimidine-thiazole hybrids: design, synthesis, and in vitro biological evaluation studies","RSC Advances","2025","15","39","32477","32496","10.1039/D5RA04692K","","","1.54184","CuKα","","0.0508","0.0443","","","0.1357","0.1439","","","","","","1.033","","","","has coordinates","302060","2025-09-09","01:33:01",""
"7250837","13.4514","0.0003","13.7819","0.0003","10.8398","0.0002","90","","90","","90","","2009.55","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C15 H12 F9 K Mn O6 -","- C15 H12 F9 K Mn O6 -","- C60 H48 F36 K4 Mn4 O24 -","4","0.5","","Ibrahim, Mukaila A.; Boeré, René T.; Preuss, Kathryn E.","Mn(ii) betadiketonates: structural diversity from deceptively minor alterations to synthetic protocols","RSC Advances","2025","15","39","32299","32308","10.1039/D5RA03587B","","x-ray","1.54184","CuKα","","0.0396","0.0378","","","0.1019","0.1032","","","","","","1.064","","","","has coordinates,has disorder","302061","2025-09-09","01:34:09",""
"7250838","9.1029","0.0003","21.7344","0.0006","9.0051","0.0003","90","","90","","90","","1781.62","0.1","100","0.2","100","0.2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H7 F12 Mn N O5 -","- C12 H7 F12 Mn N O5 -","- C48 H28 F48 Mn4 N4 O20 -","4","0.5","","Ibrahim, Mukaila A.; Boeré, René T.; Preuss, Kathryn E.","Mn(ii) betadiketonates: structural diversity from deceptively minor alterations to synthetic protocols","RSC Advances","2025","15","39","32299","32308","10.1039/D5RA03587B","","x-ray","1.54184","CuKα","","0.0843","0.0766","","","0.1783","0.182","","","","","","1.088","","","","has coordinates,has disorder","302061","2025-09-09","01:34:10",""
"7250839","10.769","0.0002","11.5144","0.0003","16.9696","0.0004","85.497","0.002","76.82","0.002","84.015","0.002","2034.35","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 F18 Mn3 O14 -","- C30 H28 F18 Mn3 O14 -","- C60 H56 F36 Mn6 O28 -","2","1","","Ibrahim, Mukaila A.; Boeré, René T.; Preuss, Kathryn E.","Mn(ii) betadiketonates: structural diversity from deceptively minor alterations to synthetic protocols","RSC Advances","2025","15","39","32299","32308","10.1039/D5RA03587B","","x-ray","1.54184","CuKα","","0.0374","0.0339","","","0.0915","0.094","","","","","","1.054","","","","has coordinates,has disorder","302061","2025-09-09","01:34:11",""
"7250840","10.9445","0.0008","6.9902","0.0005","21.9193","0.0019","90","","102.495","0.008","90","","1637.2","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 F6 Mn O7 -","- C10 H14 F6 Mn O7 -","- C40 H56 F24 Mn4 O28 -","4","1","","Ibrahim, Mukaila A.; Boeré, René T.; Preuss, Kathryn E.","Mn(ii) betadiketonates: structural diversity from deceptively minor alterations to synthetic protocols","RSC Advances","2025","15","39","32299","32308","10.1039/D5RA03587B","","x-ray","1.54184","CuKα","","0.114","0.0891","","","0.2354","0.2524","","","","","","1.073","","","","has coordinates","302061","2025-09-09","01:34:11",""
"7250841","11.9426","0.0003","12.8936","0.0003","14.0015","0.0003","90","","100.799","0.002","90","","2117.81","0.09","100","0.15","100","0.15","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F12 Mn O6 -","- C14 H12 F12 Mn O6 -","- C56 H48 F48 Mn4 O24 -","4","1","","Ibrahim, Mukaila A.; Boeré, René T.; Preuss, Kathryn E.","Mn(ii) betadiketonates: structural diversity from deceptively minor alterations to synthetic protocols","RSC Advances","2025","15","39","32299","32308","10.1039/D5RA03587B","","x-ray","1.54184","CuKα","","0.0445","0.0391","","","0.1016","0.1056","","","","","","1.034","","","","has coordinates,has disorder","302061","2025-09-09","01:34:11",""
"7250842","15.4825","0.0008","19.6279","0.0008","7.7219","0.0004","90","","90","","90","","2346.6","0.2","150","2","150.03","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H18 F12 Mn O6 -","- C18 H18 F12 Mn O6 -","- C72 H72 F48 Mn4 O24 -","4","0.5","","Ibrahim, Mukaila A.; Boeré, René T.; Preuss, Kathryn E.","Mn(ii) betadiketonates: structural diversity from deceptively minor alterations to synthetic protocols","RSC Advances","2025","15","39","32299","32308","10.1039/D5RA03587B","","","0.71073","MoKα","","0.0374","0.0308","","","0.0767","0.0812","","","","","","1.027","","","","has coordinates,has disorder","302061","2025-09-09","01:34:12",""
"7250843","12.443","0.0006","13.5342","0.0006","21.9592","0.0012","90","","90","","90","","3698.1","0.3","150","2","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 F6 Mn O6 -","- C14 H18 F6 Mn O6 -","- C112 H144 F48 Mn8 O48 -","8","1","","Ibrahim, Mukaila A.; Boeré, René T.; Preuss, Kathryn E.","Mn(ii) betadiketonates: structural diversity from deceptively minor alterations to synthetic protocols","RSC Advances","2025","15","39","32299","32308","10.1039/D5RA03587B","","","0.71073","MoKα","","0.0443","0.0295","","","0.0626","0.066","","","","","","1.031","","","","has coordinates","302061","2025-09-09","01:34:12",""
"7250844","21.5361","0.0003","6.8132","0.0001","27.8521","0.0005","90","","104.621","0.002","90","","3954.39","0.11","99.99","0.1","99.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 F12 Mn O6 -","- C14 H12 F12 Mn O6 -","- C112 H96 F96 Mn8 O48 -","8","1","","Ibrahim, Mukaila A.; Boeré, René T.; Preuss, Kathryn E.","Mn(ii) betadiketonates: structural diversity from deceptively minor alterations to synthetic protocols","RSC Advances","2025","15","39","32299","32308","10.1039/D5RA03587B","","x-ray","1.54184","CuKα","","0.0977","0.0941","","","0.2398","0.2417","","","","","","1.095","","","","has coordinates,has disorder","302061","2025-09-09","01:34:13",""
"7250845","12.7086","0.0006","34.9069","0.0014","18.9598","0.0006","90","","96.151","0.004","90","","8362.5","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H71 Cl3 Co2 F24 N8 O18 -","- C62 H71 Cl3 Co2 F24 N8 O18 -","- C248 H284 Cl12 Co8 F96 N32 O72 -","4","1","","Spinu, Cristian Andrei; Novitchi, Ghenadie; Hillebrand, Mihaela; Mocanu, Teodora; Ionita, Gabriela; Hanganu, Anamaria; Tecuceanu, Victoriţa; Andruh, Marius","Design of a new nitronyl-nitroxide biradical and its complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2025","27","39","6462","6472","10.1039/D5CE00795J","","x-ray","0.71073","MoKα","","0.1117","0.0775","","","0.2323","0.2637","","","","","","1.044","","","","has coordinates,has disorder","303694","2025-11-29","19:10:49",""
"7250846","8.4632","0.001","9.8218","0.0014","10.1702","0.0014","101.627","0.012","93.54","0.01","90.027","0.011","826.39","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N2 O8 -","- C17 H14 N2 O8 -","- C34 H28 N4 O16 -","2","1","","Spinu, Cristian Andrei; Novitchi, Ghenadie; Hillebrand, Mihaela; Mocanu, Teodora; Ionita, Gabriela; Hanganu, Anamaria; Tecuceanu, Victoriţa; Andruh, Marius","Design of a new nitronyl-nitroxide biradical and its complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2025","27","39","6462","6472","10.1039/D5CE00795J","","x-ray","0.71073","MoKα","","0.1059","0.0789","","","0.2409","0.2659","","","","","","1.075","","","","has coordinates,has disorder","303694","2025-11-29","19:10:50",""
"7250847","12.6913","0.0009","34.918","0.0019","18.906","0.0008","90","","95.976","0.005","90","","8332.8","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H71 Cl3 F24 N8 Ni2 O18 -","- C62 H71 Cl3 F24 N8 Ni2 O18 -","- C248 H284 Cl12 F96 N32 Ni8 O72 -","4","1","","Spinu, Cristian Andrei; Novitchi, Ghenadie; Hillebrand, Mihaela; Mocanu, Teodora; Ionita, Gabriela; Hanganu, Anamaria; Tecuceanu, Victoriţa; Andruh, Marius","Design of a new nitronyl-nitroxide biradical and its complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2025","27","39","6462","6472","10.1039/D5CE00795J","","x-ray","0.71073","MoKα","","0.1423","0.0716","","","0.1893","0.2311","","","","","","1.02","","","","has coordinates,has disorder","303694","2025-11-29","19:10:50",""
"7250848","12.821","0.005","8.643","0.003","10.145","0.004","90","","98.224","0.012","90","","1112.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 O -","- C14 H9 F3 O -","- C56 H36 F12 O4 -","4","1","","Choudhary, Shailendra Singh; Darole, Ratanamala S.; Krishna, Gamidi Rama; Senthilkumar, Beeran","Base mediated approach for the synthesis of deoxybenzoins using γ-aryl-β-ketoesters and benzoyl chlorides","RSC Advances","2025","15","39","32424","32430","10.1039/D5RA05242D","","","0.71073","MoKα","","0.1218","0.064","","","0.1429","0.1719","","","","","","1.031","","","","has coordinates","302086","2025-09-10","01:42:49",""
"7250849","28.7831","0.0018","10.638","0.0006","8.1073","0.0005","90","","99.183","0.002","90","","2450.6","0.3","298","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Br F O -","- C14 H10 Br F O -","- C112 H80 Br8 F8 O8 -","8","1","","Choudhary, Shailendra Singh; Darole, Ratanamala S.; Krishna, Gamidi Rama; Senthilkumar, Beeran","Base mediated approach for the synthesis of deoxybenzoins using γ-aryl-β-ketoesters and benzoyl chlorides","RSC Advances","2025","15","39","32424","32430","10.1039/D5RA05242D","","","0.71073","MoKα","","0.0641","0.0459","","","0.1067","0.1204","","","","","","1.056","","","","has coordinates","302086","2025-09-10","01:42:52",""
"7250850","11.946","0.0003","8.9801","0.0002","12.6848","0.0003","90","","99.683","0.001","90","","1341.39","0.06","300","2","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Cl3 O -","- C14 H9 Cl3 O -","- C56 H36 Cl12 O4 -","4","1","","Choudhary, Shailendra Singh; Darole, Ratanamala S.; Krishna, Gamidi Rama; Senthilkumar, Beeran","Base mediated approach for the synthesis of deoxybenzoins using γ-aryl-β-ketoesters and benzoyl chlorides","RSC Advances","2025","15","39","32424","32430","10.1039/D5RA05242D","","","0.71073","MoKα","","0.0467","0.044","","","0.106","0.1086","","","","","","1.062","","","","has coordinates","302086","2025-09-10","01:42:52",""
"7250851","8.0559","0.0007","14.7738","0.0012","15.7854","0.0012","90","","101.783","0.005","90","","1839.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cl4 Fe0.2 N4 Zn0.8 -","- C12 H18 Cl4 Fe0.204 N4 Zn0.796 -","- C48 H72 Cl16 Fe0.816 N16 Zn3.184 -","4","1","","Altalib, Rima; Ibrahmi, Imen; Ghoudi, Arafet; Znaidia, Sami; Rekik, Walid; Lhoste, Jerome; Oueslati, Abderrazek","Structure–property relationships in tris(2-amino-5-methylpyridinium) hexabromobismuthate monohydrate with a focus on optical and electrical behavior for optoelectronics applications","RSC Advances","2025","15","39","32906","32918","10.1039/D5RA04097C","","","0.71073","MoKα","","0.0854","0.0375","","","0.0779","0.0989","","","","","","0.995","","","","has coordinates","302123","2025-09-12","01:18:38",""
"7250852","10.118","0.002","12.748","0.003","10.628","0.002","90","","93.894","0.006","90","","1367.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 I4 N Te -","- C6 H7 I4 N Te -","- C24 H28 I16 N4 Te4 -","4","1","","Saini, Aarti; Bhedi, Dharmveer; Thirumoorthi, Ramalingam","Novel supramolecular structures constructed through hydrogen bonding (E–H⋯Cl; E = C, N, and O) and/or halogen–halogen interactions in the products of reactions of 2-[(trimethylsilyl)methyl]pyridine with TeCl4 or TeI4","CrystEngComm","2025","27","38","6373","6380","10.1039/D5CE00646E","","","0.71073","MoKα","","0.0503","0.0348","","","0.0726","0.0795","","","","","","1.128","","","","has coordinates","302592","2025-10-06","08:34:32",""
"7250853","10.386","0.002","11.375","0.002","12.532","0.003","90","","101.156","0.006","90","","1452.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cl6 N2 Si2 Te -","- C18 H32 Cl6 N2 Si2 Te -","- C36 H64 Cl12 N4 Si4 Te2 -","2","0.5","","Saini, Aarti; Bhedi, Dharmveer; Thirumoorthi, Ramalingam","Novel supramolecular structures constructed through hydrogen bonding (E–H⋯Cl; E = C, N, and O) and/or halogen–halogen interactions in the products of reactions of 2-[(trimethylsilyl)methyl]pyridine with TeCl4 or TeI4","CrystEngComm","2025","27","38","6373","6380","10.1039/D5CE00646E","","","0.71073","MoKα","","0.0623","0.039","","","0.0808","0.0947","","","","","","1.067","","","","has coordinates","302592","2025-10-06","08:34:32",""
"7250854","7.0094","0.0002","8.4902","0.0002","15.6462","0.0004","88.97","0.001","86.6","0.001","81.048","0.001","918.13","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 Cl5 N2 O Te -","- C12 H17 Cl5 N2 O Te -","- C24 H34 Cl10 N4 O2 Te2 -","2","1","","Saini, Aarti; Bhedi, Dharmveer; Thirumoorthi, Ramalingam","Novel supramolecular structures constructed through hydrogen bonding (E–H⋯Cl; E = C, N, and O) and/or halogen–halogen interactions in the products of reactions of 2-[(trimethylsilyl)methyl]pyridine with TeCl4 or TeI4","CrystEngComm","2025","27","38","6373","6380","10.1039/D5CE00646E","","","0.71073","MoKα","","0.0235","0.0202","","","0.0434","0.0452","","","","","","1.089","","","","has coordinates","302592","2025-10-06","08:34:32",""
"7250855","12.9467","0.0012","16.0849","0.0015","17.0355","0.0016","63.553","0.003","69.614","0.003","71.15","0.003","2917.1","0.5","100","2","100","2","","","","","","","","7","P 1","P 1","1","(2,2,2-cryptand)-sodium bis(cyanato)[5,10,15,20-tetraphenylporphyrinato]chromate(III) chloroform solvate","(2,2,2-cryptand)-sodium bis(cyanato)[5,10,15,20-tetraphenylporphyrinato]chromate(III) chloroform solvate","","- C64.41 H64.41 Cl1.22 Cr N8 Na O8 -","- C64.406 H64.406 Cl1.218 Cr N8 Na O8 -","- C128.812 H128.812 Cl2.436 Cr2 N16 Na2 O16 -","2","2","","Dhifet, Mondher; Benzerroug, Nabil; Almutairi, Tahani M.; Alomari, Khadra B.; Tumanov, Nikolay; Issaoui, Noureddine","Synthesis, spectroscopic properties, structural characterization, and computational studies of a new non-centrosymmetric hybrid compound: bis-cyanato-N chromium(iii) meso-arylporphyrin complex","RSC Advances","2025","15","40","33410","33426","10.1039/D5RA04378F","","","0.56086","AgKα","","0.053","0.0439","","","0.1125","0.1187","","","","","","1.039","","","","has coordinates,has disorder","302131","2025-09-13","01:10:17",""
"7250856","11.4237","0.0012","10.4916","0.0012","23.34","0.003","90","","101.622","0.008","90","","2740","0.6","140","2","140","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 B N2 -","- C36 H31 B N2 -","- C144 H124 B4 N8 -","4","1","","Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu","Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene","RSC Advances","2025","15","40","33531","33535","10.1039/D5RA04941E","","","1.54178","CuKα","","0.1315","0.0684","","","0.1662","0.2358","","","","","","1.022","","","","has coordinates,has disorder","302154","2025-09-16","01:31:21",""
"7250857","11.4488","0.0008","10.5125","0.0009","23.383","0.002","90","","101.81","0.006","90","","2754.7","0.4","170","2","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 B N2 -","- C36 H31 B N2 -","- C144 H124 B4 N8 -","4","1","","Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu","Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene","RSC Advances","2025","15","40","33531","33535","10.1039/D5RA04941E","","","1.54178","CuKα","","0.1363","0.0674","","","0.1717","0.2244","","","","","","0.942","","","","has coordinates,has disorder","302154","2025-09-16","01:31:22",""
"7250858","11.5542","0.0008","10.6145","0.0009","23.5906","0.0017","90","","102.906","0.005","90","","2820.1","0.4","290","2","290","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 B N2 -","- C36 H31 B N2 -","- C144 H124 B4 N8 -","4","1","","Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu","Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene","RSC Advances","2025","15","40","33531","33535","10.1039/D5RA04941E","","","1.54178","CuKα","","0.1676","0.071","","","0.1753","0.2452","","","","","","0.934","","","","has coordinates,has disorder","302154","2025-09-16","01:31:22",""
"7250859","11.5947","0.0009","10.6548","0.0009","23.6679","0.0017","90","","103.405","0.005","90","","2844.3","0.4","320","2","320","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 B N2 -","- C36 H31 B N2 -","- C144 H124 B4 N8 -","4","1","","Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu","Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene","RSC Advances","2025","15","40","33531","33535","10.1039/D5RA04941E","","","1.54178","CuKα","","0.1907","0.0856","","","0.2113","0.3016","","","","","","0.913","","","","has coordinates,has disorder","302154","2025-09-16","01:31:22",""
"7250860","11.4902","0.0008","10.566","0.0007","23.4778","0.0015","90","","102.284","0.005","90","","2785.1","0.3","230","2","230","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 B N2 -","- C36 H31 B N2 -","- C144 H124 B4 N8 -","4","1","","Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu","Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene","RSC Advances","2025","15","40","33531","33535","10.1039/D5RA04941E","","","1.54178","CuKα","","0.1645","0.0768","","","0.1837","0.2334","","","","","","0.995","","","","has coordinates,has disorder","302154","2025-09-16","01:31:23",""
"7250861","11.4651","0.0009","10.5281","0.0011","23.44","0.002","90","","102.002","0.007","90","","2767.5","0.4","200","2","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 B N2 -","- C36 H31 B N2 -","- C144 H124 B4 N8 -","4","1","","Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu","Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene","RSC Advances","2025","15","40","33531","33535","10.1039/D5RA04941E","","","1.54178","CuKα","","0.1686","0.0753","","","0.1734","0.2264","","","","","","0.989","","","","has coordinates,has disorder","302154","2025-09-16","01:31:23",""
"7250862","11.5246","0.0006","10.5868","0.0006","23.5275","0.0013","90","","102.595","0.004","90","","2801.5","0.3","260","2","260","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 B N2 -","- C36 H31 B N2 -","- C144 H124 B4 N8 -","4","1","","Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu","Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene","RSC Advances","2025","15","40","33531","33535","10.1039/D5RA04941E","","","1.54178","CuKα","","0.1577","0.066","","","0.1645","0.224","","","","","","0.939","","","","has coordinates,has disorder","302154","2025-09-16","01:31:23",""
"7250863","5.9429","0.0004","11.8071","0.0008","18.0729","0.0012","90","","90","","90","","1268.15","0.15","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C48 H60 N4 O20 -","4","1","","Karthick, Subramani; Li, Bing-Xiang; Sridhar, Balasubramanian; Aya, Satoshi; Brahadeeswaran, Srinivasan","Pyrrolidin-1-ium-2-carboxylate·4-hydroxybenzoic acid co-crystal: a novel phase-matchable acentric organic material for efficient second-harmonic generation","CrystEngComm","2025","27","39","6449","6461","10.1039/D5CE00721F","","","0.71073","MoKα","","0.0687","0.0649","","","0.1485","0.1504","","","","","","1.243","","","","has coordinates","303693","2025-11-29","19:10:35",""
"7250864","14.3771","0.0017","22.028","0.006","14.8097","0.0017","90","","90","","90","","4690.2","1.5","293","2","293","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C43 H8 Ag2 Fe N6 -","- C43 H8 Ag2 Fe N6 -","- C172 H32 Ag8 Fe4 N24 -","4","0.25","","Remili, Yasmine; Nasimsobhan, Maryam; Turo-Cortés, Rubén; Vendier, Laure; Bartual-Murgui, Carlos; Molnár, Gábor; Bousseksou, Azzedine; Real Cabezos, José Antonio","Raman scattering and X-ray diffraction study of the temperature- and pressure-induced multistep spin transition in the complex {FeII(AnPy)2[AgI(CN)2]2]}·NO2bz","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP02831K","","x-ray","0.71073","MoKα","","0.2254","0.1024","","","0.2653","0.3359","","","","","","1.043","","","","has coordinates,has disorder","302175","2025-09-18","01:06:06",""
"7250865","14.1333","0.0012","21.887","0.005","14.5925","0.0009","90","","90","","90","","4514","1.1","295","1","293","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C43 H8 Ag2 Fe N6 -","- C43 H8 Ag2 Fe N6 -","- C172 H32 Ag8 Fe4 N24 -","4","0.25","","Remili, Yasmine; Nasimsobhan, Maryam; Turo-Cortés, Rubén; Vendier, Laure; Bartual-Murgui, Carlos; Molnár, Gábor; Bousseksou, Azzedine; Real Cabezos, José Antonio","Raman scattering and X-ray diffraction study of the temperature- and pressure-induced multistep spin transition in the complex {FeII(AnPy)2[AgI(CN)2]2]}·NO2bz","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP02831K","","x-ray","0.71073","MoKα","","0.0832","0.0644","","","0.2","0.2187","","","","","","0.997","","","","has coordinates,has disorder","302175","2025-09-18","01:06:17",""
"7250866","14.3578","0.0003","14.407","0.0003","14.4113","0.0003","104.558","0.001","104.407","0.001","100.574","0.001","2696.6","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Bi Cl6 N6 -","- C18 H27 Bi Cl6 N6 -","- C72 H108 Bi4 Cl24 N24 -","4","2","","Altalib, Rima; Ghoudi, Arafet; Tliha, Mohamed; Naouari, Raja; Rekik, Walid; Lhoste, Jerome; Oueslati, Abderrazek","A zero-dimensional (C6H9N2)3[BiCl6] hybrid material: synthesis and structural, optical, and electrical conductivity","RSC Advances","2025","15","41","33946","33961","10.1039/D5RA01766A","","","0.71073","MoKα","","0.068","0.0356","","","0.0709","0.0879","","","","","","1.017","","","","has coordinates","302176","2025-09-18","01:25:53",""
"7250867","7.5797","0.0004","5.9809","0.0004","52.204","0.003","90","","91.697","0.004","90","","2365.5","0.2","298","","298","","","","","","","","","3","P 1 2 1","P 2y","3","","","","- C14 H9 I -","- C14 H9 I -","- C112 H72 I8 -","8","4","","Morita, Masato; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki","Interplay of C–H⋯F and halogen bonding interactions for tunable room-temperature phosphorescence in iododiphenylacetylene systems","CrystEngComm","2025","27","41","6735","6741","10.1039/D5CE00690B","","x-ray","0.71073","MoKα","","0.0894","0.0651","","","0.1826","0.199","","","","","","1.033","","","","has coordinates","303680","2025-11-29","19:05:16",""
"7250868","6.1455","0.0002","7.4012","0.0003","28.5289","0.0011","90","","90","","90","","1297.61","0.08","299","","299","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 I O -","- C15 H11 I O -","- C60 H44 I4 O4 -","4","1","","Morita, Masato; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki","Interplay of C–H⋯F and halogen bonding interactions for tunable room-temperature phosphorescence in iododiphenylacetylene systems","CrystEngComm","2025","27","41","6735","6741","10.1039/D5CE00690B","","x-ray","0.71073","MoKα","","0.0289","0.0249","","","0.064","0.0662","","","","","","1.05","","","","has coordinates","303680","2025-11-29","19:05:19",""
"7250869","12.9207","0.0009","5.0801","0.0004","19.1219","0.0011","90","","94.046","0.006","90","","1252","0.15","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H5 F4 I -","- C14 H5 F4 I -","- C56 H20 F16 I4 -","4","1","","Morita, Masato; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki","Interplay of C–H⋯F and halogen bonding interactions for tunable room-temperature phosphorescence in iododiphenylacetylene systems","CrystEngComm","2025","27","41","6735","6741","10.1039/D5CE00690B","","x-ray","0.71073","MoKα","","0.0496","0.0349","","","0.0888","0.0961","","","","","","1.06","","","","has coordinates","303680","2025-11-29","19:05:19",""
"7250870","15.239","0.003","15.239","0.003","22.553","0.005","90","","90","","90","","5237.4","1.9","296.15","","296.15","","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C45 H68 Co N O16 -","- C33 H20 Co N O4 -","- C132 H80 Co4 N4 O16 -","4","0.25","","Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin","Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks","CrystEngComm","2025","27","42","6894","6904","10.1039/D5CE00801H","","","0.71073","MoKα","","0.1152","0.0863","","","0.189","0.2028","","","","","","0.977","","","","has coordinates","303689","2025-11-29","19:09:34",""
"7250871","15.243","0.002","15.243","0.002","45.096","0.007","90","","90","","90","","10478","3","296.15","","296.15","","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C82 H77 Co2 N2 O16 -","- C74 H45 Co2 N2 O8 -","- C296 H180 Co8 N8 O32 -","4","0.25","","Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin","Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks","CrystEngComm","2025","27","42","6894","6904","10.1039/D5CE00801H","","","0.71073","MoKα","","0.1747","0.1285","","","0.2556","0.28","","","","","","1.084","","","","has coordinates,has disorder","303689","2025-11-29","19:09:35",""
"7250872","57.238","0.002","19.7412","0.0009","23.0425","0.0009","90","","109.198","0.002","90","","24588.8","1.7","273.15","","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C123 H109 Co3 N9 O18 -","- C108 H74 Co3 N4 O13 -","- C864 H592 Co24 N32 O104 -","8","1","","Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin","Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks","CrystEngComm","2025","27","42","6894","6904","10.1039/D5CE00801H","","","1.54178","CuKα","","0.1573","0.1022","","","0.192","0.2108","","","","","","1.069","","","","has coordinates","303689","2025-11-29","19:09:35",""
"7250873","57.02","0.03","20.59","0.008","22.286","0.013","90","","108.37","0.03","90","","24831","2","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C144 H135 Co3 N12 O21 -","- C117 H72 Co3 N3 O12 -","- C936 H576 Co24 N24 O96 -","8","1","","Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin","Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks","CrystEngComm","2025","27","42","6894","6904","10.1039/D5CE00801H","","","1.54184","CuKα","","0.1946","0.1384","","","0.2713","0.2967","","","","","","1.093","","","","has coordinates","303689","2025-11-29","19:09:35",""
"7250874","8.2","0.003","18.575","0.008","18.646","0.008","104.466","0.015","93.783","0.017","90.299","0.016","2743","2","300","2","300","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H44 F12 N4 -","- C62 H44 F12 N4 -","- C124 H88 F24 N8 -","2","1","","Tang, Baolei; Yang, Xuesong; Chen, Donghe; Hu, Hanlin; Zhang, Hongyu","Reversible mechanochromism and polarization modulation in an elastic organic crystal","CrystEngComm","2025","27","40","6606","6610","10.1039/D5CE00768B","","","0.71073","MoKα","","0.2125","0.1049","","","0.2421","0.3004","","","","","","1.019","","","","has coordinates","303705","2025-11-29","19:15:20",""
"7250875","5.0698","0.0008","14.565","0.002","14.099","0.002","90","","97.056","0.014","90","","1033.2","0.3","85","0.5","85","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H11 B F4 N2 O2 -","- C8 H11 B F4 N2 O2 -","- C32 H44 B4 F16 N8 O8 -","4","2","","Wojtaś, Maciej; Gągor, Anna; Bdikin, Igor; Kopyl, Svitlana","Crystal structure and piezoelectric properties of the final member of the pyridylalanine derivative series: [H-β-(3-pyridyl)-Ala-OH][BF4]","CrystEngComm","2025","27","40","6679","6686","10.1039/D5CE00693G","","x-ray","0.71073","MoKα","","0.2294","0.0944","","","0.175","0.2424","","","","","","0.972","","","","has coordinates","303706","2025-11-29","19:15:28",""
"7250876","12.0693","0.0002","13.86","0.0002","16.1859","0.0003","111.705","0.002","96.855","0.002","111.816","0.002","2229.56","0.09","193","2","193","","","","","","","","","8","P 1","P 1","1","","","","- C48 H72 Co2 N18 O51 P V0.5 W11.5 -","- C48 H58 Co2 N18 O50 P V0.422 W11.578 -","- C48 H58 Co2 N18 O50 P V0.422 W11.578 -","1","1","","Zhu, Yin-Hua; Yang, Jian-Bo; Zhou, Jiu Lin; Ji, Yong-Qi; Mei, Hua; Xu, Yan","Chiral chlorophyll-inspired clusters steering electron transfer for enhanced CO2 photoreduction","Green Chemistry","2025","27","40","12778","12784","10.1039/D5GC03034J","","","0.71073","MoKα","","0.0486","0.0437","","","0.111","0.1136","","","","","","1.018","","","","has coordinates,has disorder","303841","2025-11-29","21:27:36",""
"7250877","15.9662","0.0005","10.4241","0.0003","13.3013","0.0004","90","","93.245","0.001","90","","2210.23","0.12","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Cl Ir N2 -","- C25 H28 Cl Ir N2 -","- C100 H112 Cl4 Ir4 N8 -","4","1","","Mamone, Salvatore; Floreani, Federico; Faramawy, Ahmed; Graiff, Claudia; Franco, Lorenzo; Ruzzi, Marco; Tubaro, Cristina; Stevanato, Gabriele","(De)coding SABRE of [1-13C]Pyruvate","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP01773D","","","0.71073","MoKα","","0.0251","0.0209","","","0.0541","0.0561","","","","","","1.114","","","","has coordinates","302204","2025-09-20","01:08:59",""
"7250878","10.88688","0.00014","10.93543","0.00016","15.2453","0.0002","83.732","0.0012","85.3678","0.0011","84.0042","0.0011","1789.85","0.04","100","0.1","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H38 Ce2 O31 -","- C18 H38 Ce2 O31 -","- C36 H76 Ce4 O62 -","2","1","","Das, Satarupa; Tidey, Jeremiah P.; Liu, Jie; Pickering, Katie S.; Coe, James C.; Walker, Marc; Walton, Richard I.","Solvent induced structural transformation of a cerium(iii) 2,5-furandicarboxylate metal–organic framework","CrystEngComm","2025","27","41","6797","6804","10.1039/D5CE00689A","","","0.71073","MoKα","","0.0237","0.0216","","","0.0488","0.0495","","","","","","1.146","","","","has coordinates,has disorder","303678","2025-11-29","19:04:54",""
"7250879","14.8474","0.0014","26.6474","0.0018","17.9757","0.0011","90","","112.784","0.01","90","","6557","1","175","5","175","5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52.989 H46.307 Ce4 N4.33 O37.33 -","- C52.99 H46.31 Ce4 N4.33 O37.33 -","- C211.96 H185.24 Ce16 N17.32 O149.32 -","4","1","","Das, Satarupa; Tidey, Jeremiah P.; Liu, Jie; Pickering, Katie S.; Coe, James C.; Walker, Marc; Walton, Richard I.","Solvent induced structural transformation of a cerium(iii) 2,5-furandicarboxylate metal–organic framework","CrystEngComm","2025","27","41","6797","6804","10.1039/D5CE00689A","","electron","0.0251","electron","","0.2814","0.2279","","","0.4378","0.4688","","","","","","1.0456","","","","has coordinates,has disorder","303678","2025-11-29","19:04:55",""
"7250880","20.5871","0.0011","12.3929","0.0007","21.3684","0.0014","90","","112.548","0.002","90","","5035.1","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Au4 N4 S4 -","- C52 H48 Au4 N4 S4 -","- C208 H192 Au16 N16 S16 -","4","1","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0311","0.0239","","","0.044","0.046","","","","","","1.036","","","","has coordinates,has disorder","303686","2025-11-29","19:08:19",""
"7250881","31.221","","31.221","","8.542","","90","","90","","120","","7210.81","","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H14 Au N S -","- C17 H14 Au N S -","- C306 H252 Au18 N18 S18 -","18","1","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.157","0.1","","","0.2146","0.2354","","","","","","1.073","","","","has coordinates","303686","2025-11-29","19:08:19",""
"7250882","11.3366","0.0004","18.9708","0.0007","12.8686","0.0004","90","","110.132","0.001","90","","2598.48","0.16","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Au N -","- C15 H14 Au N -","- C120 H112 Au8 N8 -","8","2","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0219","0.0187","","","0.0418","0.0429","","","","","","1.047","","","","has coordinates","303686","2025-11-29","19:08:19",""
"7250883","10.1311","0.0005","11.8564","0.0006","17.3656","0.0008","100.14","0.002","98.615","0.002","101.681","0.002","1973.27","0.17","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 Au N -","- C15 H14 Au N -","- C90 H84 Au6 N6 -","6","3","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0516","0.0412","","","0.1101","0.116","","","","","","1.016","","","","has coordinates","303686","2025-11-29","19:08:19",""
"7250884","7.708","0.003","19.172","0.005","10.066","0.002","90","","93.112","0.011","90","","1485.3","0.8","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Au N S -","- C17 H14 Au N S -","- C68 H56 Au4 N4 S4 -","4","1","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0322","0.0287","","","0.0713","0.0729","","","","","","1.043","","","","has coordinates,has disorder","303686","2025-11-29","19:08:19",""
"7250885","11.8718","0.0006","20.3094","0.001","15.884","0.0008","90","","99.929","0.002","90","","3772.4","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Au N S -","- C13 H12 Au N S -","- C156 H144 Au12 N12 S12 -","12","3","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0602","0.0517","","","0.1339","0.1403","","","","","","1.045","","","","has coordinates,has disorder","303686","2025-11-29","19:08:19",""
"7250886","9.9569","0.0002","11.6078","0.0003","17.3895","0.0004","100.341","0.001","97.326","0.001","103.953","0.001","1887.9","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H36 Au3 N3 S3 -","- C39 H36 Au3 N3 S3 -","- C78 H72 Au6 N6 S6 -","2","1","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0302","0.0233","","","0.0432","0.0452","","","","","","1.045","","","","has coordinates,has disorder","303686","2025-11-29","19:08:19",""
"7250887","9.081","0.002","17.316","0.004","18.171","0.004","114.577","0.009","98.055","0.01","102.895","0.01","2443.9","1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Au N S2 -","- C17 H14 Au N S2 -","- C102 H84 Au6 N6 S12 -","6","3","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.1048","0.0906","","","0.2399","0.2486","","","","","","1.108","","","","has coordinates,has disorder","303686","2025-11-29","19:08:19",""
"7250888","11.0862","0.0013","14.95","0.003","15.372","0.003","64.989","0.009","80.55","0.009","79.057","0.008","2256.7","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H42 Au3 N3 S3 -","- C51 H42 Au3 N3 S3 -","- C102 H84 Au6 N6 S6 -","2","1","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0684","0.063","","","0.1473","0.1505","","","","","","1.143","","","","has coordinates,has disorder","303686","2025-11-29","19:08:19",""
"7250889","11.6478","0.0005","21.7736","0.0008","25.2892","0.001","113.938","0.001","100.457","0.002","90.668","0.002","5738.7","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Au N S -","- C13 H12 Au N S -","- C234 H216 Au18 N18 S18 -","18","9","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0627","0.0529","","","0.1239","0.1291","","","","","","1.044","","","","has coordinates,has disorder","303686","2025-11-29","19:08:19",""
"7250890","9.5353","0.0004","9.0085","0.0003","33.0864","0.0015","90","","96.222","0.003","90","","2825.3","0.2","150","2","150","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C27 H31 B Br2 F2 N2 O5 -","- C27 H31 B Br2 F2 N2 O5 -","- C108 H124 B4 Br8 F8 N8 O20 -","4","2","","Schwarze, Thomas; Al Akrami, Mazen; Heinrich, Julian; Hergl, Vinja; Sperlich, Eric; Kelling, Alexandra; Sprenger, Tobias; Jahn, Nicolas; Klamroth, Tillmann; Kulak, Nora","A sodium ion-selective photosensitizer: Dibrominated F-BODIPY as a fluorescence imaging and therapeutic agent","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP03172A","","","0.71073","MoKα","","0.1563","0.0597","","","0.1015","0.1242","","","","","","0.977","","","","has coordinates","302220","2025-09-23","01:19:14",""
"7250891","8.3777","0.0004","10.8636","0.0005","18.1118","0.0008","106.347","0.004","96.538","0.004","98.274","0.004","1544.47","0.13","210","2","210","","","","","","","","","9","P -1","-P 1","2","","","","- C27 H31 B Br2 Cl F2 N2 Na O9 -","- C27 H31 B Br2 Cl F2 N2 Na O9 -","- C54 H62 B2 Br4 Cl2 F4 N4 Na2 O18 -","2","1","","Schwarze, Thomas; Al Akrami, Mazen; Heinrich, Julian; Hergl, Vinja; Sperlich, Eric; Kelling, Alexandra; Sprenger, Tobias; Jahn, Nicolas; Klamroth, Tillmann; Kulak, Nora","A sodium ion-selective photosensitizer: Dibrominated F-BODIPY as a fluorescence imaging and therapeutic agent","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP03172A","","","0.71073","MoKα","","0.1131","0.0583","","","0.1176","0.1429","","","","","","1.017","","","","has coordinates,has disorder","302220","2025-09-23","01:19:15",""
"7250892","10.6588","0.0007","12.0358","0.0007","15.5323","0.0009","79.51","0.002","84.809","0.003","66.686","0.003","1798.94","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H36 Cl2 N8 O12 Re2 S0 -","- C26 H36 Cl2 N8 O12 Re2 -","- C52 H72 Cl4 N16 O24 Re4 -","2","1","","Abdullah, Shabaaz; Davison, Candace; Smit, Christie Jane; Mbatha, Phiwokuhle; Mare, Jo-Anne de la; Booysen, Irvin Noel","Synthesis, characterization, DNA interaction, and anticancer studies of novel facial tricarbonylrhenium(i) complexes with uracil-derived ligands","RSC Advances","2025","15","41","34635","34642","10.1039/D5RA05387K","","","0.71073","MoKα","","0.0209","0.0182","","","0.0457","0.0471","","","","","","1.049","","","","has coordinates","302221","2025-09-23","01:40:35",""
"7250893","15.19","0.0008","10.7654","0.0006","13.4702","0.0007","90","","108.661","0.002","90","","2086.93","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br N5 O5 Re -","- C19 H15 Br N5 O5 Re -","- C76 H60 Br4 N20 O20 Re4 -","4","1","","Abdullah, Shabaaz; Davison, Candace; Smit, Christie Jane; Mbatha, Phiwokuhle; Mare, Jo-Anne de la; Booysen, Irvin Noel","Synthesis, characterization, DNA interaction, and anticancer studies of novel facial tricarbonylrhenium(i) complexes with uracil-derived ligands","RSC Advances","2025","15","41","34635","34642","10.1039/D5RA05387K","","","0.71073","MoKα","","0.0176","0.0161","","","0.0359","0.0363","","","","","","1.059","","","","has coordinates","302221","2025-09-23","01:40:36",""
"7250894","18.9342","0.001","10.194","0.0005","28.1709","0.0015","90","","90","","90","","5437.4","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H31 Br N5 O7 Re -","- C24 H31 Br N5 O7 Re -","- C192 H248 Br8 N40 O56 Re8 -","8","1","","Abdullah, Shabaaz; Davison, Candace; Smit, Christie Jane; Mbatha, Phiwokuhle; Mare, Jo-Anne de la; Booysen, Irvin Noel","Synthesis, characterization, DNA interaction, and anticancer studies of novel facial tricarbonylrhenium(i) complexes with uracil-derived ligands","RSC Advances","2025","15","41","34635","34642","10.1039/D5RA05387K","","","0.71073","MoKα","","0.0411","0.0279","","","0.0502","0.0548","","","","","","1.056","","","","has coordinates","302221","2025-09-23","01:40:37",""
"7250895","5.6698","0.0011","10.893","0.002","13.585","0.003","72.75","0.03","85.55","0.03","86.34","0.03","798.1","0.3","290","","290","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C40 H32 O8 -","2","1","","Feyzi, Aynaz; Jafarpour, Farnaz","Regioselective C3–C4 difunctionalization of 4-bromocoumarins via Pd/norbornene catalysis","RSC Advances","2025","15","41","34434","34438","10.1039/D5RA05007C","","x-ray","0.71073","MoKα","","0.0899","0.0772","","","0.2176","0.2259","","","","","","1.142","","","","has coordinates","302222","2025-09-23","01:40:59",""
"7250896","6.645","0.004","11.421","0.007","15.338","0.009","80.34","0.02","82.07","0.02","88.74","0.02","1136.6","1.2","213","","213","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H26 N8 -","- C48 H26 N8 -","- C48 H26 N8 -","1","0.5","","Bandaru, Rohith Phaneendra; Jami, Ananda Kumar; Tripuramallu, Bharat Kumar","Self-assembly of tin(iv) cyanophenyl porphyrins into hydrogen-bonded frameworks reinforced by halogen bonding: synthesis, structure and computational perspectives","CrystEngComm","2025","27","43","7081","7093","10.1039/D5CE00731C","","","0.71073","MoKα","","0.1272","0.0978","","","0.2282","0.247","","","","","","1.0528","","","","has coordinates","303683","2025-11-29","19:06:48",""
"7250897","14.5583","0.0009","14.6841","0.0011","16.1918","0.0013","68.874","0.003","70.185","0.003","62.069","0.003","2791.2","0.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H39 I2 N9 O3 Sn -","- C63 H39 I2 N9 O3 Sn -","- C126 H78 I4 N18 O6 Sn2 -","2","1","","Bandaru, Rohith Phaneendra; Jami, Ananda Kumar; Tripuramallu, Bharat Kumar","Self-assembly of tin(iv) cyanophenyl porphyrins into hydrogen-bonded frameworks reinforced by halogen bonding: synthesis, structure and computational perspectives","CrystEngComm","2025","27","43","7081","7093","10.1039/D5CE00731C","","","0.71073","MoKα","","0.0656","0.0488","","","0.1233","0.1379","","","","","","1.039","","","","has coordinates","303683","2025-11-29","19:06:49",""
"7250898","7.719","0.0005","12.2333","0.0009","17.0991","0.0013","73.879","0.003","80.487","0.003","75.715","0.003","1495.05","0.19","110.15","","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H46 I2 N10 O6 Sn -","- C68 H46 I2 N10 O6 Sn -","- C68 H46 I2 N10 O6 Sn -","1","0.5","","Bandaru, Rohith Phaneendra; Jami, Ananda Kumar; Tripuramallu, Bharat Kumar","Self-assembly of tin(iv) cyanophenyl porphyrins into hydrogen-bonded frameworks reinforced by halogen bonding: synthesis, structure and computational perspectives","CrystEngComm","2025","27","43","7081","7093","10.1039/D5CE00731C","","","0.71073","MoKα","","0.0856","0.0659","","","0.1577","0.1679","","","","","","1.042","","","","has coordinates","303683","2025-11-29","19:06:49",""
"7250899","8.0401","0.0007","3.8577","0.0004","11.7923","0.001","90","","90.148","0.003","90","","365.75","0.06","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","pFBA","4 Formamidobenzoic acid","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C16 H14 N2 O6 -","2","1","","Mathew, Ansu; Karuppannan, Srinivasan","Influence of degraded 1,4-dioxane on the formylation of para-aminobenzoic acid: a pathway to the reactive crystallization of para-formamidobenzoic acid","CrystEngComm","2025","27","43","7071","7080","10.1039/D5CE00628G","","","0.71073","MoKα","","0.0372","0.0318","","","0.0725","0.0749","","","","","","1.064","","","","has coordinates","303687","2025-11-29","19:08:34",""
"7250900","6.193","0.0011","8.8783","0.0016","11.8108","0.0018","104.567","0.014","94.949","0.014","104.436","0.015","600.94","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C26 H24 N4 O8 -","2","1","","Singh, Munendra Pal; Hazarika, Abhinav; Baruah, Jubaraj B.","Are supramolecular synthons stable as discrete units? Results from a series of salts of 4-(4-hydroxyphenylazo)benzoic acid and its derivatives with aminopyridines","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP03325J","","","0.71073","MoKα","","0.1043","0.0572","","","0.1394","0.1854","","","","","","0.954","","","","has coordinates","302240","2025-09-24","02:17:46",""
"7250901","9.2152","0.0006","9.748","0.0008","10.9494","0.0008","78.874","0.006","83.021","0.006","79.171","0.006","944.19","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N4 O4 -","- C19 H21 N5 O4 -","- C38 H42 N10 O8 -","2","1","","Singh, Munendra Pal; Hazarika, Abhinav; Baruah, Jubaraj B.","Are supramolecular synthons stable as discrete units? Results from a series of salts of 4-(4-hydroxyphenylazo)benzoic acid and its derivatives with aminopyridines","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP03325J","","","0.71073","MoKα","","0.0795","0.0538","","","0.1423","0.1632","","","","","","1.209","","","","has coordinates","302240","2025-09-24","02:17:48",""
"7250902","13.4605","0.0003","13.4605","0.0003","14.4058","0.0004","90","","90","","90","","2610.12","0.11","273","2","273","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C13 H30 Br4 Cd N4 -","- C13 H31 Br4 Cd N4 -","- C52 H124 Br16 Cd4 N16 -","4","0.5","","Kim, Sun Ha; Shin, Daiha; Ko, Yoon-Joo; Lim, Ae Ran","Comprehensive study of organic–inorganic hybrid [N(C2H5)4]2CdBr4: crystal structure, phase transitions, and structural geometry","RSC Advances","2025","15","42","34939","34947","10.1039/D5RA05828G","","","0.71073","MoKα","","0.1399","0.0637","","","0.1709","0.2039","","","","","","1.165","","","","has coordinates","302241","2025-09-24","02:47:14",""
"7250903","7.6889","0.0006","11.4309","0.0009","30.912","0.002","90","","94.589","0.006","90","","2708.2","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-1-(2-hidroxyphenyl)-3-[(4-trifluormethyl) phenyl]prop-2-en-1-one","","- C16 H11 F3 O2 -","- C16 H11 F3 O2 -","- C128 H88 F24 O16 -","8","2","","Cassará, María Lucrecia Arias; Pérez, Hiram; Davies, Lilian E.; Echeverría, Gustavo A.; Piro, Oscar E.; Gil, Diego M.","Deciphering weak hydrogen bonds, halogen bonds, and π-stacking interactions in two fluorinated 2′-hydroxychalcones: insights from experimental and theoretical analysis","CrystEngComm","2025","27","41","6781","6796","10.1039/D5CE00793C","","x-ray","0.71073","MoKα","","0.1623","0.0915","","","0.3229","0.3446","","","","","","1.09","","","","has coordinates","303679","2025-11-29","19:05:06",""
"7250904","7.1384","0.0005","12.7929","0.0008","12.9301","0.001","90","","90","","90","","1180.79","0.14","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-3-(4-fluorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one","","- C15 H11 F O2 -","- C15 H11 F O2 -","- C60 H44 F4 O8 -","4","1","","Cassará, María Lucrecia Arias; Pérez, Hiram; Davies, Lilian E.; Echeverría, Gustavo A.; Piro, Oscar E.; Gil, Diego M.","Deciphering weak hydrogen bonds, halogen bonds, and π-stacking interactions in two fluorinated 2′-hydroxychalcones: insights from experimental and theoretical analysis","CrystEngComm","2025","27","41","6781","6796","10.1039/D5CE00793C","","x-ray","0.71073","MoKα","","0.0695","0.0435","","","0.0909","0.1059","","","","","","1.022","","","","has coordinates","303679","2025-11-29","19:05:06",""
"7250905","6.5946","0.001","6.5775","0.0011","9.962","0.003","90","","98.763","0.018","90","","427.07","0.16","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 F2 N O4 P Zr -","- C2 H8 F2 N O4 P Zr -","- C4 H16 F4 N2 O8 P2 Zr2 -","2","0.5","","Chen, Ziyuan; Liu, Shuzhen; Li, Shuangjiang; Chen, Zhihua; Yang, Lu; Zhang, Shengmao; Sun, Haiyan; Feng, Meiling; Huang, Xiaoying","Efficient capture of Sr2+ ions by a layered crystalline zirconium phosphate fluoride","CrystEngComm","2025","27","43","7063","7070","10.1039/D5CE00784D","","","0.71073","MoKα","","0.0714","0.0559","","","0.133","0.1477","","","","","","1.097","","","","has coordinates,has disorder","303681","2025-11-29","19:05:34",""
"7250906","9.3002","0.0004","13.7002","0.0006","22.497","0.0007","96.212","0.003","90.55","0.003","100.482","0.004","2800.8","0.2","169.99","0.14","169.99","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C63 H64 Cl6 Fe N3 -","- C62 H62 Cl4 Fe N3 -","- C124 H124 Cl8 Fe2 N6 -","2","1","","Zhang, Randi; Ma, Yanping; Solan, Gregory A.; Wang, Yizhou; Gao, Jiahao; Liang, Tongling; Sun, Wen-Hua","Modulation of 2-imino-6,7-dihydroquinlin-8(5H)-imine-iron ethylene polymerization catalysts through (cyclo)alkyl, benzhydryl and halide substitution","RSC Advances","2025","15","42","35055","35067","10.1039/D5RA06630A","","x-ray","1.54184","CuKα","","0.1222","0.0908","","","0.2673","0.2973","","","","","","1.062","","","","has coordinates","302255","2025-09-25","01:32:28",""
"7250907","28.2417","0.0018","17.0632","0.0012","17.8586","0.0012","90","","101.352","0.006","90","","8437.6","1","170","0.16","170","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C87 H81 Cl2 Fe N3 -","- C87 H81 Cl2 Fe N3 -","- C348 H324 Cl8 Fe4 N12 -","4","1","","Zhang, Randi; Ma, Yanping; Solan, Gregory A.; Wang, Yizhou; Gao, Jiahao; Liang, Tongling; Sun, Wen-Hua","Modulation of 2-imino-6,7-dihydroquinlin-8(5H)-imine-iron ethylene polymerization catalysts through (cyclo)alkyl, benzhydryl and halide substitution","RSC Advances","2025","15","42","35055","35067","10.1039/D5RA06630A","","x-ray","1.54184","CuKα","","0.1932","0.106","","","0.2488","0.3119","","","","","","0.931","","","","has coordinates,has disorder","302255","2025-09-25","01:32:28",""
"7250908","11.2517","0.0005","13.8607","0.0006","11.2925","0.0007","90","","94.92","0.005","90","","1754.65","0.15","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Cl N2 O2 -","- C17 H23 Cl N2 O2 -","- C68 H92 Cl4 N8 O8 -","4","1","","R., Manjunath; Rao, Ashwini; Mahesha,; A. H., Udaya Kumar; Acharya, Sudarshan; Udupa E. G., Padmanabha; Abdul Salam, Abdul Ajees; Hakkimane, Sushruta S.; B. S., Shashikala; N. K., Lokanath; Gaonkar, Santosh L.","Design and synthesis of N-substituted-2-butyl-4-chloro-1H-imidazole derivatives as potential ACE inhibitors: in vitro study, in-silico analysis, and a multifaceted CSD-supported crystallographic investigation","RSC Advances","2025","15","42","35077","35098","10.1039/D5RA04675K","","","0.71073","MoKα","","0.0646","0.051","","","0.1293","0.1382","","","","","","1.046","","","","has coordinates,has disorder","302256","2025-09-25","01:32:53",""
"7250909","19.0525","0.0008","4.9314","0.0003","14.2572","0.0007","90","","90","","90","","1339.54","0.12","150","0.1","150","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H6 N8 O9 -","- C8 H6 N8 O9 -","- C32 H24 N32 O36 -","4","1","","Zhang, Xiaoyan; Zhang, Qisheng; Zhao, Yunshu; Li, Guiying; Jiang, Tiying; Suo, Zhirong; Sun, Shanhu; Su, Li","Synthesis, crystal structure and properties of 3-picrylamino-1,2,4-triazole-nitric acid self-assembled energetic material","RSC Advances","2025","15","42","35109","35114","10.1039/D5RA05291B","","","0.71073","MoKα","","0.0797","0.0621","","","0.1529","0.1711","","","","","","0.954","","","","has coordinates","302257","2025-09-25","01:33:10",""
"7250910","9.8518","0.0002","9.0638","0.0001","16.7122","0.0003","90","","90.598","0.001","90","","1492.23","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H36 N4 Ni O3 -","- C35 H36 N4 Ni O3 -","- C70 H72 N8 Ni2 O6 -","2","1","","Hayriyan, Liana; Grigoryan, Anna; Gevorgyan, Hasmik; Tsaturyan, Avetis; Sargsyan, Armen; Langer, Peter; Saghyan, Ashot; Mkrtchyan, Anna","A<sup>3</sup>-Mannich coupling reaction <i>via</i> chiral propargylglycine Ni(ii) complex: an approach for synthesizing enantiomerically enriched unnatural α-amino acids.","RSC advances","2025","15","42","35379","35387","10.1039/d5ra04554a","","x-ray","0.71073","MoKα","","0.0366","0.032","","","0.0782","0.0805","","","","","","1.041","","","","has coordinates","302306","2025-09-30","02:06:05",""
"7250911","8.0669","0.0001","11.4585","0.0001","32.7459","0.0004","90","","90","","90","","3026.85","0.06","100","2","100","0.8","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 N4 Ni O3 -","- C35 H38 N4 Ni O3 -","- C140 H152 N16 Ni4 O12 -","4","1","","Hayriyan, Liana; Grigoryan, Anna; Gevorgyan, Hasmik; Tsaturyan, Avetis; Sargsyan, Armen; Langer, Peter; Saghyan, Ashot; Mkrtchyan, Anna","A<sup>3</sup>-Mannich coupling reaction <i>via</i> chiral propargylglycine Ni(ii) complex: an approach for synthesizing enantiomerically enriched unnatural α-amino acids.","RSC advances","2025","15","42","35379","35387","10.1039/d5ra04554a","","x-ray","0.71073","MoKα","","0.0227","0.022","","","0.0592","0.0595","","","","","","1.061","","","","has coordinates","302306","2025-09-30","02:06:06",""
"7250912","9.27604","0.00011","9.63867","0.00013","38.6709","0.0005","90","","90","","90","","3457.51","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H40 N4 Ni O4 -","- C41 H40 N4 Ni O4 -","- C164 H160 N16 Ni4 O16 -","4","1","","Hayriyan, Liana; Grigoryan, Anna; Gevorgyan, Hasmik; Tsaturyan, Avetis; Sargsyan, Armen; Langer, Peter; Saghyan, Ashot; Mkrtchyan, Anna","A<sup>3</sup>-Mannich coupling reaction <i>via</i> chiral propargylglycine Ni(ii) complex: an approach for synthesizing enantiomerically enriched unnatural α-amino acids.","RSC advances","2025","15","42","35379","35387","10.1039/d5ra04554a","","x-ray","0.71073","MoKα","","0.0273","0.0265","","","0.0675","0.0678","","","","","","1.097","","","","has coordinates","302306","2025-09-30","02:06:07",""
"7250913","8.1317","0.0003","16.3483","0.0005","41.1137","0.0014","90","","90","","90","","5465.6","0.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H28 N2 O3 -","- C34 H28 N2 O3 -","- C272 H224 N16 O24 -","8","1","","Pradeep Kumar, Mommuleti; Sarkar, Tukki; Durga Prasad, Vemavarapu; Sharma, Nidhi; Kumar B, Harish; Sai Balaji, Andagulapati; Nagendra Babu, Bathini","Pyrido-indole-one hybrids as potential anticancer agents against breast carcinoma: development of Ru(ii)-catalyzed annulation of indole-2-carboxamides, biological screening and molecular docking studies.","RSC advances","2025","15","42","35445","35459","10.1039/d5ra06548h","","","0.71073","MoKα","","0.0752","0.0437","","","0.1096","0.1303","","","","","","1.022","","","","has coordinates","302307","2025-09-30","02:06:32",""
"7250914","8.8745","0.0015","41.277","0.007","23.237","0.004","90","","98.318","0.003","90","","8422","2","100","2","100.35","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C93 H66 B4 Co2 F16 N12 O3 -","- C93 H66 B4 Co2 F16 N12 O3 -","- C372 H264 B16 Co8 F64 N48 O12 -","4","1","","Soejima, Keita; Sekine, Yoshihiro; Miyake, Kanta; Kiba, Kota; Yamaguchi, Yuito; Zenno, Hikaru; Hayami, Shinya","Observation of spin-crossover behaviour in Co(ii)-terpyridine complexes possessing π-conjugated substations","RSC Advances","2025","15","43","35892","35898","10.1039/D4RA08657K","","","0.71075","MoKα","","0.0769","0.0642","","","0.1614","0.1731","","","","","","1.089","","","","has coordinates","302308","2025-09-30","02:07:25",""
"7250915","10.9464","0.0002","17.5374","0.0003","18.3393","0.0003","105.877","0.002","105.286","0.002","99.921","0.002","3151.14","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C69 H41 B2 Cl9 Co F8 N6 -","- C69 H41 B2 Cl9 Co F8 N6 -","- C138 H82 B4 Cl18 Co2 F16 N12 -","2","1","","Soejima, Keita; Sekine, Yoshihiro; Miyake, Kanta; Kiba, Kota; Yamaguchi, Yuito; Zenno, Hikaru; Hayami, Shinya","Observation of spin-crossover behaviour in Co(ii)-terpyridine complexes possessing π-conjugated substations","RSC Advances","2025","15","43","35892","35898","10.1039/D4RA08657K","","x-ray","0.71073","MoKα","","0.0668","0.0472","","","0.0976","0.1048","","","","","","1.019","","","","has coordinates","302308","2025-09-30","02:07:35",""
"7250916","14.6941","0.0004","16.9594","0.0004","19.7961","0.0005","90","","104.323","0.003","90","","4779.9","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H37 B2 Co F8 N7 -","- C56 H37 B2 Co F8 N7 -","- C224 H148 B8 Co4 F32 N28 -","4","1","","Soejima, Keita; Sekine, Yoshihiro; Miyake, Kanta; Kiba, Kota; Yamaguchi, Yuito; Zenno, Hikaru; Hayami, Shinya","Observation of spin-crossover behaviour in Co(ii)-terpyridine complexes possessing π-conjugated substations","RSC Advances","2025","15","43","35892","35898","10.1039/D4RA08657K","","x-ray","0.71073","MoKα","","0.0706","0.0435","","","0.1023","0.1153","","","","","","1.024","","","","has coordinates","302308","2025-09-30","02:07:44",""
"7250917","20.3553","0.0006","14.0557","0.0004","22.6261","0.0006","90","","107.921","0.003","90","","6159.4","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C139 H97 B4 Co2 F16 N19 -","- C139 H97 B4 Co2 F16 N19 -","- C278 H194 B8 Co4 F32 N38 -","2","0.5","","Soejima, Keita; Sekine, Yoshihiro; Miyake, Kanta; Kiba, Kota; Yamaguchi, Yuito; Zenno, Hikaru; Hayami, Shinya","Observation of spin-crossover behaviour in Co(ii)-terpyridine complexes possessing π-conjugated substations","RSC Advances","2025","15","43","35892","35898","10.1039/D4RA08657K","","x-ray","0.71073","MoKα","","0.1142","0.0804","","","0.233","0.2624","","","","","","1.033","","","","has coordinates","302308","2025-09-30","02:07:47",""
"7250918","11.6446","0.0013","9.385","0.0012","10.0559","0.0014","90","","98.075","0.008","90","","1088.1","0.2","296.15","0.1","296.15","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng","An unconventional photochemical amide synthesis from excited-state nitroarenes","Green Chemistry","2025","27","42","13427","13435","10.1039/D5GC03649F","","x-ray","0.71073","MoKα","","0.1674","0.0632","","","0.1197","0.1601","","","","","","1.014","","","","has coordinates","303838","2025-11-29","21:26:51",""
"7250919","11.6455","0.0011","9.2112","0.0008","18.6069","0.0017","90","","90","","90","","1995.9","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C88 H104 N8 O16 -","8","1","","Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng","An unconventional photochemical amide synthesis from excited-state nitroarenes","Green Chemistry","2025","27","42","13427","13435","10.1039/D5GC03649F","","","0.71073","MoKα","","0.0527","0.0432","","","0.1162","0.1256","","","","","","1.04","","","","has coordinates","303838","2025-11-29","21:26:51",""
"7250920","9.9637","0.0016","5.741","0.0009","15.679","0.002","90","","90","","90","","896.9","0.2","296.15","0.1","296.15","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng","An unconventional photochemical amide synthesis from excited-state nitroarenes","Green Chemistry","2025","27","42","13427","13435","10.1039/D5GC03649F","","x-ray","0.71073","MoKα","","0.0338","0.0301","","","0.0735","0.0762","","","","","","1.057","","","","has coordinates","303838","2025-11-29","21:26:51",""
"7250921","7.314","0.006","12.846","0.009","10.041","0.008","90","","92.34","0.02","90","","942.6","1.3","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng","An unconventional photochemical amide synthesis from excited-state nitroarenes","Green Chemistry","2025","27","42","13427","13435","10.1039/D5GC03649F","","x-ray","0.71073","MoKα","","0.1526","0.0625","","","0.1474","0.2066","","","","","","1.013","","","","has coordinates","303838","2025-11-29","21:26:51",""
"7250922","5.158","0.004","16.263","0.013","11.109","0.01","90","","99.35","0.06","90","","919.5","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C40 H28 N4 O12 -","4","1","","Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng","An unconventional photochemical amide synthesis from excited-state nitroarenes","Green Chemistry","2025","27","42","13427","13435","10.1039/D5GC03649F","","","0.71073","MoKα","","0.1516","0.0944","","","0.259","0.2929","","","","","","1.69","","","","has coordinates","303838","2025-11-29","21:26:51",""
"7250923","7.4227","0.0011","6.7898","0.0011","18.749","0.003","90","","90","","90","","944.9","0.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H10 F N O2 -","- C10 H10 F N O2 -","- C40 H40 F4 N4 O8 -","4","0.5","","Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng","An unconventional photochemical amide synthesis from excited-state nitroarenes","Green Chemistry","2025","27","42","13427","13435","10.1039/D5GC03649F","","x-ray","0.71073","MoKα","","0.0834","0.0572","","","0.14","0.1552","","","","","","1.026","","","","has coordinates","303838","2025-11-29","21:26:51",""
"7250924","7.4116","0.0002","12.5682","0.0004","12.6455","0.0004","90","","92.181","0.002","90","","1177.08","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng","An unconventional photochemical amide synthesis from excited-state nitroarenes","Green Chemistry","2025","27","42","13427","13435","10.1039/D5GC03649F","","x-ray","0.71073","MoKα","","0.0618","0.0434","","","0.109","0.1206","","","","","","1.039","","","","has coordinates","303838","2025-11-29","21:26:51",""
"7250925","12.478","0.003","6.1791","0.0018","13.853","0.003","90","","113.521","0.008","90","","979.4","0.4","160","2","159.95","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O -","- C12 H9 N3 O -","- C48 H36 N12 O4 -","4","1","","Santra, Souvik; Mondal, Rintu; Guchhait, Nikhil","Proton transfer across four-member hydrogen bonded network prefers over six-member hydrogen bonded network: Lactim-Lactam vs Imine-Amine photoisomerization","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP02420J","","","0.71073","MoKα","","0.1295","0.0843","","","0.2222","0.2976","","","","","","1.1664","","","","has coordinates","302324","2025-10-01","01:13:21",""
"7250926","11.45","0.004","4.9755","0.0015","18.12","0.006","90","","104.206","0.011","90","","1000.7","0.6","160","2","159.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N2 O S -","- C12 H8 N2 O S -","- C48 H32 N8 O4 S4 -","4","1","","Santra, Souvik; Mondal, Rintu; Guchhait, Nikhil","Proton transfer across four-member hydrogen bonded network prefers over six-member hydrogen bonded network: Lactim-Lactam vs Imine-Amine photoisomerization","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP02420J","","","0.71073","MoKα","","0.1288","0.0764","","","0.2001","0.2532","","","","","","1.07","","","","has coordinates","302324","2025-10-01","01:13:22",""
"7250927","19.78","0.002","4.9187","0.0006","19.121","0.002","90","","115.035","0.007","90","","1685.5","0.3","173","2","172.65","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O4 -","- C22 H16 O4 -","- C88 H64 O16 -","4","1","","Demidov, Oleksii O.; Chepeleva, Ludmila V.; Shishkina, Svitlana V.; Gladkov, Eugene S.; Kyrychenko, Alexander; Linnik, Rostyslav P.; Roshal, Alexander D.","Influence of C3′- and C4′-substitutions on fluorescence, crystal packing, and physicochemical properties of flavonol","RSC Advances","2025","15","43","36300","36318","10.1039/D5RA05790F","","","0.71073","MoKα","","0.0972","0.0593","","","0.1417","0.1688","","","","","","1.04","","","","has coordinates,has disorder","302325","2025-10-01","01:33:26",""
"7250928","11.2635","0.0006","4.988","0.0003","22.0194","0.0012","90","","95.119","0.003","90","","1232.17","0.12","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O4 -","- C16 H12 O4 -","- C64 H48 O16 -","4","1","","Demidov, Oleksii O.; Chepeleva, Ludmila V.; Shishkina, Svitlana V.; Gladkov, Eugene S.; Kyrychenko, Alexander; Linnik, Rostyslav P.; Roshal, Alexander D.","Influence of C3′- and C4′-substitutions on fluorescence, crystal packing, and physicochemical properties of flavonol","RSC Advances","2025","15","43","36300","36318","10.1039/D5RA05790F","","","0.71073","MoKα","","0.0522","0.0417","","","0.1038","0.1142","","","","","","1.042","","","","has coordinates","302325","2025-10-01","01:33:26",""
"7250929","10.4787","0.0005","10.9459","0.0005","12.6061","0.0007","104.133","0.002","108.619","0.002","97.17","0.002","1296.01","0.12","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Huang, Long; Zhang, Qian; Zhang, Yang-Lu; Cai, Meng-Tan; Shi, Le; Yang, Jiong; Shao, Dong","Controlling topological diversity and magnetic properties in three Tb(iii) metal–organic frameworks through amide ligand variation","CrystEngComm","2025","27","44","7228","7236","10.1039/D5CE00881F","","x-ray","0.71073","MoKα","","0.0313","0.0272","","","0.0619","0.0637","","","","","","1.068","","","","has coordinates,has disorder","303676","2025-11-29","19:03:53",""
"7250930","27.737","0.008","10.588","0.003","22.263","0.006","90","","99.577","0.011","90","","6447","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H31.4 N2 O12.7 Tb -","- C22 H28 N2 O11 Tb -","- C176 H224 N16 O88 Tb8 -","8","1","","Huang, Long; Zhang, Qian; Zhang, Yang-Lu; Cai, Meng-Tan; Shi, Le; Yang, Jiong; Shao, Dong","Controlling topological diversity and magnetic properties in three Tb(iii) metal–organic frameworks through amide ligand variation","CrystEngComm","2025","27","44","7228","7236","10.1039/D5CE00881F","","x-ray","0.71073","MoKα","","0.0771","0.0652","","","0.1532","0.1589","","","","","","1.177","","","","has coordinates,has disorder","303676","2025-11-29","19:03:54",""
"7250931","11.2214","0.001","14.5112","0.0011","18.8206","0.0018","94.384","0.003","106.455","0.003","110.71","0.003","2695.4","0.4","289","2","289","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H61 N5 O25 Tb2 -","- C44 H61 N5 O25 Tb2 -","- C88 H122 N10 O50 Tb4 -","2","1","","Huang, Long; Zhang, Qian; Zhang, Yang-Lu; Cai, Meng-Tan; Shi, Le; Yang, Jiong; Shao, Dong","Controlling topological diversity and magnetic properties in three Tb(iii) metal–organic frameworks through amide ligand variation","CrystEngComm","2025","27","44","7228","7236","10.1039/D5CE00881F","","x-ray","0.71073","MoKα","","0.082","0.0711","","","0.1969","0.2037","","","","","","1.065","","","","has coordinates,has disorder","303676","2025-11-29","19:03:54",""
"7250932","17.0372","0.0003","17.9771","0.0004","21.5515","0.0004","90","","90","","90","","6600.8","0.2","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H67 N4 O8 Tb -","- C73 H67 N4 O8 Tb -","- C292 H268 N16 O32 Tb4 -","4","1","","Wang, Taoyu; Peng, Yanhong; Wang, Yang; Gao, Congli; Li, Xi-Li","Impact of nuclear number on SHG and THG performances: a comparative study of chiral mono- and dinuclear TbIII complexes with identical organic ligands","CrystEngComm","2025","27","44","7213","7218","10.1039/D5CE00697J","","","0.71073","MoKα","","0.0627","0.0411","","","0.0897","0.0922","","","","","","1.001","","","","has coordinates","303677","2025-11-29","19:04:08",""
"7250933","13.8331","0.0012","20.3348","0.0013","20.2449","0.0012","90","","97.612","0.013","90","","5644.6","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C118 H104 N4 O16 Tb2 -","- C118 H104 N4 O16 Tb2 -","- C236 H208 N8 O32 Tb4 -","2","1","","Wang, Taoyu; Peng, Yanhong; Wang, Yang; Gao, Congli; Li, Xi-Li","Impact of nuclear number on SHG and THG performances: a comparative study of chiral mono- and dinuclear TbIII complexes with identical organic ligands","CrystEngComm","2025","27","44","7213","7218","10.1039/D5CE00697J","","","0.71073","MoKα","","0.0545","0.0466","","","0.1033","0.1057","","","","","","1.097","","","","has coordinates","303677","2025-11-29","19:04:09",""
"7250934","16.5689","0.0009","9.407","0.0004","17.1548","0.0011","90","","108.421","0.007","90","","2536.8","0.3","343.01","0.1","343.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(PrMeNC4H8)2[ZnBr4]","","- C16 H36 Br4 N2 Zn -","- C16 H36 Br4 N2 Zn -","- C64 H144 Br16 N8 Zn4 -","4","1","","Wang, Lei; Hu, Wei-Yu; Zhou, Hua-Qing; Li, Wang; Zhang, Shi-Yong; Wang, Zhong-Xia","Thermal responsive cation flipping and dielectric constant in an organic–inorganic hybrid crystal","CrystEngComm","2025","27","44","7170","7177","10.1039/D5CE00814J","","x-ray","1.54184","CuKα","","0.1232","0.0721","","","0.2238","0.2747","","","","","","0.983","","","","has coordinates,has disorder","303672","2025-11-29","19:02:09",""
"7250935","16.12","0.004","9.3802","0.0006","17.127","0.002","90","","109.239","0.019","90","","2445.1","0.7","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(PrMeNC4H8)2[ZnBr4]","","- C16 H36 Br4 N2 Zn -","- C15.9993 H35.9985 Br4 N2 Zn -","- C63.9972 H143.994 Br16 N8 Zn4 -","4","1","","Wang, Lei; Hu, Wei-Yu; Zhou, Hua-Qing; Li, Wang; Zhang, Shi-Yong; Wang, Zhong-Xia","Thermal responsive cation flipping and dielectric constant in an organic–inorganic hybrid crystal","CrystEngComm","2025","27","44","7170","7177","10.1039/D5CE00814J","","","1.54178","CuKα","","0.0848","0.0613","","","0.1731","0.191","","","","","","1.071","","","","has coordinates,has disorder","303672","2025-11-29","19:02:10",""
"7250936","15.9088","0.0003","9.2491","0.0001","17.0343","0.0003","90","","109.705","0.002","90","","2359.69","0.07","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(PrMeNC4H8)2[ZnBr4]","","- C16 H36 Br4 N2 Zn -","- C16 H36 Br4 N2 Zn -","- C64 H144 Br16 N8 Zn4 -","4","1","","Wang, Lei; Hu, Wei-Yu; Zhou, Hua-Qing; Li, Wang; Zhang, Shi-Yong; Wang, Zhong-Xia","Thermal responsive cation flipping and dielectric constant in an organic–inorganic hybrid crystal","CrystEngComm","2025","27","44","7170","7177","10.1039/D5CE00814J","","","1.54184","CuKα","","0.0623","0.0576","","","0.1586","0.1616","","","","","","1.175","","","","has coordinates","303672","2025-11-29","19:02:11",""
"7250937","12.8121","0.0002","15.663","0.0002","20.3134","0.0004","90","","90","","90","","4076.41","0.11","298","1","298","1","","","","","","","","5","P n n a","-P 2a 2bc","52","ESRF-1","catena-[(m4-5,10,15,20-tetrakis(4-Pyridyl)porphyrin-N,N',N'',N''')-bis(chloro)-cadmium(ii)]","","- C40 H26 Cd Cl2 N8 -","- C40 H26 Cd Cl2 N8 -","- C160 H104 Cd4 Cl8 N32 -","4","0.5","","Ernst, Michelle; Poręba, Tomasz","Structural adaptation in a cadmium–porphyrin MOF through solvent-driven change of interpenetration","CrystEngComm","2025","27","43","7032","7037","10.1039/D5CE00815H","","x-ray","0.40988","synchrotron","","0.0739","0.0675","","","0.2276","0.2327","","","","","","1.129","","","","has coordinates,has disorder","303685","2025-11-29","19:07:52",""
"7250938","4.8396","0.0003","6.516","0.0003","19.4563","0.0012","90","","90","","90","","613.55","0.06","299.44","0.1","299.44","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 O5 -","- C5 H10 O5 -","- C20 H40 O20 -","4","1","","Wu, Qingfeng; Li, chuchu; Li, Xintong; Xiao, Yuting; Ding, Qin; Zhou, Qing","Photoluminescence and mechanism insights of isomers D- (-)-Arabinose and L-(+)-Arabinose crystals","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP03220B","","x-ray","0.71073","MoKα","","0.0346","0.0312","","","0.0738","0.0759","","","","","","1.074","","","","has coordinates","302349","2025-10-03","01:22:40",""
"7250939","4.8438","0.0002","6.522","0.0004","19.4436","0.0012","90","","90","","90","","614.25","0.06","299.5","0.1","299.5","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 O5 -","- C5 H10 O5 -","- C20 H40 O20 -","4","1","","Wu, Qingfeng; Li, chuchu; Li, Xintong; Xiao, Yuting; Ding, Qin; Zhou, Qing","Photoluminescence and mechanism insights of isomers D- (-)-Arabinose and L-(+)-Arabinose crystals","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP03220B","","x-ray","0.71073","MoKα","","0.04","0.0352","","","0.078","0.0814","","","","","","1.079","","","","has coordinates","302349","2025-10-03","01:22:43",""
"7250940","23.9515","0.0014","9.1618","0.0004","17.4802","0.0009","90","","111.285","0.006","90","","3574.2","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Cl O6 -","- C21 H17 Cl O6 -","- C168 H136 Cl8 O48 -","8","1","","Zhou, Huafeng; Huang, Jiayong; Su, Jian; Su, Xiaowei; Chen, Qiujuan; Li, Rui; Zheng, Yuxiao; Chen, Rui; Huo, Lini","Design and synthesis of novel angular 4,5-pyranocoumarin fluorescent probes for detecting hydrazine and their applications","RSC Advances","2025","15","43","36525","36533","10.1039/D5RA04433B","","x-ray","0.71073","MoKα","","0.0413","0.0356","","","0.0947","0.0987","","","","","","1.044","","","","has coordinates","302350","2025-10-03","01:43:06",""
"7250941","9.7103","0.0014","15.367","0.002","16.634","0.002","90","","106.66","0.002","90","","2377.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 F24 N10 O2 P4 -","- C34 H42 F24 N10 O2 P4 -","- C68 H84 F48 N20 O4 P8 -","2","0.5","","Wang, Fang; Hua, Kai","Tetraimidazolium macrocycle: a versatile building block and precursor for box-type coordination cages","RSC Advances","2025","15","44","36704","36709","10.1039/D5RA05896A","","","0.71073","MoKα","","0.05","0.0423","","","0.1354","0.1534","","","","","","1.084","","","","has coordinates","302351","2025-10-03","01:43:47",""
"7250942","9.99","0.0012","11.5725","0.0014","13.5773","0.0017","106.084","0.004","93.193","0.004","91.577","0.004","1504.4","0.3","153","2","153.04","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H70 N10 O21 S4 -","- C54 H70 N10 O21 S4 -","- C54 H70 N10 O21 S4 -","1","0.5","","Wang, Fang; Hua, Kai","Tetraimidazolium macrocycle: a versatile building block and precursor for box-type coordination cages","RSC Advances","2025","15","44","36704","36709","10.1039/D5RA05896A","","","0.71073","MoKα","","0.0868","0.0685","","","0.1772","0.1944","","","","","","1.032","","","","has coordinates,has disorder","302351","2025-10-03","01:43:48",""
"7250943","13.1874","0.001","13.5426","0.0009","16.645","0.0011","103.076","0.002","93.461","0.002","91.759","0.002","2887.3","0.3","166","2","166","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H60 N10 O17 S4 -","- C54 H60 N10 O17 S4 -","- C108 H120 N20 O34 S8 -","2","1","","Wang, Fang; Hua, Kai","Tetraimidazolium macrocycle: a versatile building block and precursor for box-type coordination cages","RSC Advances","2025","15","44","36704","36709","10.1039/D5RA05896A","","","0.71073","MoKα","","0.0984","0.0821","","","0.2112","0.2204","","","","","","1.052","","","","has coordinates","302351","2025-10-03","01:43:49",""
"7250944","14.7897","0.0005","16.456","0.0005","17.2188","0.0006","83.565","0.001","75.898","0.001","69.642","0.001","3808.8","0.2","153","2","153","","","","","","","","","5","P -1","-P 1","2","","","","- C176 H166 Ag4 B4 N26 -","- C176 H166 Ag4 B4 N26 -","- C176 H166 Ag4 B4 N26 -","1","0.5","","Wang, Fang; Hua, Kai","Tetraimidazolium macrocycle: a versatile building block and precursor for box-type coordination cages","RSC Advances","2025","15","44","36704","36709","10.1039/D5RA05896A","","","0.71073","MoKα","","0.0539","0.0377","","","0.0836","0.0927","","","","","","1.036","","","","has coordinates,has disorder","302351","2025-10-03","01:43:49",""
"7250945","13.5033","0.0006","13.5926","0.0006","16.9599","0.0007","77.384","0.001","86.634","0.001","61.567","0.001","2667.6","0.2","150","2","150.01","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H47 F6 N8 O12 P S3 -","- C45 H47 F6 N8 O12 P S3 -","- C90 H94 F12 N16 O24 P2 S6 -","2","1","","Wang, Fang; Hua, Kai","Tetraimidazolium macrocycle: a versatile building block and precursor for box-type coordination cages","RSC Advances","2025","15","44","36704","36709","10.1039/D5RA05896A","","","0.71073","MoKα","","0.0952","0.0706","","","0.178","0.1964","","","","","","1.026","","","","has coordinates,has disorder","302351","2025-10-03","01:43:50",""
"7250946","9.805","0.0017","10.4025","0.0018","10.8869","0.0019","78.332","0.005","85.743","0.006","88.576","0.005","1084.4","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Cl2 N2 O3 S -","- C23 H18 Cl2 N2 O3 S -","- C46 H36 Cl4 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0448","0.0408","","","0.0975","0.0999","","","","","","1.06","","","","has coordinates","303688","2025-11-29","19:08:51",""
"7250947","9.414","0.0019","10.97","0.002","20.797","0.004","90","","94.98","0.03","90","","2139.6","0.7","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Br Cl N2 O3 S -","- C23 H18 Br Cl N2 O3 S -","- C92 H72 Br4 Cl4 N8 O12 S4 -","4","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.7527","synchrotron","","0.0428","0.0349","","","0.0858","0.0908","","","","","","1.018","","","","has coordinates","303688","2025-11-29","19:08:52",""
"7250948","9.869","0.0006","10.478","0.0007","10.8827","0.0008","77.635","0.002","85.089","0.002","88.968","0.002","1095.21","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H18 Br Cl N2 O3 S -","- C23 H18 Br Cl N2 O3 S -","- C46 H36 Br2 Cl2 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0542","0.0371","","","0.0813","0.0867","","","","","","1.013","","","","has coordinates","303688","2025-11-29","19:08:52",""
"7250949","7.663","0.0004","10.8463","0.0006","13.3597","0.0007","105.308","0.002","93.899","0.002","91.273","0.002","1067.59","0.1","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Br2 N2 O3 S -","- C23 H18 Br2 N2 O3 S -","- C46 H36 Br4 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0401","0.0322","","","0.0843","0.0883","","","","","","1.049","","","","has coordinates","303688","2025-11-29","19:08:52",""
"7250950","9.9689","0.0016","10.4507","0.0015","10.9158","0.0019","77.441","0.007","85.094","0.007","88.691","0.007","1105.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Br2 N2 O3 S -","- C23 H18 Br2 N2 O3 S -","- C46 H36 Br4 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0423","0.0311","","","0.0832","0.0859","","","","","","1.017","","","","has coordinates","303688","2025-11-29","19:08:52",""
"7250951","9.8663","0.0008","10.374","0.0009","10.8917","0.0009","78.015","0.003","85.853","0.003","88.601","0.003","1087.59","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H18 Br Cl N2 O3 S -","- C23 H18 Br Cl N2 O3 S -","- C46 H36 Br2 Cl2 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0463","0.0363","","","0.0833","0.0871","","","","","","1.063","","","","has coordinates","303688","2025-11-29","19:08:52",""
"7250952","7.7322","0.001","11.5483","0.0014","12.9685","0.0016","74.852","0.004","85.203","0.004","73.512","0.004","1071.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Br2 N2 O3 S -","- C23 H18 Br2 N2 O3 S -","- C46 H36 Br4 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0405","0.0301","","","0.0729","0.0767","","","","","","1.007","","","","has coordinates","303688","2025-11-29","19:08:52",""
"7250953","7.635","0.0004","10.878","0.0006","13.2457","0.0008","105.712","0.002","94.019","0.002","90.956","0.002","1055.66","0.1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H18 Br Cl N2 O3 S -","- C23 H18 Br Cl N2 O3 S -","- C46 H36 Br2 Cl2 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0374","0.0307","","","0.0768","0.0798","","","","","","1.04","","","","has coordinates","303688","2025-11-29","19:08:52",""
"7250954","10.1225","0.0008","10.4444","0.0008","10.9523","0.0008","76.93","0.002","85.086","0.002","88.512","0.002","1123.75","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H18 Br I N2 O3 S -","- C23 H18 Br I N2 O3 S -","- C46 H36 Br2 I2 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0423","0.0304","","","0.0792","0.084","","","","","","1.017","","","","has coordinates","303688","2025-11-29","19:08:52",""
"7250955","10.8473","0.0004","6.7443","0.0003","11.8655","0.0005","90","","95.9398","0.0013","90","","863.39","0.06","203","2","203","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 O15 S2 Y -","- C12 H15 O15 S2 Y -","- C24 H30 O30 S4 Y2 -","2","0.5","","Lee, Byoung Gwan; Kim, Dongwook; Bae, Jin Young; Jeong, Ji Woo; Lim, Dae-Woon","Coordinated water modulation for proton conductivity via post-synthetic transmetalation in yttrium-based coordination polymers","CrystEngComm","2025","27","36","5952","5958","10.1039/D5CE00639B","","","0.71073","MoKα","","0.0492","0.0337","","","0.0707","0.0837","","","","","","1.158","","","","has coordinates","302371","2025-10-04","13:53:40",""
"7250956","20.6899","0.0013","7.2134","0.0004","11.8766","0.0006","90","","93.194","0.002","90","","1769.76","0.17","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 K3 O12 S2 -","- C12 H9 K3 O12 S2 -","- C48 H36 K12 O48 S8 -","4","0.5","","Lee, Byoung Gwan; Kim, Dongwook; Bae, Jin Young; Jeong, Ji Woo; Lim, Dae-Woon","Coordinated water modulation for proton conductivity via post-synthetic transmetalation in yttrium-based coordination polymers","CrystEngComm","2025","27","36","5952","5958","10.1039/D5CE00639B","","","0.71073","MoKα","","0.0326","0.0291","","","0.0681","0.0705","","","","","","1.066","","","","has coordinates,has disorder","302371","2025-10-04","13:53:41",""
"7250957","6.8385","0.0002","8.6736","0.0003","27.7797","0.001","90","","90","","90","","1647.74","0.1","","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 N4 O7 -","- C18 H12 N4 O7 -","- C72 H48 N16 O28 -","4","1","","Ahmed, Ruby; Ali, Farman; Alam, Mohammad Jane; Tameem, Mohd; Ali, Abid; Ahmad, Musheer; Khan, Mohd Adeel","Fluorescence quenching aptitude of carbazole for the detection of nitro-aromatics: a comprehensive experimental analysis and computational studies validation.","RSC advances","2025","15","36","29479","29489","10.1039/d5ra01611h","","","0.71073","MoKα","","0.0597","0.0555","","","0.1451","0.1506","","","","","","1.0594","","","","has coordinates","302389","2025-10-06","02:13:00",""
"7250958","7.8555","0.0002","11.8073","0.0003","12.6358","0.0003","68.39","0.001","73.555","0.001","82.248","0.001","1044.43","0.05","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Br N2 O6 -","- C22 H21 Br N2 O6 -","- C44 H42 Br2 N4 O12 -","2","1","","Singh Tanwer, Yogesh Bhaskar; Sourabh, Suman; Bhunia, Sabyasachi; Pal, Sanchari; Das, Debjit","pTSA-catalyzed synthesis of functionalized chromeno[2,3-d]pyrimidine/chromeno[4,3-b]chromene derivatives via one-pot three component reaction: mechanistic insights and variable temperature NMR studies to investigate restricted bond rotation","RSC Advances","2025","15","44","37090","37098","10.1039/D5RA06198A","","","0.71073","MoKα","","0.0781","0.0521","","","0.1377","0.157","","","","","","1.037","","","","has coordinates","302829","2025-10-07","01:32:07",""
"7250959","14.6443","0.0013","16.4598","0.0015","16.4623","0.0015","100.736","0.005","114.653","0.004","97.526","0.005","3445.2","0.6","134","2","133.77","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H54 Co2 N6 O10 -","- C76 H54 Co2 N6 O10 -","- C152 H108 Co4 N12 O20 -","2","1","","Pal, Sujeet Kumar; Tiwari, Dhananjay; Mohan, Madan; Husain, Ahmad; Kharwar, Ajit Kumar","Regulating the structural dimensionality, gas sorption and magnetic behavior of Co(ii) coordination polymers","CrystEngComm","2025","27","45","7399","7407","10.1039/D5CE00809C","","","0.71073","MoKα","","0.1187","0.0647","","","0.1263","0.144","","","","","","1.017","","","","has coordinates,has disorder","303709","2025-11-29","19:17:13",""
"7250960","8.5731","0.0005","13.2356","0.0007","15.4444","0.0008","114.01","0.005","102.728","0.005","91.42","0.005","1548.58","0.17","176","100","176","100","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Co2 N3 O9 -","- C34 H33 Co2 N3 O9 -","- C68 H66 Co4 N6 O18 -","2","1","","Pal, Sujeet Kumar; Tiwari, Dhananjay; Mohan, Madan; Husain, Ahmad; Kharwar, Ajit Kumar","Regulating the structural dimensionality, gas sorption and magnetic behavior of Co(ii) coordination polymers","CrystEngComm","2025","27","45","7399","7407","10.1039/D5CE00809C","","x-ray","0.71073","MoKα","","0.1133","0.0884","","","0.2434","0.2605","","","","","","1.079","","","","has coordinates","303709","2025-11-29","19:17:15",""
"7250961","6.8851","0.0003","14.5259","0.0007","27.3637","0.0012","90","","94.163","0.005","90","","2729.5","0.2","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H50 Co4 N6 O18 -","- C60 H50 Co4 N6 O18 -","- C120 H100 Co8 N12 O36 -","2","0.5","","Pal, Sujeet Kumar; Tiwari, Dhananjay; Mohan, Madan; Husain, Ahmad; Kharwar, Ajit Kumar","Regulating the structural dimensionality, gas sorption and magnetic behavior of Co(ii) coordination polymers","CrystEngComm","2025","27","45","7399","7407","10.1039/D5CE00809C","","x-ray","0.71073","MoKα","","0.1477","0.0702","","","0.1505","0.1804","","","","","","1.147","","","","has coordinates","303709","2025-11-29","19:17:26",""
"7250962","7.286","0.004","15.961","0.01","6.859","0.004","90","","102.481","0.015","90","","778.8","0.8","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C2.8 H4 Ag0.2 N0.6 O0.8 -","- C2.8 H4 Ag0.2 N0.6 O0.8 -","- C28 H40 Ag2 N6 O8 -","10","5","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0649","0.0426","","","0.0848","0.0948","","","","","","1.161","","","","has coordinates","303713","2025-11-29","19:18:38",""
"7250963","13.562","0.002","14.966","0.002","7.0426","0.0011","90","","99.938","0.005","90","","1408","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ag Br2 N3 O3 -","- C10 H8 Ag Br2 N3 O3 -","- C40 H32 Ag4 Br8 N12 O12 -","4","0.5","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0439","0.0287","","","0.0589","0.0633","","","","","","1.057","","","","has coordinates","303713","2025-11-29","19:18:39",""
"7250964","7.3925","0.001","8.9234","0.0012","14.7986","0.0018","80.079","0.004","82.414","0.004","82.005","0.004","946.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Ag Br3 N4 O3 -","- C15 H12 Ag Br3 N4 O3 -","- C30 H24 Ag2 Br6 N8 O6 -","2","1","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0343","0.0249","","","0.0464","0.0493","","","","","","1.033","","","","has coordinates","303713","2025-11-29","19:18:39",""
"7250965","7.1676","0.0009","8.8598","0.0012","14.8779","0.0018","79.038","0.004","83.22","0.004","83.3","0.004","916.8","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Ag Cl3 N4 O3 -","- C15 H12 Ag Cl3 N4 O3 -","- C30 H24 Ag2 Cl6 N8 O6 -","2","1","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0273","0.0219","","","0.0453","0.0466","","","","","","1.075","","","","has coordinates","303713","2025-11-29","19:18:39",""
"7250966","8.2271","0.0007","13.9947","0.0012","13.1526","0.001","90","","93.875","0.003","90","","1510.9","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag N3 O3 -","- C14 H18 Ag N3 O3 -","- C56 H72 Ag4 N12 O12 -","4","1","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0652","0.0355","","","0.0709","0.08","","","","","","1.025","","","","has coordinates","303713","2025-11-29","19:18:39",""
"7250967","9.8316","0.001","14.5509","0.0013","10.4516","0.0011","90","","90","","90","","1495.2","0.3","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H18 Ag N3 O3 -","- C14 H18 Ag N3 O3 -","- C56 H72 Ag4 N12 O12 -","4","0.5","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0229","0.0171","","","0.0391","0.0417","","","","","","1.072","","","","has coordinates","303713","2025-11-29","19:18:39",""
"7250968","8.4006","0.0007","28.694","0.002","9.6056","0.0008","90","","110.131","0.003","90","","2173.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H108 Ag4 N16 O12 -","- C84 H108 Ag4 N16 O12 -","- C84 H108 Ag4 N16 O12 -","1","0.25","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0431","0.0278","","","0.0556","0.0603","","","","","","1.02","","","","has coordinates","303713","2025-11-29","19:18:39",""
"7250969","9.1118","0.0005","9.4747","0.0006","26.5196","0.0013","90","","94.91","0.005","90","","2281.1","0.2","299.49","0.1","299.49","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Br Cl3 I N3 Pt S -","- C20 H12 Br Cl3 I N3 Pt S -","- C80 H48 Br4 Cl12 I4 N12 Pt4 S4 -","4","1","","Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A.","Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes","CrystEngComm","2025","27","42","6942","6948","10.1039/D5CE00678C","","","0.71073","MoKα","","0.0441","0.0351","","","0.0695","0.0727","","","","","","1.129","","","","has coordinates","303690","2025-11-29","19:09:50",""
"7250970","9.2357","0.0002","9.5567","0.0002","26.4572","0.0005","90","","94.352","0.002","90","","2328.45","0.08","99.9","0.3","99.9","0.3","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Cl3 I2 N3 Pt S -","- C20 H12 Cl3 I2 N3 Pt S -","- C80 H48 Cl12 I8 N12 Pt4 S4 -","4","1","","Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A.","Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes","CrystEngComm","2025","27","42","6942","6948","10.1039/D5CE00678C","","x-ray","1.54184","CuKα","","0.0472","0.0432","","","0.1233","0.1263","","","","","","1.085","","","","has coordinates","303690","2025-11-29","19:09:50",""
"7250971","14.2022","0.0002","5.4179","0.0001","22.6784","0.0003","90","","95.358","0.001","90","","1737.39","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Br2 Cl N2 Pt -","- C18 H11 Br2 Cl N2 Pt -","- C72 H44 Br8 Cl4 N8 Pt4 -","4","1","","Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A.","Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes","CrystEngComm","2025","27","42","6942","6948","10.1039/D5CE00678C","","x-ray","1.54184","CuKα","","0.0243","0.0234","","","0.0587","0.0593","","","","","","1.054","","","","has coordinates","303690","2025-11-29","19:09:50",""
"7250972","9.0883","0.0003","9.8987","0.0004","13.0781","0.0005","73.195","0.003","81.969","0.003","88.63","0.003","1115.08","0.07","297.88","0.1","297.88","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Br Cl4 I N2 Pt -","- C19 H12 Br Cl4 I N2 Pt -","- C38 H24 Br2 Cl8 I2 N4 Pt2 -","2","1","","Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A.","Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes","CrystEngComm","2025","27","42","6942","6948","10.1039/D5CE00678C","","","0.71073","MoKα","","0.0289","0.0243","","","0.0505","0.0524","","","","","","1.047","","","","has coordinates","303690","2025-11-29","19:09:50",""
"7250973","9.1208","0.0003","9.1619","0.0003","25.3184","0.0009","90","","92.414","0.003","90","","2113.83","0.12","100.2","0.4","100.2","0.4","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Br2 N4 O2 Pt S -","- C20 H14 Br2 N4 O2 Pt S -","- C80 H56 Br8 N16 O8 Pt4 S4 -","4","1","","Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A.","Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes","CrystEngComm","2025","27","42","6942","6948","10.1039/D5CE00678C","","x-ray","0.71073","MoKα","","0.0544","0.0375","","","0.0597","0.0639","","","","","","1.094","","","","has coordinates","303690","2025-11-29","19:09:50",""
"7250974","11.7131","0.0015","12.9283","0.0016","23.679","0.003","81.723","0.002","86.491","0.002","89.546","0.002","3541.7","0.8","100.03","","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H95 Cl9 Cu4 N8 -","- C67 H95 Cl9 Cu4 N8 -","- C134 H190 Cl18 Cu8 N16 -","2","1","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0576","0.0455","","","0.1109","0.1181","","","","","","1.042","","","","has coordinates,has disorder","303684","2025-11-29","19:07:32",""
"7250975","26.7596","0.0017","16.0134","0.001","44.636","0.003","90","","95.211","0.001","90","","19048","2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C113 H145 Cu4 N8 -","- C113 H145 Cu4 N8 -","- C904 H1160 Cu32 N64 -","8","1","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0937","0.0774","","","0.2009","0.2164","","","","","","1.05","","","","has coordinates,has disorder","303684","2025-11-29","19:07:33",""
"7250976","18.8833","0.0004","25.3326","0.0006","18.958","0.0004","90","","91.053","0.001","90","","9067.3","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C95 H130 Ag4 Cl6 N8 -","- C94 H128 Ag4 Cl4 N8 -","- C376 H512 Ag16 Cl16 N32 -","4","0.5","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0409","0.0272","","","0.0541","0.0604","","","","","","1.082","","","","has coordinates","303684","2025-11-29","19:07:36",""
"7250977","14.9738","0.0017","12.7162","0.0015","23.893","0.003","90","","95.89","0.002","90","","4525.4","0.9","99.98","","99.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H69 Ag3 N6 -","- C48 H69 Ag3 N6 -","- C192 H276 Ag12 N24 -","4","1","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0405","0.031","","","0.0725","0.0773","","","","","","1.033","","","","has coordinates,has disorder","303684","2025-11-29","19:07:36",""
"7250978","15.8447","0.0005","16.6587","0.0005","17.2643","0.0005","73.325","0.001","80.088","0.002","68.762","0.001","4057","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C95.6 H127.6 Cu4 N8 -","- C92 H124 Cu4 N8 -","- C184 H248 Cu8 N16 -","2","1","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0465","0.0382","","","0.0951","0.0994","","","","","","1.033","","","","has coordinates,has disorder","303684","2025-11-29","19:07:36",""
"7250979","12.4236","0.001","12.7605","0.001","13.4789","0.0011","76.322","0.003","87.605","0.003","62.505","0.003","1836.1","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H32 N2 -","- C23 H32 N2 -","- C92 H128 N8 -","4","2","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","","0.71073","MoKα","","0.1037","0.0556","","","0.1116","0.1293","","","","","","1.025","","","","has coordinates","303684","2025-11-29","19:07:36",""
"7250980","13.0607","0.0009","17.7739","0.0012","19.3443","0.0013","90","","90","","90","","4490.6","0.5","100.01","","100.01","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C50 H74 Ag N5 O4 -","- C50 H74 Ag N5 O4 -","- C200 H296 Ag4 N20 O16 -","4","1","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0477","0.0354","","","0.0624","0.0658","","","","","","1.028","","","","has coordinates","303684","2025-11-29","19:07:36",""
"7250981","28.934","0.001","18.033","0.0006","23.2794","0.0008","90","","101.016","0.002","90","","11922.6","0.7","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C105 H162 Cl18 Cu6 N12 O6 -","- C105 H162 Cl18 Cu6 N12 O6 -","- C420 H648 Cl72 Cu24 N48 O24 -","4","0.5","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0517","0.0415","","","0.0919","0.0963","","","","","","1.047","","","","has coordinates","303684","2025-11-29","19:07:36",""
"7250982","14.1135","0.0005","9.5709","0.0003","15.7423","0.0005","90","","114.958","0.004","90","","1927.88","0.13","294.25","0.1","294.25","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","N-(pyrimidin-2-yl)pentanamide","","- C9 H13 N3 O -","- C9 H13 N3 O -","- C72 H104 N24 O8 -","8","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0519","0.0441","","","0.1278","0.136","","","","","","1.08","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250983","9.4878","0.0002","5.36366","0.00009","24.6068","0.0005","90","","97.8206","0.0019","90","","1240.58","0.04","210","0.1","210","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(pyrimidin-2-yl)octanamide","","- C12 H19 N3 O -","- C12 H19 N3 O -","- C48 H76 N12 O4 -","4","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0493","0.0417","","","0.1108","0.1166","","","","","","1.052","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250984","5.4877","0.0001","9.4348","0.0003","10.5745","0.0003","86.598","0.002","83.945","0.002","76.146","0.002","528.28","0.02","292.66","0.13","292.66","0.13","","","","","","","","4","P -1","-P 1","2","","N-(pyrimidin-2-yl)hexanamide","","- C10 H15 N3 O -","- C10 H15 N3 O -","- C20 H30 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0475","0.0438","","","0.1312","0.136","","","","","","1.059","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250985","11.8524","0.0002","18.7728","0.0002","6.6622","0.0001","90","","90","","90","","1482.36","0.04","210","0.1","210","0.1","","","","","","","","5","C c c m","-C 2 2c","66","","N-(5-bromopyrimidin-2-yl)acetamide","","- C6 H6 Br N3 O -","- C6 H6 Br N3 O -","- C48 H48 Br8 N24 O8 -","8","0.5","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0264","0.0259","","","0.0718","0.0723","","","","","","1.143","","","","has coordinates,has disorder","303682","2025-11-29","19:06:11",""
"7250986","4.22728","0.00007","9.25178","0.00015","15.5113","0.0002","83.8025","0.0013","88.238","0.0013","77.2224","0.0013","588.149","0.016","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5-bromopyrimidin-2-yl)hexanamide","","- C10 H14 Br N3 O -","- C10 H14 Br N3 O -","- C20 H28 Br2 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0237","0.0235","","","0.0614","0.0616","","","","","","1.076","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250987","11.91357","0.00016","12.78923","0.00014","13.5543","0.0002","116.358","0.0013","103.363","0.0012","100.543","0.001","1701.06","0.05","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5-bromopyrimidin-2-yl)propionamide","","- C7 H8 Br N3 O -","- C7 H8 Br N3 O -","- C56 H64 Br8 N24 O8 -","8","4","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0277","0.0257","","","0.07","0.0713","","","","","","1.059","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250988","8.51521","0.00009","26.9519","0.0002","9.59636","0.00007","90","","99.8219","0.0009","90","","2170.09","0.03","240","0.1","240","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(5-chloropyrimidin-2-yl)pentanamide","","- C9 H12 Cl N3 O -","- C9 H12 Cl N3 O -","- C72 H96 Cl8 N24 O8 -","8","2","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0495","0.0466","","","0.1302","0.1325","","","","","","1.047","","","","has coordinates,has disorder","303682","2025-11-29","19:06:11",""
"7250989","8.1664","0.0001","10.9587","0.0001","13.4268","0.0002","70.255","0.001","73.271","0.001","78.236","0.001","1075.49","0.02","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5-bromopyrimidin-2-yl)pentanamide","","- C9 H12 Br N3 O -","- C9 H12 Br N3 O -","- C36 H48 Br4 N12 O4 -","4","2","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0243","0.0232","","","0.0633","0.064","","","","","","1.05","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250990","9.43","0.0016","6.8202","0.0014","12.068","0.002","90","","98.06","0.016","90","","768.5","0.2","294.2","0.1","294.2","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","N-(pyrimidin-2-yl)propionamide","","- C7 H9 N3 O -","- C7 H9 N3 O -","- C28 H36 N12 O4 -","4","0.5","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0775","0.0615","","","0.1712","0.198","","","","","","1.045","","","","has coordinates,has disorder","303682","2025-11-29","19:06:11",""
"7250991","17.7106","0.0005","5.3994","0.0002","18.1317","0.0005","90","","96.21","0.003","90","","1723.7","0.09","294.1","0.2","294.1","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","N-(pyrimidin-2-yl)butyramide","","- C8 H11 N3 O -","- C8 H11 N3 O -","- C64 H88 N24 O8 -","8","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0434","0.0359","","","0.1005","0.1049","","","","","","1.06","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250992","4.59547","0.00011","8.48559","0.00018","12.8938","0.0004","89.593","0.002","87.432","0.002","76.571","0.002","488.56","0.02","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5-bromopyrimidin-2-yl)butyramide","","- C8 H10 Br N3 O -","- C8 H10 Br N3 O -","- C16 H20 Br2 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.025","0.0241","","","0.0657","0.0662","","","","","","1.111","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250993","5.4649","0.0002","10.9705","0.0004","12.1885","0.0004","92.709","0.003","102.343","0.003","100.682","0.003","698.59","0.04","210","0.1","210.15","","","","","","","","","5","P -1","-P 1","2","","N-(5-bromopyrimidin-2-yl)octanamide","","- C12 H18 Br N3 O -","- C12 H18 Br N3 O -","- C24 H36 Br2 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","","1.54184","CuKα","","0.0472","0.0407","","","0.1018","0.105","","","","","","1.033","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250994","11.7286","0.0001","12.7307","0.0001","13.5373","0.0001","116.572","0.001","103.249","0.001","99.737","0.001","1671.82","0.03","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5- chloropyrimidin-2-yl)propionamide","","- C7 H8 Cl N3 O -","- C7 H8 Cl N3 O -","- C56 H64 Cl8 N24 O8 -","8","4","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0343","0.0326","","","0.0945","0.0961","","","","","","1.091","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250995","11.5229","0.0001","18.7942","0.0003","6.594","0.0001","90","","90","","90","","1428.02","0.03","210","0.1","210","0.1","","","","","","","","5","C c c m","-C 2 2c","66","","N-(5-chloropyrimidin-2-yl)acetamide","","- C6 H6 Cl N3 O -","- C6 H6 Cl N3 O -","- C48 H48 Cl8 N24 O8 -","8","0.5","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0397","0.0385","","","0.1004","0.102","","","","","","1.147","","","","has coordinates,has disorder","303682","2025-11-29","19:06:11",""
"7250996","4.4817","0.0001","8.3337","0.0001","12.9705","0.0002","89.426","0.001","87.812","0.001","77.427","0.001","472.475","0.014","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5-chloropyrimidin-2-yl)butyramide","","- C8 H10 Cl N3 O -","- C8 H10 Cl N3 O -","- C16 H20 Cl2 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0306","0.0301","","","0.0817","0.0821","","","","","","1.103","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250997","11.27079","0.00012","5.29124","0.00005","21.5186","0.0002","90","","104.083","0.001","90","","1244.72","0.02","210","0.1","210","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(5-bromopyrimidin-2-yl)heptanamide","","- C11 H16 Br N3 O -","- C11 H16 Br N3 O -","- C44 H64 Br4 N12 O4 -","4","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0315","0.0287","","","0.0744","0.0767","","","","","","1.082","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250998","4.7917","0.0001","7.8274","0.0002","18.7292","0.0004","98.463","0.002","97.059","0.002","100.985","0.002","673.8","0.03","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5-chloropyrimidin-2-yl)octanamide","","- C12 H18 Cl N3 O -","- C12 H18 Cl N3 O -","- C24 H36 Cl2 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0408","0.0374","","","0.0989","0.101","","","","","","1.063","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250999","11.8655","0.0002","4.9261","0.00008","20.0131","0.0003","90","","104.12","0.0016","90","","1134.44","0.03","210","0.1","210","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(5-chloropyrimidin-2-yl)hexanamide","","- C10 H14 Cl N3 O -","- C10 H14 Cl N3 O -","- C40 H56 Cl4 N12 O4 -","4","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0349","0.0319","","","0.0879","0.0902","","","","","","1.05","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7251000","5.404","0.0003","9.4516","0.0004","11.8359","0.0003","86.634","0.003","78.835","0.003","74.9","0.004","572.59","0.04","210","0.1","210","0.1","","","","","","","","4","P -1","-P 1","2","","N-(pyrimidin-2-yl)heptanamide","","- C11 H17 N3 O -","- C11 H17 N3 O -","- C22 H34 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0544","0.0474","","","0.1306","0.1361","","","","","","1.074","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7251001","14.1859","0.0002","4.43507","0.00005","20.7479","0.0004","90","","107.348","0.0018","90","","1245.98","0.04","210","0.1","210","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(5-chloropyrimidin-2-yl)heptanamide","","- C11 H16 Cl N3 O -","- C11 H16 Cl N3 O -","- C44 H64 Cl4 N12 O4 -","4","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.035","0.0322","","","0.0891","0.0918","","","","","","1.052","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7251002","26.6198","0.0002","10.98094","0.00008","8.05204","0.00005","90","","93.5077","0.0007","90","","2349.29","0.03","210","0.1","210","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(5-bromopyrimidin-2-yl)hexanamide","","- C10 H14 Br N3 O -","- C10 H14 Br N3 O -","- C80 H112 Br8 N24 O8 -","8","2","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0331","0.0307","","","0.0884","0.0904","","","","","","1.09","","","","has coordinates,has disorder","303682","2025-11-29","19:06:11",""
"7251003","13.0114","0.0003","13.0114","0.0003","29.2398","0.0009","90","","90","","90","","4950.2","0.2","180","","180","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","apremilast hemikis(2-chlorobenzoic acid)","N-{2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide hemikis(2-chlorobenzoic acid)","","- C25.5 H26.5 Cl0.5 N2 O8 S -","- C25.5 H26.5 Cl0.5 N2 O8 S -","- C204 H212 Cl4 N16 O64 S8 -","8","1","","Naumkina, Yelizaveta; Kratochvíl, Bohumil; Korotkova, Elena; Čejka, Jan","New forms of apremilast with halogen derivatives of benzoic acid","CrystEngComm","2025","27","47","7713","7720","10.1039/D5CE00770D","","","1.5418","CuKα","","0.046","0.0456","","0.1304","0.13","0.1304","","","","","","0.9999","","","","has coordinates","304096","2025-12-06","22:39:06",""
"7251004","13.0171","0.0001","13.0171","0.0001","29.3731","0.0005","90","","90","","90","","4977.12","0.1","180","","180","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","apremilast hemikis(3-chlorobenzoic acid)","N-{2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide hemikis(3-chlorobenzoic acid)","","- C25.5 H26.5 Cl0.5 N2 O8 S -","- C25.5 H26.5 Cl0.5 N2 O8 S -","- C204 H212 Cl4 N16 O64 S8 -","8","1","","Naumkina, Yelizaveta; Kratochvíl, Bohumil; Korotkova, Elena; Čejka, Jan","New forms of apremilast with halogen derivatives of benzoic acid","CrystEngComm","2025","27","47","7713","7720","10.1039/D5CE00770D","","","1.5418","CuKα","","0.0445","0.039","","0.0979","0.0882","0.0979","","","","","","1.0001","","","","has coordinates","304096","2025-12-06","22:39:07",""
"7251005","13.0239","0.0002","13.0239","0.0002","29.5351","0.0007","90","","90","","90","","5009.8","0.16","180","","180","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","apremilast hemikis(3-bromobenzoic acid)","N-{2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide hemikis(3-bromobenzoic acid)","","- C25.5 H26.5 Br0.5 N2 O8 S -","- C25.5 H26.5 Br0.5 N2 O8 S -","- C204 H212 Br4 N16 O64 S8 -","8","1","","Naumkina, Yelizaveta; Kratochvíl, Bohumil; Korotkova, Elena; Čejka, Jan","New forms of apremilast with halogen derivatives of benzoic acid","CrystEngComm","2025","27","47","7713","7720","10.1039/D5CE00770D","","","1.5418","CuKα","","0.0842","0.0832","","0.1981","0.1975","0.1981","","","","","","1","","","","has coordinates","304096","2025-12-06","22:39:07",""
"7251006","13.1247","0.0005","13.4043","0.0005","28.9113","0.0011","90","","90","","90","","5086.3","0.3","180","","180","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","bis(apremilast) 4-chlorobenzoic acid","bis(N-{2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide) 4-chlorobenzoic acid","","- C25.5 H26.5 Cl0.5 N2 O8 S -","- C25.5 H26.5 Cl0.5 N2 O8 S -","- C204 H212 Cl4 N16 O64 S8 -","8","2","","Naumkina, Yelizaveta; Kratochvíl, Bohumil; Korotkova, Elena; Čejka, Jan","New forms of apremilast with halogen derivatives of benzoic acid","CrystEngComm","2025","27","47","7713","7720","10.1039/D5CE00770D","","","1.5418","CuKα","","0.0306","0.0305","","0.0837","0.0835","0.0837","","","","","","1.0114","","","","has coordinates","304096","2025-12-06","22:39:07",""
"7251007","13.2266","0.0003","13.4694","0.0003","28.8772","0.0006","90","","90","","90","","5144.6","0.2","180","","180","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","bis(apremilast) 4-bromobenzoic acid","bis(N-{2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide) 4-bromobenzoic acid","","- C25.5 H26.5 Br0.5 N2 O8 S -","- C25.5 H26.5 Br0.5 N2 O8 S -","- C204 H212 Br4 N16 O64 S8 -","8","2","","Naumkina, Yelizaveta; Kratochvíl, Bohumil; Korotkova, Elena; Čejka, Jan","New forms of apremilast with halogen derivatives of benzoic acid","CrystEngComm","2025","27","47","7713","7720","10.1039/D5CE00770D","","","1.5418","CuKα","","0.0423","0.0414","","0.1185","0.1181","0.1185","","","","","","1","","","","has coordinates","304096","2025-12-06","22:39:07",""
"7251008","21.636","0.004","15.445","0.002","27.323","0.004","90","","99.797","0.005","90","","8997","2","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H29 Dy3 F54 N8 O22 -","- C63 H29 Dy3 F54 N8 O22 -","- C252 H116 Dy12 F216 N32 O88 -","4","0.5","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.1063","0.0684","","","0.1584","0.1713","","","","","","1.025","","","","has coordinates,has disorder","304099","2025-12-06","22:40:45",""
"7251009","20.1753","0.0011","21.9101","0.0012","23.9762","0.0016","90","","90","","90","","10598.5","1.1","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C93 H86 F42 N4 O13 Yb2 -","- C93 H86 F42 N4 O13 Yb2 -","- C372 H344 F168 N16 O52 Yb8 -","4","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.0926","0.0571","","","0.1194","0.1345","","","","","","1.023","","","","has coordinates,has disorder","304099","2025-12-06","22:40:48",""
"7251010","20.1867","0.0019","21.914","0.002","23.957","0.003","90","","90","","90","","10597.9","1.9","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C93 H92 F42 N4 O13 Yb2 -","- C93 H92 F42 N4 O13 Yb2 -","- C372 H368 F168 N16 O52 Yb8 -","4","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.1977","0.0832","","","0.1586","0.2058","","","","","","0.973","","","","has coordinates,has disorder","304099","2025-12-06","22:40:49",""
"7251011","20.3763","0.0006","21.8829","0.0006","23.9653","0.0008","90","","90","","90","","10685.9","0.6","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C93 H92 Dy2 F42 N4 O13 -","- C93 H92 Dy2 F42 N4 O13 -","- C372 H368 Dy8 F168 N16 O52 -","4","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.0609","0.0386","","","0.0793","0.09","","","","","","1.04","","","","has coordinates,has disorder","304099","2025-12-06","22:40:49",""
"7251012","24.4464","0.001","18.0114","0.0007","32.9488","0.0012","90","","110.32","0.002","90","","13605","0.9","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H34 F84 N8 O34 Yb6 -","- C88 H34 F84 N8 O34 Yb6 -","- C352 H136 F336 N32 O136 Yb24 -","4","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.1691","0.0669","","","0.1413","0.1827","","","","","","1.049","","","","has coordinates,has disorder","304099","2025-12-06","22:40:49",""
"7251013","12.0886","0.0007","13.4975","0.0006","21.222","0.001","90","","93.84","0.003","90","","3454.9","0.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H22 Cl2 Dy2 F36 N8 O14 -","- C50 H22 Cl2 Dy2 F36 N8 O14 -","- C100 H44 Cl4 Dy4 F72 N16 O28 -","2","0.5","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.0913","0.0568","","","0.147","0.1709","","","","","","1.056","","","","has coordinates,has disorder","304099","2025-12-06","22:40:49",""
"7251014","33.7474","0.0018","10.9749","0.0006","20.4309","0.0012","90","","90","","90","","7567.1","0.7","150","2","150","2","","","","","","","synthesis as described","7","P b c n","-P 2n 2ab","60","","","","- C33 H20 F9 N4 O7 S3 Yb -","- C33 H20 F9 N4 O7 S3 Yb -","- C264 H160 F72 N32 O56 S24 Yb8 -","8","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.1362","0.0654","","","0.1691","0.2153","","","","","","0.915","","","","has coordinates","304099","2025-12-06","22:40:49",""
"7251015","11.695","0.0009","15.9999","0.0012","16.7054","0.0013","71.873","0.002","70.644","0.002","81.626","0.003","2799.7","0.4","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C39 H14 F36 N4 O13 Yb2 -","- C39 H14 F36 N4 O13 Yb2 -","- C78 H28 F72 N8 O26 Yb4 -","2","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.0808","0.056","","","0.132","0.1573","","","","","","1.104","","","","has coordinates,has disorder","304099","2025-12-06","22:40:49",""
"7251016","20.373","0.003","21.863","0.003","23.974","0.003","90","","90","","90","","10678","3","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C93 H92 Dy2 F42 N4 O13 -","- C93 H92 Dy2 F42 N4 O13 -","- C372 H368 Dy8 F168 N16 O52 -","4","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.1908","0.0816","","","0.1413","0.1841","","","","","","1.004","","","","has coordinates,has disorder","304099","2025-12-06","22:40:49",""
"7251017","16.4799","0.0009","19.9305","0.0011","43.082","0.002","90","","93.33","0.003","90","","14126.5","1.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H34 Dy6 F84 N8 O34 -","- C88 H34 Dy6 F84 N8 O34 -","- C352 H136 Dy24 F336 N32 O136 -","4","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.1557","0.0853","","","0.2202","0.2713","","","","","","1.042","","","","has coordinates,has disorder","304099","2025-12-06","22:40:49",""
"7251018","10.5935","0.0001","14.8164","0.0001","9.1423","0.0001","90","","114.945","0.001","90","","1301.09","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Br2 N O2 -","- C13 H13 Br2 N O2 -","- C52 H52 Br8 N4 O8 -","4","1","","Jia, Longxia; Liu, Hongling; Shi, Weiwei; Xu, Yingru; Sun, Ruihan; Zuo, Jia; Wang, Bin; Huang, Jianjian; Zhong, Fangrui; Wang, Dangui","A bifunctional recyclable Gemini surfactant catalyst for oxidative nitroso Diels–Alder reactions in water","Green Chemistry","2025","27","43","13885","13892","10.1039/D5GC03912F","","x-ray","1.54184","CuKα","","0.0226","0.0222","","","0.0585","0.0588","","","","","","1.085","","","","has coordinates","303836","2025-11-29","21:26:23",""
"7251019","17.309","0.0003","12.0431","0.0001","20.6182","0.0003","90","","105.402","0.001","90","","4143.59","0.1","294.7","0.3","294.7","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 N3 O -","- C27 H21 N3 O -","- C216 H168 N24 O8 -","8","1","","Zou, Pei-Sen; Geng, Yi-Fan; Liu, Xiao-Qing; Su, Jun-Cheng; Pan, Cheng-Xue; Mo, Dong-Liang; Su, Gui-Fa","An unexpected transition-metal free regioselective cyclization of alkynyl-tethered indoles to prepare indole-fused azepino[2,1-b]quinazolinones and spiroindole-pyrrolo[2,1-b]quinazolinones","Green Chemistry","2025","27","45","14556","14563","10.1039/D5GC04267D","","x-ray","1.54184","CuKα","","0.0634","0.0554","","","0.1421","0.1464","","","","","","0.983","","","","has coordinates","303842","2025-11-29","21:27:51",""
"7251020","11.4831","0.0003","11.2094","0.0004","15.2029","0.0005","90","","92.885","0.003","90","","1954.42","0.11","294.24","0.16","294.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N3 O -","- C25 H17 N3 O -","- C100 H68 N12 O4 -","4","1","","Zou, Pei-Sen; Geng, Yi-Fan; Liu, Xiao-Qing; Su, Jun-Cheng; Pan, Cheng-Xue; Mo, Dong-Liang; Su, Gui-Fa","An unexpected transition-metal free regioselective cyclization of alkynyl-tethered indoles to prepare indole-fused azepino[2,1-b]quinazolinones and spiroindole-pyrrolo[2,1-b]quinazolinones","Green Chemistry","2025","27","45","14556","14563","10.1039/D5GC04267D","","","1.54184","CuKα","","0.1347","0.128","","","0.316","0.3203","","","","","","1.081","","","","has coordinates","303842","2025-11-29","21:27:52",""
"7251021","27.2009","0.0005","8.2531","0.0002","14.6469","0.0002","90","","91.613","0.002","90","","3286.81","0.11","152.99","0.1","152.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 F3 N2 -","- C18 H21 F3 N2 -","- C144 H168 F24 N16 -","8","1","","Wu, Ziyan; Fang, Guodong; Li, Xindi; Wu, Yuhao; Li, Jinshan; Feng, Yan; Xie, Jialin; Zhou, Xueqing; Wen, Zhenchang; Jia, Chunman","Different paths lead to the same destination: a highly efficient TMSOTf/HFIP catalytic system for large-scale synthesis of fluoroalkyl-containing 4,4′-methylenedianiline (MDA) monomers","Green Chemistry","2025","27","43","13751","13761","10.1039/D5GC03637B","","x-ray","1.54184","CuKα","","0.0515","0.0424","","","0.1163","0.1223","","","","","","1.058","","","","has coordinates","303835","2025-11-29","21:26:07",""
"7251022","12.3495","0.0002","7.3054","0.0001","15.1869","0.0002","90","","93.228","0.001","90","","1367.96","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 F2 N2 -","- C16 H18 F2 N2 -","- C64 H72 F8 N8 -","4","1","","Wu, Ziyan; Fang, Guodong; Li, Xindi; Wu, Yuhao; Li, Jinshan; Feng, Yan; Xie, Jialin; Zhou, Xueqing; Wen, Zhenchang; Jia, Chunman","Different paths lead to the same destination: a highly efficient TMSOTf/HFIP catalytic system for large-scale synthesis of fluoroalkyl-containing 4,4′-methylenedianiline (MDA) monomers","Green Chemistry","2025","27","43","13751","13761","10.1039/D5GC03637B","","","1.54178","CuKα","","0.0407","0.0379","","","0.1008","0.1034","","","","","","1.017","","","","has coordinates","303835","2025-11-29","21:26:12",""
"7251023","10.4817","0.0004","12.0401","0.0005","16.6754","0.0006","90","","90","","90","","2104.45","0.14","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N2 O -","- C11 H14 N2 O -","- C88 H112 N16 O8 -","8","1","","Hu, Qi-Long; Deng, Jun-Jie; Ye, Jia; Li, Jian; Chan, Albert S. C.; Su, Hang; Xiong, Xiao-Feng","Chemoselective Minisci alkylation in aqueous medium: a general strategy for functionalization of complex N-heteroarenes and biomolecules","Green Chemistry","2025","27","43","13944","13952","10.1039/D5GC04621A","","x-ray","1.54184","CuKα","","0.0589","0.0511","","","0.1398","0.1465","","","","","","1.065","","","","has coordinates,has disorder","303834","2025-11-29","21:25:55",""
"7251024","4.8344","0.0002","8.9159","0.0003","11.6752","0.0004","76.951","0.003","82.321","0.003","80.632","0.003","481.24","0.03","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C22 H24 N4 O2 -","2","1","","Hu, Qi-Long; Deng, Jun-Jie; Ye, Jia; Li, Jian; Chan, Albert S. C.; Su, Hang; Xiong, Xiao-Feng","Chemoselective Minisci alkylation in aqueous medium: a general strategy for functionalization of complex N-heteroarenes and biomolecules","Green Chemistry","2025","27","43","13944","13952","10.1039/D5GC04621A","","x-ray","1.54184","CuKα","","0.0454","0.0404","","","0.1156","0.1197","","","","","","1.062","","","","has coordinates","303834","2025-11-29","21:25:55",""
"7251025","9.882","0.0003","11.9858","0.0004","12.755","0.0004","81.611","0.003","78.193","0.003","67.255","0.003","1360.05","0.08","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 F3 N2 O2 -","- C13 H15 F3 N2 O2 -","- C52 H60 F12 N8 O8 -","4","2","","Hu, Qi-Long; Deng, Jun-Jie; Ye, Jia; Li, Jian; Chan, Albert S. C.; Su, Hang; Xiong, Xiao-Feng","Chemoselective Minisci alkylation in aqueous medium: a general strategy for functionalization of complex N-heteroarenes and biomolecules","Green Chemistry","2025","27","43","13944","13952","10.1039/D5GC04621A","","x-ray","1.54184","CuKα","","0.0462","0.0414","","","0.1106","0.1151","","","","","","1.046","","","","has coordinates","303834","2025-11-29","21:25:55",""
"7251026","23.793","0.003","6.0607","0.0006","22.675","0.002","90","","94.841","0.004","90","","3258.1","0.6","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Das, Akash; Chatterjee, Shreyoshi; Guchhait, Nikhil","Janus Particle Type Behavior of a Model Flavone Derivative with Distinct Solvent Dependent Competitive Photoinduced Processes","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP03323C","","","1.54178","CuKα","","0.0918","0.0659","","","0.1767","0.1843","","","","","","1.07","","","","has coordinates","302922","2025-10-16","02:36:25",""
"7251027","9.0321","0.0009","5.9155","0.0006","13.5634","0.0014","90","","108.758","0.003","90","","686.19","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H2 F10 O S -","- C13 H2 F10 O S -","- C26 H4 F20 O2 S2 -","2","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.","RSC advances","2025","15","45","37824","37832","10.1039/d5ra06476g","","","0.71073","MoKα","","0.0608","0.0441","","","0.1047","0.1141","","","","","","1.012","","","","has coordinates","302925","2025-10-16","03:01:35",""
"7251028","7.8924","0.0007","12.8239","0.0011","14.3783","0.0012","90","","96.73","0.03","90","","1445.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H5 Cl2 F5 O S -","- C13 H5 Cl2 F5 O S -","- C52 H20 Cl8 F20 O4 S4 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.","RSC advances","2025","15","45","37824","37832","10.1039/d5ra06476g","","","0.71073","MoKα","","0.1099","0.0519","","","0.1124","0.1339","","","","","","1.017","","","","has coordinates","302925","2025-10-16","03:01:36",""
"7251029","7.3042","0.0005","7.6512","0.0005","12.3586","0.0008","96.168","0.001","96.341","0.001","95.461","0.001","678.46","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-bromophenyl 2-methoxybenzyl sulfoxide","","- C14 H13 Br O2 S -","- C14 H13 Br O2 S -","- C28 H26 Br2 O4 S2 -","2","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.","RSC advances","2025","15","45","37824","37832","10.1039/d5ra06476g","","","0.71073","MoKα","","0.0401","0.0332","","","0.0886","0.092","","","","","","1.069","","","","has coordinates","302925","2025-10-16","03:01:37",""
"7251030","8.5319","0.0003","5.3467","0.0002","25.5242","0.0008","90","","97.512","0.002","90","","1154.36","0.07","219","2","219","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H5 F5 O S2 -","- C11 H5 F5 O S2 -","- C44 H20 F20 O4 S8 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.","RSC advances","2025","15","45","37824","37832","10.1039/d5ra06476g","","","1.54178","CuKα","","0.0593","0.0434","","","0.1081","0.1186","","","","","","1.042","","","","has coordinates","302925","2025-10-16","03:01:37",""
"7251031","7.5989","0.0005","13.6591","0.0008","13.3151","0.0008","90","","100.127","0.001","90","","1360.5","0.15","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-bromophenyl 2-nitrobenzyl sulfoxide","","- C13 H10 Br N O3 S -","- C13 H10 Br N O3 S -","- C52 H40 Br4 N4 O12 S4 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.","RSC advances","2025","15","45","37824","37832","10.1039/d5ra06476g","","","0.71073","MoKα","","0.0619","0.0435","","","0.1114","0.1222","","","","","","1.016","","","","has coordinates","302925","2025-10-16","03:01:37",""
"7251032","26.479","0.003","5.1357","0.0004","9.4706","0.0008","90","","92.401","0.001","90","","1286.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H4 Cl F5 O S2 -","- C11 H4 Cl F5 O S2 -","- C44 H16 Cl4 F20 O4 S8 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.","RSC advances","2025","15","45","37824","37832","10.1039/d5ra06476g","","","0.71073","MoKα","","0.0888","0.0661","","","0.1601","0.1729","","","","","","1.055","","","","has coordinates","302925","2025-10-16","03:01:39",""
"7251033","5.4298","0.0005","9.9501","0.0008","11.8841","0.001","90","","97.249","0.001","90","","636.93","0.09","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H4 Cl F5 O S2 -","- C11 H4 Cl F5 O S2 -","- C22 H8 Cl2 F10 O2 S4 -","2","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.","RSC advances","2025","15","45","37824","37832","10.1039/d5ra06476g","","","0.71073","MoKα","","0.0456","0.0367","","","0.0826","0.087","","","","","","1.035","","","","has coordinates","302925","2025-10-16","03:01:49",""
"7251034","14.7677","0.0009","10.6376","0.0007","8.7815","0.0005","90","","104.795","0.001","90","","1333.77","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-bromophenyl 3-chlorobenzyl sulfoxide","","- C13 H10 Br Cl O S -","- C13 H10 Br Cl O S -","- C52 H40 Br4 Cl4 O4 S4 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.","RSC advances","2025","15","45","37824","37832","10.1039/d5ra06476g","","","0.71073","MoKα","","0.0609","0.0412","","","0.1076","0.1179","","","","","","1.02","","","","has coordinates","302925","2025-10-16","03:01:51",""
"7251035","5.5795","0.0003","15.8279","0.0007","15.0311","0.0006","90","","97.03","0.003","90","","1317.44","0.11","219","2","219","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Br N O3 S -","- C13 H10 Br N O3 S -","- C52 H40 Br4 N4 O12 S4 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.","RSC advances","2025","15","45","37824","37832","10.1039/d5ra06476g","","","1.54178","CuKα","","0.0634","0.0485","","","0.1202","0.1299","","","","","","1.07","","","","has coordinates","302925","2025-10-16","03:02:03",""
"7251036","12.966","0.003","5.3774","0.0011","9.6002","0.0019","90","","93.82","0.03","90","","667.9","0.2","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H2 F10 O S -","- C13 H2 F10 O S -","- C26 H4 F20 O2 S2 -","2","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.","RSC advances","2025","15","45","37824","37832","10.1039/d5ra06476g","","","0.71073","MoKα","","0.0399","0.0376","","","0.1048","0.1069","","","","","","1.078","","","","has coordinates","302925","2025-10-16","03:02:03",""
"7251037","8.0709","0.0002","8.4139","0.0002","9.3777","0.0003","99.9568","0.0012","101.678","0.0013","116.603","0.0012","531.76","0.03","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H10 N2 -","- C15 H10 N2 -","- C30 H20 N4 -","2","1","","Ozomarisi, Hamza Enesi; Outlaw, Victor K.","A rapid, metal-free synthesis of amino- and hydroxyphenanthrenes with tunable photophysical properties.","RSC advances","2025","15","45","38024","38028","10.1039/d5ra06485f","","","0.71073","MoKα","","0.0621","0.049","","","0.1223","0.1352","","","","","","1.053","","","","has coordinates","302926","2025-10-16","03:03:29",""
"7251038","4.52734","0.00004","25.31093","0.00017","12.21079","0.00008","90","","93.0826","0.0007","90","","1397.22","0.018","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","","Ozomarisi, Hamza Enesi; Outlaw, Victor K.","A rapid, metal-free synthesis of amino- and hydroxyphenanthrenes with tunable photophysical properties.","RSC advances","2025","15","45","38024","38028","10.1039/d5ra06485f","","","1.54178","CuKα","","0.0319","0.0309","","","0.0876","0.0883","","","","","","1.126","","","","has coordinates","302926","2025-10-16","03:03:32",""
"7251039","11.2016","0.0005","27.5447","0.0012","22.4151","0.0009","90","","98.98","0.001","90","","6831.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H69 Cu4 N11 O35 -","- C53 H61 Cu4 N11 O35 -","- C212 H244 Cu16 N44 O140 -","4","1","","Ajibade, Peter A.; Oloyede, Solomon O.","Ultrasensitive electrochemical detection of bisphenol A using copper(ii) metal–organic framework ternary quantum dot (Cu-MOF/TQD) composite-modified gold electrodes","RSC Advances","2025","15","45","38359","38377","10.1039/D5RA05819H","","","0.71073","MoKα","","0.105","0.0573","","","0.154","0.1861","","","","","","1.03","","","","has coordinates,has disorder","302927","2025-10-16","03:04:17",""
"7251040","5.5582","0.0004","16.5166","0.0012","14.6656","0.0011","90","","90.907","0.002","90","","1346.17","0.17","117","","117","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","RN_BP_SC186","","- C17 H12 Cl N O2 -","- C17 H12 Cl N O2 -","- C68 H48 Cl4 N4 O8 -","4","1","","Chakraborty, Sourav; Bhattachrjyya, Arghyadeep; Paul, Bhaswati; Das, Barnali; Natarajan, Ramalingam; Majumdar, Swapan","Metal-free access to 4-indolyl coumarin from coumarin 3-carboxylic acid and indole <i>via</i> a Michael addition-decarboxylation and dehydrogenation protocol: a photo-physical study and utility as an invisible ink.","RSC advances","2025","15","45","37888","37898","10.1039/d5ra05851a","","x-ray","1.54178","CuKα","","0.0384","0.0379","","","0.0971","0.0976","","","","","","1.102","","","","has coordinates","302928","2025-10-16","03:05:17",""
"7251041","14.6606","0.0014","7.2869","0.0007","16.3207","0.0016","90","","111.475","0.005","90","","1622.5","0.3","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","RN_BP_SC235","","- C18 H12 Cl N O4 -","- C18 H12 Cl N O4 -","- C72 H48 Cl4 N4 O16 -","4","2","","Chakraborty, Sourav; Bhattachrjyya, Arghyadeep; Paul, Bhaswati; Das, Barnali; Natarajan, Ramalingam; Majumdar, Swapan","Metal-free access to 4-indolyl coumarin from coumarin 3-carboxylic acid and indole <i>via</i> a Michael addition-decarboxylation and dehydrogenation protocol: a photo-physical study and utility as an invisible ink.","RSC advances","2025","15","45","37888","37898","10.1039/d5ra05851a","","x-ray","1.54178","CuKα","","0.0691","0.0625","","","0.1571","0.1607","","","","","","1.111","","","","has coordinates,has disorder","302928","2025-10-16","03:05:18",""
"7251042","14.9796","0.0012","14.9796","0.0012","25.7042","0.0017","90","","90","","120","","4995","0.7","293","2","293","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C26 H40 N0 O33 Sc6 -","- C26 H40 O33 Sc6 -","- C78 H120 O99 Sc18 -","3","0.25","","Zhang, Liying; Li, Yan; Fan, Meiqing; Gao, Lu; Fan, Yong; Wang, Li","Homochiral coordination polymer with a 1D helical chain based on self-assembly of an achiral Sc(iii) trimer","CrystEngComm","2025","27","46","7514","7519","10.1039/D5CE00794A","","","0.71073","MoKα","","0.0933","0.0665","","","0.206","0.2339","","","","","","1.129","","","","has coordinates","303700","2025-11-29","19:12:37",""
"7251043","15.5067","0.0004","16.2821","0.0005","15.4048","0.0004","90","","103.201","0.003","90","","3786.65","0.19","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Monoclinic","","- C47 H36 Cd N2 O6 -","- C47 H36 Cd N2 O6 -","- C188 H144 Cd4 N8 O24 -","4","1","","Hossain, Ersad; Sil, Sayantan; Malik, Srikanta; Goura, Joydeb; Chatterjee, Moumita; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata","Influence of cations on charge transport and Schottky properties in mesaconate-bridged isostructural 1D coordination polymers","CrystEngComm","2025","27","46","7531","7539","10.1039/D5CE00789E","","x-ray","0.71073","MoKα","","0.0496","0.0373","","","0.09","0.0959","","","","","","1.06","","","","has coordinates","303701","2025-11-29","19:12:46",""
"7251044","15.3041","0.0008","15.6105","0.0015","15.5655","0.0011","90","","103.72","0.006","90","","3612.6","0.5","182","110","182","110","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Monoclinic","","- C47 H38 N2 O6 Zn -","- C47 H38 N2 O6 Zn -","- C188 H152 N8 O24 Zn4 -","4","1","","Hossain, Ersad; Sil, Sayantan; Malik, Srikanta; Goura, Joydeb; Chatterjee, Moumita; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata","Influence of cations on charge transport and Schottky properties in mesaconate-bridged isostructural 1D coordination polymers","CrystEngComm","2025","27","46","7531","7539","10.1039/D5CE00789E","","x-ray","0.71073","MoKα","","0.1205","0.0869","","","0.2345","0.2628","","","","","","1.085","","","","has coordinates","303701","2025-11-29","19:12:47",""
"7251045","9.5583","0.0005","9.59","0.0005","17.1147","0.0005","78.722","0.003","79.352","0.003","69.659","0.005","1430.89","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","P 1","P 1","1","","","","- C60 H60 N14 O15 -","- C60 H60 N14 O15 -","- C60 H60 N14 O15 -","1","1","","Mudda, Ramesh Reddy; Devarapalli, Ramesh; Bollineni, Manjunath; Das, Arijit; Chennuru, Ramanaiah","Emphasis on pharmaceutically acceptable solvates: linking solubility with isostructurality for better drug design","CrystEngComm","2025","27","46","7562","7574","10.1039/D5CE00633C","","x-ray","1.54184","CuKα","","0.0506","0.0494","","","0.1263","0.1289","","","","","","1.052","","","","has coordinates,has disorder","303699","2025-11-29","19:12:25",""
"7251046","9.49588","0.00014","9.79722","0.00017","17.0733","0.0002","78.0108","0.0013","81.7049","0.0012","70.9622","0.0014","1463.72","0.04","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","Acalabrutinib maleate","","- C62 H62 N14 O14 -","- C62 H62 N14 O14 -","- C62 H62 N14 O14 -","1","1","","Mudda, Ramesh Reddy; Devarapalli, Ramesh; Bollineni, Manjunath; Das, Arijit; Chennuru, Ramanaiah","Emphasis on pharmaceutically acceptable solvates: linking solubility with isostructurality for better drug design","CrystEngComm","2025","27","46","7562","7574","10.1039/D5CE00633C","","x-ray","1.54184","CuKα","","0.0437","0.0429","","","0.1139","0.1151","","","","","","1.053","","","","has coordinates","303699","2025-11-29","19:12:26",""
"7251047","5.6929","0.0001","17.0162","0.0002","13.4451","0.0002","90","","96.135","0.001","90","","1294.99","0.03","100","0.11","100","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","artesunate 4-aminobenzoic acid","","","- C26 H35 N O10 -","- C26 H35 N O10 -","- C52 H70 N2 O20 -","2","1","","Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong","Novel multicomponent crystal forms of artesunate","CrystEngComm","2025","27","44","7146","7169","10.1039/D5CE00279F","","x-ray","1.54184","CuKα","","0.0352","0.0339","","","0.0836","0.0847","","","","","","1.033","","","","has coordinates,has disorder","303673","2025-11-29","19:02:32",""
"7251048","10.5562","0.0003","7.3837","0.0002","15.7892","0.0005","90","","98.315","0.003","90","","1217.73","0.06","99.99","0.11","99.99","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","artesunate urea acetonitrile solvate","","","- C22 H35 N3 O9 -","- C22 H35 N3 O9 -","- C44 H70 N6 O18 -","2","1","","Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong","Novel multicomponent crystal forms of artesunate","CrystEngComm","2025","27","44","7146","7169","10.1039/D5CE00279F","","x-ray","1.54184","CuKα","","0.0726","0.0659","","","0.1891","0.1972","","","","","","1.1","","","","has coordinates","303673","2025-11-29","19:02:33",""
"7251049","10.3355","0.0002","10.1548","0.0002","21.6741","0.0003","90","","102.644","0.002","90","","2219.64","0.07","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H68 N2 O16 -","- C44 H68 N2 O16 -","- C88 H136 N4 O32 -","2","1","","Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong","Novel multicomponent crystal forms of artesunate","CrystEngComm","2025","27","44","7146","7169","10.1039/D5CE00279F","","x-ray","1.54184","CuKα","","0.0413","0.0377","","","0.0958","0.098","","","","","","1.06","","","","has coordinates","303673","2025-11-29","19:02:33",""
"7251050","11.0046","0.0011","8.5912","0.0008","23.6155","0.0018","90","","98.743","0.009","90","","2206.7","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H68 N2 O16 -","- C44 H68 N2 O16 -","- C88 H136 N4 O32 -","2","1","","Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong","Novel multicomponent crystal forms of artesunate","CrystEngComm","2025","27","44","7146","7169","10.1039/D5CE00279F","","x-ray","1.54184","CuKα","","0.1015","0.08","","","0.2265","0.2489","","","","","","1.074","","","","has coordinates","303673","2025-11-29","19:02:33",""
"7251051","9.57054","0.00018","51.5305","0.0006","9.8305","0.0002","90","","118.766","0.003","90","","4249.85","0.18","99.98","0.11","99.98","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","artesunate 1,10-phenanthroline","","","- C31 H36 N2 O8 -","- C31 H36 N2 O8 -","- C186 H216 N12 O48 -","6","3","","Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong","Novel multicomponent crystal forms of artesunate","CrystEngComm","2025","27","44","7146","7169","10.1039/D5CE00279F","","x-ray","1.54184","CuKα","","0.048","0.0461","","","0.1203","0.122","","","","","","1.052","","","","has coordinates","303673","2025-11-29","19:02:33",""
"7251052","10.3625","0.0005","7.3357","0.0003","15.0315","0.0006","90","","93.125","0.004","90","","1140.94","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","artesunate urea cocrystal methanol solvate","","","- C21 H36 N2 O10 -","- C21 H36 N2 O10 -","- C42 H72 N4 O20 -","2","1","","Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong","Novel multicomponent crystal forms of artesunate","CrystEngComm","2025","27","44","7146","7169","10.1039/D5CE00279F","","x-ray","1.54184","CuKα","","0.0487","0.0466","","","0.1239","0.1258","","","","","","1.056","","","","has coordinates","303673","2025-11-29","19:02:33",""
"7251053","37.035","0.003","9.0602","0.0006","15.608","0.0011","90","","94.353","0.003","90","","5222.1","0.7","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H29 Cl F I N3 O2 -","- C26 H29 Cl F I N3 O2 -","- C208 H232 Cl8 F8 I8 N24 O16 -","8","1","","Jin, Chengliu; Zhang, Zhen; Liao, Peng; Zhang, Chen; Cao, Hua; Ma, Yanlong","Design, synthesis and structure-activity relationship analysis of the dibenzodiazepinone derivatives against osimertinib resistant NSCLC","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00759C","","","0.71073","MoKα","","0.0782","0.0526","","","0.1133","0.1267","","","","","","1.086","","","","has coordinates,has disorder","302944","2025-10-17","00:25:54",""
"7251054","11.8305","0.0003","17.7949","0.0004","12.865","0.0004","90","","103.504","0.003","90","","2633.5","0.13","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1","","- C30 H22 Br2 O4 S -","- C30 H22 Br2 O4 S -","- C120 H88 Br8 O16 S4 -","4","1","","Chen, Dongdong; Wang, Yan; Wu, Yujun; Yu, Qiaoqiao; Wang, Yunhan; Zheng, Junyao; Ying, Zhong; Hou, Changhui","Design, synthesis and acaricidal activity of tetrahydrothiophene derivatives against Psoroptes cuniculi","RSC Advances","2025","15","46","39028","39036","10.1039/D5RA05421D","","x-ray","0.71073","MoKα","","0.0846","0.047","","","0.0894","0.1037","","","","","","1.011","","","","has coordinates","302948","2025-10-17","01:44:02",""
"7251055","7.4995","0.0005","13.933","0.002","14.2792","0.001","90","","90","","90","","1492","0.3","293","2","293","2","","","","","","","Garcinia nervosa","3","P 21 21 21","P 2ac 2ab","19","chromen-6(2H)-one","3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]iso chromen-6(2H)-one","","- C14 H18 O10 -","- C14 H18 O10 -","- C56 H72 O40 -","4","1","","Uzma,; Parveen, Mehtab; Fatima, Sabiha; Kumar, Avadhesh; Azeem, Mohammad; Siddiqui, Masooma; Alam, Mahboob","Isolation and comprehensive characterization of a bioactive compound from Garcinia nervosa: single-crystal X-ray diffraction, antioxidant, protein-binding, and chemosensing studies","RSC Advances","2025","15","46","38916","38932","10.1039/D5RA04922A","","","0.71073","MoKα","","0.0492","0.0372","","","0.0801","0.0881","","","","","","1.048","","","","has coordinates","302949","2025-10-17","01:44:18",""
"7251056","14.5096","0.0009","17.8805","0.0011","10.3906","0.0006","90","","110.379","0.002","90","","2527","0.3","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","2","","Constantin, Ana Maria; Mele, Francesco; Botla, Vinayak; Della Ca', Nicola; Maggi, Raimondo; Maestri, Giovanni; Cerveri, Alessandro; Sundermann, Remie Matthieu; Cauzzi, Daniele; Pancrazzi, francesco; Mazzeo, Paolo Pio","A deep dive into mechanochemical organic reactions by accurate crystallographic analysis via TAAM refinement","CrystEngComm","2025","","","","","10.1039/D5CE00677E","","","0.71073","MoKα","","0.0559","0.0438","","","0.0885","0.0934","","","","","","1.142","","","","has coordinates","302954","2025-10-17","22:59:10",""
"7251057","11.954","0.002","7.454","0.002","15.468","0.003","90","","95.33","0.03","90","","1372.3","0.5","294","2","294.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Constantin, Ana Maria; Mele, Francesco; Botla, Vinayak; Della Ca', Nicola; Maggi, Raimondo; Maestri, Giovanni; Cerveri, Alessandro; Sundermann, Remie Matthieu; Cauzzi, Daniele; Pancrazzi, francesco; Mazzeo, Paolo Pio","A deep dive into mechanochemical organic reactions by accurate crystallographic analysis via TAAM refinement","CrystEngComm","2025","","","","","10.1039/D5CE00677E","","","0.71073","MoKα","","0.0429","0.039","","","0.1115","0.1168","","","","","","1.058","","","","has coordinates,has disorder","302954","2025-10-17","22:59:12",""
"7251058","14.2535","0.0003","6.5278","0.0002","18.3623","0.0004","90","","102.641","0.002","90","","1667.09","0.07","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N3 O S -","- C18 H23 N3 O S -","- C72 H92 N12 O4 S4 -","4","1","","Al-Wahaibi, Lamya H.; Blacque, Olivier; Al-Mutairi, Aamal A; El-Emam, Ali A.; Gomila, Rosa Maria; Frontera, Antonio; Tiekink, Edward R. T.","Beyond hydrogen bonds: unveiling the structure-directing role of side-on X···π interactions in adamantane-thiourea crystals","CrystEngComm","2025","","","","","10.1039/D5CE00817D","","","1.54184","CuKα","","0.0377","0.0353","","","0.0954","0.0973","","","","","","1.057","","","","has coordinates","302955","2025-10-17","22:59:51",""
"7251059","6.3669","0.0001","11.814","0.0001","11.8768","0.0001","78.145","0.001","84.27","0.001","79.081","0.001","856.745","0.017","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 F2 N3 S -","- C18 H21 F2 N3 S -","- C36 H42 F4 N6 S2 -","2","1","","Al-Wahaibi, Lamya H.; Blacque, Olivier; Al-Mutairi, Aamal A; El-Emam, Ali A.; Gomila, Rosa Maria; Frontera, Antonio; Tiekink, Edward R. T.","Beyond hydrogen bonds: unveiling the structure-directing role of side-on X···π interactions in adamantane-thiourea crystals","CrystEngComm","2025","","","","","10.1039/D5CE00817D","","","1.54184","CuKα","","0.0304","0.0299","","","0.0821","0.0824","","","","","","1.065","","","","has coordinates","302955","2025-10-17","22:59:52",""
"7251060","7.2877","0.0001","11.4798","0.0002","11.5478","0.0001","71.734","0.001","79.215","0.001","83.192","0.001","899.36","0.02","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 Cl2 N3 S -","- C18 H21 Cl2 N3 S -","- C36 H42 Cl4 N6 S2 -","2","1","","Al-Wahaibi, Lamya H.; Blacque, Olivier; Al-Mutairi, Aamal A; El-Emam, Ali A.; Gomila, Rosa Maria; Frontera, Antonio; Tiekink, Edward R. T.","Beyond hydrogen bonds: unveiling the structure-directing role of side-on X···π interactions in adamantane-thiourea crystals","CrystEngComm","2025","","","","","10.1039/D5CE00817D","","","1.54184","CuKα","","0.0296","0.0269","","","0.0659","0.0678","","","","","","1.037","","","","has coordinates","302955","2025-10-17","22:59:53",""
"7251061","6.3418","0.0001","11.5247","0.0003","12.209","0.0002","96.592","0.002","97.243","0.002","104.197","0.002","848.26","0.03","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 N4 O2 S -","- C18 H22 N4 O2 S -","- C36 H44 N8 O4 S2 -","2","1","","Al-Wahaibi, Lamya H.; Blacque, Olivier; Al-Mutairi, Aamal A; El-Emam, Ali A.; Gomila, Rosa Maria; Frontera, Antonio; Tiekink, Edward R. T.","Beyond hydrogen bonds: unveiling the structure-directing role of side-on X···π interactions in adamantane-thiourea crystals","CrystEngComm","2025","","","","","10.1039/D5CE00817D","","","1.54184","CuKα","","0.0394","0.0359","","","0.0984","0.1009","","","","","","1.057","","","","has coordinates","302955","2025-10-17","22:59:53",""
"7251062","6.6087","0.0012","21.264","0.004","9.0465","0.0017","90","","106.598","0.019","90","","1218.3","0.4","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Br N O3 S -","- C11 H10 Br N O3 S -","- C44 H40 Br4 N4 O12 S4 -","4","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.1047","0.0541","","","0.1094","0.1321","","","","","","1.021","","","","has coordinates","304093","2025-12-06","22:37:06",""
"7251063","6.5344","0.001","9.1056","0.0014","11.7424","0.0019","100.892","0.013","91.458","0.013","105.79","0.014","658.01","0.19","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl N O3 S -","- C12 H12 Cl N O3 S -","- C24 H24 Cl2 N2 O6 S2 -","2","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.1263","0.078","","","0.1967","0.2333","","","","","","1.018","","","","has coordinates","304093","2025-12-06","22:37:07",""
"7251064","6.5431","0.0008","20.755","0.003","9.1169","0.0012","90","","106.423","0.014","90","","1187.6","0.3","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Cl N O3 S -","- C11 H10 Cl N O3 S -","- C44 H40 Cl4 N4 O12 S4 -","4","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.1025","0.0518","","","0.1108","0.144","","","","","","1.027","","","","has coordinates","304093","2025-12-06","22:37:07",""
"7251065","16.043","0.0006","37.2257","0.0016","6.8695","0.0002","90","","90","","90","","4102.5","0.3","295","","294.99","0.13","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C66 H54 Br6 I6 N6 O18 S6 -","- C66 H54 Br6 I6 N6 O18 S6 -","- C132 H108 Br12 I12 N12 O36 S12 -","2","0.25","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.0967","0.0729","","","0.1259","0.1327","","","","","","1.272","","","","has coordinates,has disorder","304093","2025-12-06","22:37:07",""
"7251066","7.3872","0.0015","24.047","0.002","8.6774","0.0015","90","","113.73","0.02","90","","1411.1","0.4","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 I N O3 S -","- C12 H12 I N O3 S -","- C48 H48 I4 N4 O12 S4 -","4","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.1236","0.0585","","","0.1271","0.1759","","","","","","1.038","","","","has coordinates","304093","2025-12-06","22:37:07",""
"7251067","12.5118","0.0007","9.3438","0.0008","21.996","0.002","90","","90","","90","","2571.5","0.4","295","","295","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H10 I N O3 S -","- C11 H10 I N O3 S -","- C88 H80 I8 N8 O24 S8 -","8","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.0695","0.0436","","","0.0975","0.1166","","","","","","1.084","","","","has coordinates","304093","2025-12-06","22:37:07",""
"7251068","7.6818","0.0006","19.4505","0.0013","9.7988","0.0005","90","","111.819","0.007","90","","1359.2","0.17","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 I N O3 S -","- C12 H12 I N O3 S -","- C48 H48 I4 N4 O12 S4 -","4","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.0547","0.0397","","","0.083","0.0924","","","","","","1.085","","","","has coordinates","304093","2025-12-06","22:37:07",""
"7251069","13.6268","0.0011","6.7637","0.0005","15.8045","0.0015","90","","98.434","0.009","90","","1440.9","0.2","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br I N O3 S -","- C12 H11 Br I N O3 S -","- C48 H44 Br4 I4 N4 O12 S4 -","4","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.0763","0.0691","","","0.186","0.1965","","","","","","1.061","","","","has coordinates","304093","2025-12-06","22:37:07",""
"7251070","7.518","0.001","19.441","0.003","9.745","0.0012","90","","111.921","0.014","90","","1321.3","0.3","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Br N O3 S -","- C12 H12 Br N O3 S -","- C48 H48 Br4 N4 O12 S4 -","4","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.1162","0.048","","","0.0827","0.1065","","","","","","0.994","","","","has coordinates","304093","2025-12-06","22:37:07",""
"7251071","12.925","0.0007","9.7288","0.0011","21.2989","0.0018","90","","90","","90","","2678.2","0.4","295","","295","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H10 I N O3 S -","- C11 H10 I N O3 S -","- C88 H80 I8 N8 O24 S8 -","8","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.0912","0.048","","","0.113","0.1417","","","","","","1.053","","","","has coordinates","304093","2025-12-06","22:37:07",""
"7251072","10.3644","0.0015","15.773","0.002","13.564","0.002","90","","104.357","0.005","90","","2148.2","0.5","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 Cd N2 O8 -","- C26 H15 Cd N2 O8 -","- C104 H60 Cd4 N8 O32 -","4","1","","Meng, Xin; Shen, Yuan; Hua, Yang; Bai, Yun-Ying; Yang, Yu-Fan; Zhang, Hong","Two Cd(ii)–viologen coordination polymers with wave-like layered structures used as multi-stimulus-responsive materials","CrystEngComm","2025","27","44","7128","7134","10.1039/D5CE00661A","","","0.71073","MoKα","","0.1118","0.0757","","","0.1835","0.2101","","","","","","1.07","","","","has coordinates","303674","2025-11-29","19:02:58",""
"7251073","21.6271","0.0004","10.1463","0.0001","21.9122","0.0004","90","","107.862","0.002","90","","4576.53","0.14","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Cd2 N4 O16 -","- C52 H44 Cd2 N4 O16 -","- C208 H176 Cd8 N16 O64 -","4","1","","Meng, Xin; Shen, Yuan; Hua, Yang; Bai, Yun-Ying; Yang, Yu-Fan; Zhang, Hong","Two Cd(ii)–viologen coordination polymers with wave-like layered structures used as multi-stimulus-responsive materials","CrystEngComm","2025","27","44","7128","7134","10.1039/D5CE00661A","","x-ray","0.71073","MoKα","","0.0562","0.044","","","0.1099","0.1153","","","","","","1.092","","","","has coordinates","303674","2025-11-29","19:02:59",""
"7251074","6.869","0.0006","8.1816","0.0007","14.4226","0.0013","90","","95.38","0.003","90","","806.97","0.12","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N6 O -","- C6 H10 N6 O -","- C24 H40 N24 O4 -","4","1","","Guo, Benyue; Hu, Lu; Pang, Siping","A methyl-driven strategy enhances sensitivity through the modulation of aromaticity","CrystEngComm","2025","27","45","7328","7332","10.1039/D5CE00871A","","","0.71073","MoKα","","0.108","0.0712","","","0.189","0.2602","","","","","","1.136","","","","has coordinates","303708","2025-11-29","19:16:46",""
"7251075","13.8934","0.0019","11.8961","0.0015","8.5408","0.0014","90","","121.962","0.005","90","","1197.6","0.3","170","","170","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H12 N8 O7 -","- C6 H12 N8 O7 -","- C24 H48 N32 O28 -","4","1","","Guo, Benyue; Hu, Lu; Pang, Siping","A methyl-driven strategy enhances sensitivity through the modulation of aromaticity","CrystEngComm","2025","27","45","7328","7332","10.1039/D5CE00871A","","","0.71073","MoKα","","0.0708","0.0508","","","0.1021","0.1169","","","","","","1.039","","","","has coordinates","303708","2025-11-29","19:16:56",""
"7251076","8.4782","0.0012","14.2395","0.0019","6.3998","0.001","90","","97.711","0.005","90","","765.63","0.19","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N2 O5 -","- C6 H8 N2 O5 -","- C24 H32 N8 O20 -","4","1","","Guo, Benyue; Hu, Lu; Pang, Siping","A methyl-driven strategy enhances sensitivity through the modulation of aromaticity","CrystEngComm","2025","27","45","7328","7332","10.1039/D5CE00871A","","","0.71073","MoKα","","0.1573","0.0815","","","0.1895","0.2216","","","","","","1.116","","","","has coordinates","303708","2025-11-29","19:16:57",""
"7251077","7.699","0.003","12.322","0.004","14.09","0.008","90","","90","","90","","1336.7","1","100","","100","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C6 H5 N3 O2 -","- C6 H5 N3 O2 -","- C48 H40 N24 O16 -","8","1","","Guo, Benyue; Hu, Lu; Pang, Siping","A methyl-driven strategy enhances sensitivity through the modulation of aromaticity","CrystEngComm","2025","27","45","7328","7332","10.1039/D5CE00871A","","","0.71073","MoKα","","0.0961","0.0589","","","0.1291","0.1501","","","","","","1.05","","","","has coordinates","303708","2025-11-29","19:16:57",""
"7251078","14.1206","0.0006","19.4498","0.0008","8.7731","0.0003","90","","106.183","0.002","90","","2314","0.16","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H11 N9 O5 -","- C6 H11 N9 O5 -","- C48 H88 N72 O40 -","8","1","","Guo, Benyue; Hu, Lu; Pang, Siping","A methyl-driven strategy enhances sensitivity through the modulation of aromaticity","CrystEngComm","2025","27","45","7328","7332","10.1039/D5CE00871A","","","0.71073","MoKα","","0.0874","0.0519","","","0.1171","0.1378","","","","","","1.029","","","","has coordinates","303708","2025-11-29","19:16:57",""
"7251079","12.646","0.008","13.107","0.008","15.668","0.009","89.95","0.02","79.6","0.02","87.27","0.03","2551","3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H13 N9 O7 -","- C6 H13 N9 O7 -","- C48 H104 N72 O56 -","8","4","","Guo, Benyue; Hu, Lu; Pang, Siping","A methyl-driven strategy enhances sensitivity through the modulation of aromaticity","CrystEngComm","2025","27","45","7328","7332","10.1039/D5CE00871A","","","0.71073","MoKα","","0.1657","0.0948","","","0.2476","0.2906","","","","","","1.043","","","","has coordinates","303708","2025-11-29","19:16:58",""
"7251080","6.4378","0.0002","7.2041","0.0002","19.8873","0.0008","94.374","0.003","90.518","0.003","94.324","0.002","916.94","0.05","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H3 F5 S -","- C10 H3 F5 S -","- C40 H12 F20 S4 -","4","2","","Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo","Systematic Investigation of the Effect of Trialkylsilyl Groups on the Crystal Structures of Perfluorophenyl-Substituted Thiophene","CrystEngComm","2025","","","","","10.1039/D5CE00898K","","x-ray","1.54184","CuKα","","0.1179","0.1108","","","0.3371","0.3419","","","","","","1.154","","","","has coordinates","302995","2025-10-24","08:46:53",""
"7251081","8.5617","0.0003","19.8126","0.0006","11.6723","0.0004","90","","94.529","0.003","90","","1973.78","0.11","153","","153","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 F5 S Si -","- C19 H23 F5 S Si -","- C76 H92 F20 S4 Si4 -","4","1","","Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo","Systematic Investigation of the Effect of Trialkylsilyl Groups on the Crystal Structures of Perfluorophenyl-Substituted Thiophene","CrystEngComm","2025","","","","","10.1039/D5CE00898K","","x-ray","1.54184","CuKα","","0.0761","0.0723","","","0.2104","0.2166","","","","","","1.092","","","","has coordinates","302995","2025-10-24","08:47:02",""
"7251082","30.7633","0.0003","6.8541","0.0001","13.4097","0.0002","90","","90","","90","","2827.5","0.07","153","","153","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H11 F5 S Si -","- C13 H11 F5 S Si -","- C104 H88 F40 S8 Si8 -","8","2","","Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo","Systematic Investigation of the Effect of Trialkylsilyl Groups on the Crystal Structures of Perfluorophenyl-Substituted Thiophene","CrystEngComm","2025","","","","","10.1039/D5CE00898K","","x-ray","1.54184","CuKα","","0.0358","0.0344","","","0.0913","0.0924","","","","","","1.081","","","","has coordinates","302995","2025-10-24","08:47:06",""
"7251083","7.453","0.0003","7.5747","0.0002","17.1723","0.0005","85.62","0.002","80.227","0.003","61.642","0.004","840.72","0.06","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 F5 S Si -","- C16 H17 F5 S Si -","- C32 H34 F10 S2 Si2 -","2","1","","Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo","Systematic Investigation of the Effect of Trialkylsilyl Groups on the Crystal Structures of Perfluorophenyl-Substituted Thiophene","CrystEngComm","2025","","","","","10.1039/D5CE00898K","","x-ray","1.54184","CuKα","","0.0442","0.0391","","","0.1131","0.1165","","","","","","1.126","","","","has coordinates","302995","2025-10-24","08:47:09",""
"7251084","7.0914","0.0005","5.7846","0.0004","12.48","0.0009","90","","105.231","0.007","90","","493.96","0.06","150","0.2","150","","","","","","","","","4","P 1 21 1","P 2yb","4","Metformin Dihydrochloride","Metformin Dihydrochloride","","- C4 H13 Cl2 N5 -","- C4 H13 Cl2 N5 -","- C8 H26 Cl4 N10 -","2","1","","Hitchings, Thomas; Students, School Project; Shepherd, Angela; Alfredsson, Maria; Saines, Paul James","Analysis of a New Hydrochloride Salt of the Common Pharmaceutical Metformin","CrystEngComm","2025","","","","","10.1039/D5CE00711A","","x-ray","0.71073","MoKα","","0.0381","0.0341","","","0.0761","0.0782","","","","","","1.037","","","","has coordinates","302996","2025-10-24","08:47:59",""
"7251085","12.0055","0.0001","25.3262","0.0003","24.2636","0.0005","90","","94.6459","0.0015","90","","7353.2","0.19","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H104 N24 O48 P16 Pt12 -","- C96 H104 N24 O48 P16 Pt12 -","- C192 H208 N48 O96 P32 Pt24 -","2","0.5","","Uemura, Kazuhiro; Kanamori, Shota","Electrostatically assembled one-dimensional platinum chains with red-shifted MMLCT transitions","CrystEngComm","2025","27","47","7633","7637","10.1039/D5CE00818B","","","0.71073","MoKα","","0.0414","0.0309","","","0.0797","0.0883","","","","","","1.088","","","","has coordinates,has disorder","304098","2025-12-06","22:39:42",""
"7251086","13.0195","0.0003","18.9029","0.0005","15.0103","0.0003","90","","90.943","0.002","90","","3693.63","0.15","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N6 O12 P4 Pt3 -","- C24 H28 N6 O12 P4 Pt3 -","- C96 H112 N24 O48 P16 Pt12 -","4","1","","Uemura, Kazuhiro; Kanamori, Shota","Electrostatically assembled one-dimensional platinum chains with red-shifted MMLCT transitions","CrystEngComm","2025","27","47","7633","7637","10.1039/D5CE00818B","","","0.71073","MoKα","","0.0567","0.036","","","0.0648","0.0707","","","","","","1.062","","","","has coordinates","304098","2025-12-06","22:39:43",""
"7251087","33.386","0.007","11.052","0.002","14.922","0.003","90","","100.97","0.03","90","","5405.3","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 N5 O4.5 -","- C29 H24 N5 O4.5 -","- C232 H192 N40 O36 -","8","1","","Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.","Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures","CrystEngComm","2025","27","44","7135","7145","10.1039/D5CE00470E","","","0.71073","Synchrotron","","0.093","0.066","","","0.1866","0.2097","","","","","","1.032","","","","has coordinates","303675","2025-11-29","19:03:31",""
"7251088","32.051","0.005","32.051","0.005","28.537","0.006","90","","90","","90","","29315","9","100","2","100","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C27 H14 Cu1.5 N4 O5.5 -","- C27 H14 Cu1.5 N4 O5.5 -","- C432 H224 Cu24 N64 O88 -","16","1","","Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.","Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures","CrystEngComm","2025","27","44","7135","7145","10.1039/D5CE00470E","","","0.71073","MoKα","","0.0614","0.0473","","","0.1661","0.187","","","","","","0.99","","","","has coordinates","303675","2025-11-29","19:03:32",""
"7251089","19.8544","0.0003","18.8871","0.0002","20.3096","0.0003","90","","111.172","0.002","90","","7101.87","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 Mg2 N10 O15 -","- C62 H48 Mg2 N10 O15 -","- C248 H192 Mg8 N40 O60 -","4","1","","Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.","Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures","CrystEngComm","2025","27","44","7135","7145","10.1039/D5CE00470E","","","1.54184","CuKα","","0.0948","0.0884","","","0.2513","0.2573","","","","","","1.066","","","","has coordinates","303675","2025-11-29","19:03:32",""
"7251090","42.346","0.006","42.346","0.006","33.254","0.007","90","","90","","90","","59631","17","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C162 H84 Gd4 N24 O25 -","- C162 H84 Gd4 N24 O25 -","- C1296 H672 Gd32 N192 O200 -","8","1","","Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.","Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures","CrystEngComm","2025","27","44","7135","7145","10.1039/D5CE00470E","","","0.71073","Synchrotron","","0.1204","0.0906","","","0.2147","0.2373","","","","","","1.033","","","","has coordinates","303675","2025-11-29","19:03:32",""
"7251091","33.9994","0.0007","33.9994","0.0007","21.8483","0.0011","90","","90","","90","","25255.7","1.5","100","2","100","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C27 H14.62 Cu1.5 N4 O5.5 -","- C27 H14 Cu1.5 N4 O5.5 -","- C432 H224 Cu24 N64 O88 -","16","1","","Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.","Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures","CrystEngComm","2025","27","44","7135","7145","10.1039/D5CE00470E","","","1.54184","CuKα","","0.2255","0.092","","","0.2809","0.3772","","","","","","0.923","","","","has coordinates","303675","2025-11-29","19:03:32",""
"7251092","18.9715","0.0003","18.9715","0.0003","24.607","0.0005","90","","90","","120","","7670","0.2","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C54 H28 Ca2 N8 O10 -","- C54 H28 Ca2 N8 O10 -","- C162 H84 Ca6 N24 O30 -","3","1","","Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.","Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures","CrystEngComm","2025","27","44","7135","7145","10.1039/D5CE00470E","","","1.54178","CuKα","","0.0979","0.096","","","0.2502","0.2549","","","","","","1.011","","","","has coordinates","303675","2025-11-29","19:03:32",""
"7251093","13.651","0.002","14.252","0.003","15.902","0.003","88.819","0.009","81.557","0.008","74.642","0.008","2950.4","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H84 N4 O17 -","- C64 H84 N4 O17 -","- C128 H168 N8 O34 -","2","1","","Kawahata, Masatoshi; Makino, Hayahide; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Tetrameric H-shaped assemblies as a motif in inclusion crystals of bent-shaped host molecules having nitrophenol moieties","CrystEngComm","2025","27","47","7655","7661","10.1039/D5CE00655D","","","1.54178","CuKα","","0.0946","0.0735","","","0.1864","0.1989","","","","","","1.1","","","","has coordinates,has disorder","304100","2025-12-06","22:42:05",""
"7251094","7.0389","0.0014","10.51","0.002","15.782","0.003","91.671","0.004","90.864","0.004","100.318","0.004","1147.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O8 -","- C26 H28 N2 O8 -","- C52 H56 N4 O16 -","2","1","","Kawahata, Masatoshi; Makino, Hayahide; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Tetrameric H-shaped assemblies as a motif in inclusion crystals of bent-shaped host molecules having nitrophenol moieties","CrystEngComm","2025","27","47","7655","7661","10.1039/D5CE00655D","","","1.54178","CuKα","","0.0428","0.0426","","","0.1118","0.112","","","","","","1.088","","","","has coordinates","304100","2025-12-06","22:42:07",""
"7251095","22.1125","0.0019","6.6904","0.0006","16.0518","0.0014","90","","90","","90","","2374.7","0.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C26 H30 N2 O8 -","- C26 H30 N2 O8 -","- C104 H120 N8 O32 -","4","0.5","","Kawahata, Masatoshi; Makino, Hayahide; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Tetrameric H-shaped assemblies as a motif in inclusion crystals of bent-shaped host molecules having nitrophenol moieties","CrystEngComm","2025","27","47","7655","7661","10.1039/D5CE00655D","","","1.54178","CuKα","","0.07","0.0689","","","0.1876","0.1884","","","","","","1.149","","","","has coordinates","304100","2025-12-06","22:42:17",""
"7251096","13.123","0.003","11.645","0.002","12.458","0.002","90","","106.293","0.002","90","","1827.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br2 O2 -","- C22 H22 Br2 O2 -","- C88 H88 Br8 O8 -","4","1","","Kawahata, Masatoshi; Makino, Hayahide; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Tetrameric H-shaped assemblies as a motif in inclusion crystals of bent-shaped host molecules having nitrophenol moieties","CrystEngComm","2025","27","47","7655","7661","10.1039/D5CE00655D","","","0.71073","MoKα","","0.0188","0.0173","","","0.0425","0.043","","","","","","1.058","","","","has coordinates","304100","2025-12-06","22:42:17",""
"7251097","6.8713","0.0004","12.7549","0.0006","14.2974","0.0007","90","","97.542","0.005","90","","1242.22","0.11","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 F5 N O S -","- C13 H6 F5 N O S -","- C52 H24 F20 N4 O4 S4 -","4","1","","Toshima, Ryo; Eguchi, Yuto; Oshima, Ibuki; Yoshino, Riku; Tamano, Natsuki; Fukumoto, Hiroki; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki; Morita, Masato","Co-crystallization of benzothiazole via halogen and hydrogen bonding: crystal structure and photoluminescence properties","CrystEngComm","2025","27","47","7649","7654","10.1039/D5CE00645G","","x-ray","0.71073","MoKα","","0.0586","0.0474","","","0.147","0.1533","","","","","","1.147","","","","has coordinates","304094","2025-12-06","22:37:36",""
"7251098","12.7322","0.0006","12.9715","0.0005","8.4476","0.0004","90","","101.938","0.005","90","","1364.99","0.11","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H6 F5 N O2 S -","- C14 H6 F5 N O2 S -","- C56 H24 F20 N4 O8 S4 -","4","1","","Toshima, Ryo; Eguchi, Yuto; Oshima, Ibuki; Yoshino, Riku; Tamano, Natsuki; Fukumoto, Hiroki; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki; Morita, Masato","Co-crystallization of benzothiazole via halogen and hydrogen bonding: crystal structure and photoluminescence properties","CrystEngComm","2025","27","47","7649","7654","10.1039/D5CE00645G","","x-ray","0.71073","MoKα","","0.0315","0.0292","","","0.0816","0.0834","","","","","","1.045","","","","has coordinates","304094","2025-12-06","22:37:37",""
"7251099","10.4312","0.0005","4.2982","0.0002","23.6454","0.001","90","","97.6","0.004","90","","1050.84","0.08","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 F4 I2 N2 S2 -","- C20 H10 F4 I2 N2 S2 -","- C40 H20 F8 I4 N4 S4 -","2","0.5","","Toshima, Ryo; Eguchi, Yuto; Oshima, Ibuki; Yoshino, Riku; Tamano, Natsuki; Fukumoto, Hiroki; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki; Morita, Masato","Co-crystallization of benzothiazole via halogen and hydrogen bonding: crystal structure and photoluminescence properties","CrystEngComm","2025","27","47","7649","7654","10.1039/D5CE00645G","","x-ray","0.71073","MoKα","","0.0247","0.0217","","","0.0556","0.0571","","","","","","1.095","","","","has coordinates","304094","2025-12-06","22:37:37",""
"7251100","10.29396","0.00007","23.41077","0.00018","11.59685","0.00008","90","","91.6145","0.0006","90","","2793.61","0.03","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H19 Cl3 N4 S2 -","- C32 H19 Cl3 N4 S2 -","- C128 H76 Cl12 N16 S8 -","4","1","","Ogawa, Kota; Sumida, Ayaka; Kubota, Rikuto; Tachikawa, Takashi; Ito, Suguru","Reprecipitation-driven access to solvates and solvent-free crystals: achieving two-solvent-mediated vapochromic luminescence","CrystEngComm","2025","27","46","7484","7490","10.1039/D5CE00946D","","","1.54184","CuKα","","0.037","0.035","","","0.0912","0.0927","","","","","","1.037","","","","has coordinates","303696","2025-11-29","19:11:25",""
"7251101","11.7158","0.0001","5.8667","0.0001","17.82","0.0002","90","","106.345","0.001","90","","1175.32","0.03","123","2","123.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H18 N4 S2 -","- C31 H18 N4 S2 -","- C62 H36 N8 S4 -","2","1","","Ogawa, Kota; Sumida, Ayaka; Kubota, Rikuto; Tachikawa, Takashi; Ito, Suguru","Reprecipitation-driven access to solvates and solvent-free crystals: achieving two-solvent-mediated vapochromic luminescence","CrystEngComm","2025","27","46","7484","7490","10.1039/D5CE00946D","","","1.54184","CuKα","","0.0341","0.0333","","","0.0868","0.0878","","","","","","1.029","","","","has coordinates,has disorder","303696","2025-11-29","19:11:25",""
"7251102","10.6796","0.0003","10.6796","0.0003","25.274","0.0012","90","","90","","120","","2496.4","0.15","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C15 H15 Ag N4 O3 -","- C15 H15 Ag N4 O3 -","- C90 H90 Ag6 N24 O18 -","6","1","","Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A.","Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies","CrystEngComm","2025","","","","","10.1039/D5CE00829H","","","1.54178","CuKα","","0.0397","0.0391","","","0.0983","0.0989","","","","","","1.038","","","","has coordinates,has disorder","303016","2025-10-28","09:16:40",""
"7251103","7.4692","0.0005","9.0221","0.0007","15.0268","0.001","80.89","0.006","81.659","0.006","82.125","0.006","982.51","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Ag Br3 N4 O3 -","- C15 H12 Ag Br3 N4 O3 -","- C30 H24 Ag2 Br6 N8 O6 -","2","1","","Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A.","Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies","CrystEngComm","2025","","","","","10.1039/D5CE00829H","","x-ray","0.71073","MoKα","","0.1277","0.0551","","","0.0866","0.1001","","","","","","1.001","","","","has coordinates","303016","2025-10-28","09:16:59",""
"7251104","18.667","0.003","10.5025","0.0013","17.581","0.002","90","","99.65","0.013","90","","3398","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 Ag N4 O3 -","- C15 H15 Ag N4 O3 -","- C120 H120 Ag8 N32 O24 -","8","1","","Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A.","Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies","CrystEngComm","2025","","","","","10.1039/D5CE00829H","","x-ray","0.71073","MoKα","","0.102","0.0496","","","0.1113","0.1239","","","","","","0.991","","","","has coordinates","303016","2025-10-28","09:17:02",""
"7251105","15.04","0.004","15.04","0.004","7.918","0.003","90","","90","","120","","1551.1","0.8","296","2","296","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C18 H21 Ag N4 O3 -","- C18 H21 Ag N4 O3.9999 -","- C54 H63 Ag3 N12 O11.9997 -","3","0.166667","","Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A.","Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies","CrystEngComm","2025","","","","","10.1039/D5CE00829H","","x-ray","0.71073","MoKα","","0.1391","0.0667","","","0.1735","0.198","","","","","","0.979","","","","has coordinates,has disorder","303016","2025-10-28","09:17:05",""
"7251106","7.3646","0.0005","9.0861","0.0006","10.5942","0.0007","88.57","0.003","74.611","0.003","74.664","0.003","658.38","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Ag N3 O3 -","- C12 H14 Ag N3 O3 -","- C24 H28 Ag2 N6 O6 -","2","1","","Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A.","Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies","CrystEngComm","2025","","","","","10.1039/D5CE00829H","","","1.54178","CuKα","","0.0492","0.0475","","","0.1373","0.1394","","","","","","1.077","","","","has coordinates","303016","2025-10-28","09:17:08",""
"7251107","7.5615","0.0006","9.927","0.0005","19.0398","0.001","90","","99.541","0.006","90","","1409.42","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Ag N3 O3 -","- C12 H14 Ag N3 O3 -","- C48 H56 Ag4 N12 O12 -","4","1","","Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A.","Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies","CrystEngComm","2025","","","","","10.1039/D5CE00829H","","x-ray","0.71073","MoKα","","0.0601","0.0329","","","0.0846","0.0901","","","","","","1.04","","","","has coordinates,has disorder","303016","2025-10-28","09:17:10",""
"7251108","7.5095","0.0007","20.5024","0.0018","9.176","0.0009","90","","105.706","0.009","90","","1360","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ag N3 O3 -","- C12 H14 Ag N3 O3 -","- C48 H56 Ag4 N12 O12 -","4","0.5","","Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A.","Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies","CrystEngComm","2025","","","","","10.1039/D5CE00829H","","x-ray","0.71073","MoKα","","0.045","0.0299","","","0.0734","0.0771","","","","","","1.03","","","","has coordinates,has disorder","303016","2025-10-28","09:17:14",""
"7251109","9.0446","0.0005","9.4801","0.0006","9.9233","0.0007","67.336","0.006","64.591","0.006","69.458","0.006","691.41","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 Ag2 N6 O6 -","- C24 H28 Ag2 N6 O6 -","- C24 H28 Ag2 N6 O6 -","1","0.5","","Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A.","Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies","CrystEngComm","2025","","","","","10.1039/D5CE00829H","","x-ray","0.71073","MoKα","","0.0813","0.0642","","","0.178","0.1899","","","","","","1.079","","","","has coordinates,has disorder","303016","2025-10-28","09:17:16",""
"7251110","8.4906","0.0007","30.3813","0.0018","9.46","0.0006","90","","107.563","0.008","90","","2326.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Ag N4 O3 -","- C21 H27 Ag N4 O3 -","- C84 H108 Ag4 N16 O12 -","4","1","","Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A.","Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies","CrystEngComm","2025","","","","","10.1039/D5CE00829H","","x-ray","0.71073","MoKα","","0.1198","0.0583","","","0.1358","0.153","","","","","","1.039","","","","has coordinates,has disorder","303016","2025-10-28","09:17:19",""
"7251111","8.45","0.003","29.055","0.01","9.635","0.003","90","","110.092","0.009","90","","2221.6","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Ag N4 O3 -","- C21 H27 Ag N4 O3 -","- C84 H108 Ag4 N16 O12 -","4","1","","Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A.","Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies","CrystEngComm","2025","","","","","10.1039/D5CE00829H","","","0.71073","MoKα","","0.1269","0.1025","","","0.2303","0.2393","","","","","","1.143","","","","has coordinates","303016","2025-10-28","09:17:23",""
"7251112","13.5949","0.0008","15.0778","0.001","7.1886","0.0005","90","","100.67","0.006","90","","1448.05","0.17","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ag Br2 N3 O3 -","- C10 H8 Ag Br2 N3 O3 -","- C40 H32 Ag4 Br8 N12 O12 -","4","0.5","","Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A.","Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies","CrystEngComm","2025","","","","","10.1039/D5CE00829H","","x-ray","0.71073","MoKα","","0.0648","0.0511","","","0.1353","0.1404","","","","","","1.071","","","","has coordinates,has disorder","303016","2025-10-28","09:17:35",""
"7251113","8.168","0.0002","10.9027","0.0002","11.8936","0.0002","75.122","0.002","77.773","0.002","80.977","0.002","994.53","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C9.5 H7 N5 Se0.5 -","- C9.5 H7 N5 Se0.5 -","- C38 H28 N20 Se2 -","4","2","","Smirnov, Andrey S.; Katlenok, Eugene A.; Vakhrushev, Aleksandr Yu.; Krasilnikov, Vitalii A.; Belskaya, Nataliya P.; Katkova, Svetlana A.; Bokach, Nadezhda A.","Divergent noncovalent interactions of isomeric nitrile and isocyanide groups in selenodiazole–triazole cocrystals: σ-hole chalcogen bonding versus π–π stacking","CrystEngComm","2025","27","45","7390","7398","10.1039/D5CE00888C","","x-ray","1.54184","CuKα","","0.04","0.0367","","","0.1211","0.1269","","","","","","1.026","","","","has coordinates","303712","2025-11-29","19:18:14",""
"7251114","11.0474","0.0002","21.2353","0.0002","8.1038","0.0001","90","","94.318","0.001","90","","1895.71","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cocryastals of 2-(4-isocyanophenyl)-5-morpholino-2H-1,2,3-triazole-4-carbonitrile with 1,2,5-selenadiazole-3,4-dicarbonitrile","","- C18 H12 N10 O Se -","- C18 H12 N10 O Se -","- C72 H48 N40 O4 Se4 -","4","1","","Smirnov, Andrey S.; Katlenok, Eugene A.; Vakhrushev, Aleksandr Yu.; Krasilnikov, Vitalii A.; Belskaya, Nataliya P.; Katkova, Svetlana A.; Bokach, Nadezhda A.","Divergent noncovalent interactions of isomeric nitrile and isocyanide groups in selenodiazole–triazole cocrystals: σ-hole chalcogen bonding versus π–π stacking","CrystEngComm","2025","27","45","7390","7398","10.1039/D5CE00888C","","x-ray","1.54184","CuKα","","0.0409","0.0368","","","0.1136","0.12","","","","","","0.969","","","","has coordinates","303712","2025-11-29","19:18:15",""
"7251115","7.4527","0.0002","14.1001","0.0004","14.2337","0.0004","65.216","0.003","82.064","0.003","79.392","0.003","1331.65","0.07","99.96","0.16","100.15","","","","","","","","","4","P -1","-P 1","2","","2-(4-isocyanophenyl)-5-morpholino-2H-1,2,3-triazole-4-carbonitrile","","- C2.24 H1.92 N0.96 O0.16 -","- C2.24 H1.92 N0.96 O0.16 -","- C56 H48 N24 O4 -","25","12.5","","Smirnov, Andrey S.; Katlenok, Eugene A.; Vakhrushev, Aleksandr Yu.; Krasilnikov, Vitalii A.; Belskaya, Nataliya P.; Katkova, Svetlana A.; Bokach, Nadezhda A.","Divergent noncovalent interactions of isomeric nitrile and isocyanide groups in selenodiazole–triazole cocrystals: σ-hole chalcogen bonding versus π–π stacking","CrystEngComm","2025","27","45","7390","7398","10.1039/D5CE00888C","","","1.54184","CuKα","","0.0411","0.0381","","","0.1062","0.1091","","","","","","0.948","","","","has coordinates","303712","2025-11-29","19:18:15",""
"7251116","7.7842","0.0008","22.6186","0.0009","13.3599","0.0014","90","","136.167","0.019","90","","1629.1","0.6","150","0.1","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O2 Pt S -","- C19 H13 N3 O2 Pt S -","- C76 H52 N12 O8 Pt4 S4 -","4","1","","Stubbs, Clare L.; Bryant, Mathew J.; Hatcher, Lauren E.; Raithby, Paul R.","Manipulating vapochromic or solvatochromic properties of platinum(ii) pincer complexes through ligand modifications","CrystEngComm","2025","27","46","7498","7513","10.1039/D5CE00747J","","","0.71073","MoKα","","0.0602","0.0406","","","0.0662","0.0745","","","","","","0.997","","","","has coordinates","303697","2025-11-29","19:11:50",""
"7251117","7.2737","0.0004","10.8511","0.0005","11.9475","0.0007","64.988","0.005","88.479","0.004","72.764","0.004","810.85","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 N3 O3 Pt -","- C19 H13 N3 O3 Pt -","- C38 H26 N6 O6 Pt2 -","2","1","","Stubbs, Clare L.; Bryant, Mathew J.; Hatcher, Lauren E.; Raithby, Paul R.","Manipulating vapochromic or solvatochromic properties of platinum(ii) pincer complexes through ligand modifications","CrystEngComm","2025","27","46","7498","7513","10.1039/D5CE00747J","","","0.71073","MoKα","","0.0306","0.0273","","","0.0626","0.0647","","","","","","1.024","","","","has coordinates","303697","2025-11-29","19:11:55",""
"7251118","7.08014","0.00016","15.7289","0.0007","18.5245","0.0007","73.209","0.004","84.553","0.003","80.933","0.003","1947.64","0.13","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 N4 O13 Pt2 -","- C40 H42 N4 O13 Pt2 -","- C80 H84 N8 O26 Pt4 -","2","1","","Stubbs, Clare L.; Bryant, Mathew J.; Hatcher, Lauren E.; Raithby, Paul R.","Manipulating vapochromic or solvatochromic properties of platinum(ii) pincer complexes through ligand modifications","CrystEngComm","2025","27","46","7498","7513","10.1039/D5CE00747J","","","0.71073","MoKα","","0.0687","0.0469","","","0.0707","0.0778","","","","","","1.023","","","","has coordinates","303697","2025-11-29","19:11:55",""
"7251119","6.016","0.0006","10.8276","0.001","18.939","0.002","96.883","0.004","92.383","0.004","93.239","0.003","1221.4","0.2","150.9","","150.9","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H62 N6 O12 -","- C52 H62 N6 O12 -","- C52 H62 N6 O12 -","1","0.5","","Brown, Corey L.; Elliott, Scarlett H.; Woodfine, Sian E.; Hawes, Chris S.","Structural chemistry and environment-dependent fluorescence of a tetratopic pyrrolo[3,2-b]pyrrole ligand","CrystEngComm","2025","27","45","7358","7366","10.1039/D5CE00926J","","","0.71073","MoKα","","0.1176","0.0591","","","0.112","0.1325","","","","","","1.014","","","","has coordinates","303711","2025-11-29","19:17:49",""
"7251120","12.1393","0.0004","13.144","0.0004","15.0291","0.0004","73.654","0.001","81.676","0.001","84.428","0.001","2272.84","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H47 N5 O13 Sr2 -","- C45 H45 N5 O13 Sr2 -","- C90 H90 N10 O26 Sr4 -","2","1","","Brown, Corey L.; Elliott, Scarlett H.; Woodfine, Sian E.; Hawes, Chris S.","Structural chemistry and environment-dependent fluorescence of a tetratopic pyrrolo[3,2-b]pyrrole ligand","CrystEngComm","2025","27","45","7358","7366","10.1039/D5CE00926J","","","0.71073","MoKα","","0.0862","0.0508","","","0.1187","0.1338","","","","","","1.028","","","","has coordinates,has disorder","303711","2025-11-29","19:17:49",""
"7251121","5.9506","0.0005","11.1443","0.0008","13.9257","0.0011","82.324","0.002","82.077","0.002","85.923","0.002","905.17","0.12","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 N4 O10 -","- C42 H40 N4 O10 -","- C42 H40 N4 O10 -","1","0.5","","Brown, Corey L.; Elliott, Scarlett H.; Woodfine, Sian E.; Hawes, Chris S.","Structural chemistry and environment-dependent fluorescence of a tetratopic pyrrolo[3,2-b]pyrrole ligand","CrystEngComm","2025","27","45","7358","7366","10.1039/D5CE00926J","","","0.71073","MoKα","","0.1201","0.0593","","","0.1166","0.1394","","","","","","1.024","","","","has coordinates","303711","2025-11-29","19:17:49",""
"7251122","12.1771","0.0005","13.2036","0.0006","14.7842","0.0006","72.297","0.001","81.998","0.001","82.619","0.001","2233.05","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C37.75 H37 N2 O13.75 Sr2 -","- C37.75 H37 N2 O13.75 Sr2 -","- C75.5 H74 N4 O27.5 Sr4 -","2","1","","Brown, Corey L.; Elliott, Scarlett H.; Woodfine, Sian E.; Hawes, Chris S.","Structural chemistry and environment-dependent fluorescence of a tetratopic pyrrolo[3,2-b]pyrrole ligand","CrystEngComm","2025","27","45","7358","7366","10.1039/D5CE00926J","","","0.71073","MoKα","","0.099","0.057","","","0.1406","0.1576","","","","","","1.04","","","","has coordinates","303711","2025-11-29","19:17:49",""
"7251123","6.2269","0.0001","13.1586","0.0003","15.0552","0.0004","90","","92.462","0.001","90","","1232.44","0.05","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O S -","- C15 H13 N O S -","- C60 H52 N4 O4 S4 -","4","1","","Rao, Feiyang; Hu, Kui; He, Yuanxiang; Zuo, Ziyi; Lv, Shiming; Geng, Shu; Pan, Li; Wang, Hongmei; Huang, Feng","Mechanism-controlled switchable regioselective O- and N-cyclization alkenylation of alkenylbenzamides via dual photoredox and cobalt catalysis","Green Chemistry","2025","27","44","14328","14337","10.1039/D5GC04510J","","","1.54178","CuKα","","0.0812","0.0801","","","0.2429","0.2459","","","","","","1.083","","","","has coordinates","303832","2025-11-29","21:25:32",""
"7251124","6.2451","0.0001","9.7295","0.0002","11.3595","0.0002","82.15","0.002","86.291","0.002","82.644","0.002","677.34","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O -","- C17 H15 N O -","- C34 H30 N2 O2 -","2","1","","Rao, Feiyang; Hu, Kui; He, Yuanxiang; Zuo, Ziyi; Lv, Shiming; Geng, Shu; Pan, Li; Wang, Hongmei; Huang, Feng","Mechanism-controlled switchable regioselective O- and N-cyclization alkenylation of alkenylbenzamides via dual photoredox and cobalt catalysis","Green Chemistry","2025","27","44","14328","14337","10.1039/D5GC04510J","","x-ray","1.54178","CuKα","","0.0483","0.0462","","","0.1235","0.1257","","","","","","1.055","","","","has coordinates","303832","2025-11-29","21:25:33",""
"7251125","13.582","0.004","6.928","0.002","18.231","0.006","90","","94.755","0.008","90","","1709.6","0.9","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O -","- C24 H18 O -","- C96 H72 O4 -","4","1","","Luo, Hui; Wang, Yan; He, Yu; Li, Li; Ma, Yinfeng; Wang, Guohui; Yang, Jinhui","Electrochemical synthesis of tetralones utilizing platinum nanoparticles as the anode material","Green Chemistry","2025","27","43","13644","13650","10.1039/D5GC03300D","","","0.71073","MoKα","","0.2248","0.0971","","","0.2184","0.2875","","","","","","1.024","","","","has coordinates","303833","2025-11-29","21:25:43",""
"7251126","11.45488","0.00017","17.2029","0.0003","9.67733","0.00013","90","","97.5738","0.0013","90","","1890.35","0.05","150","2","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cl F3 N O -","- C23 H19 Cl F3 N O -","- C92 H76 Cl4 F12 N4 O4 -","4","1","","Branco, Daniela; Yektaei, Zahra; Chandrabose, Sureka; Almeida Paz, Filipe Alexandre; Kandhavelu, Meenakshisundaram; Candeias, Nuno R.","Glioblastoma Antitumoral Activity of Tetrahydroquinoline-derived Triarylmethanes","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00585J","","x-ray","0.71073","MoKα","","0.0367","0.0333","","","0.083","0.0851","","","","","","1.066","","","","has coordinates","303045","2025-10-28","11:59:41",""
"7251127","11.1723","0.0002","16.3213","0.0004","10.3436","0.0002","90","","98.802","0.002","90","","1863.91","0.07","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F3 N O -","- C23 H20 F3 N O -","- C92 H80 F12 N4 O4 -","4","1","","Branco, Daniela; Yektaei, Zahra; Chandrabose, Sureka; Almeida Paz, Filipe Alexandre; Kandhavelu, Meenakshisundaram; Candeias, Nuno R.","Glioblastoma Antitumoral Activity of Tetrahydroquinoline-derived Triarylmethanes","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00585J","","x-ray","0.71073","MoKα","","0.0797","0.0663","","","0.1903","0.2031","","","","","","1.071","","","","has coordinates,has disorder","303045","2025-10-28","11:59:49",""
"7251128","7.9684","0.0002","12.2691","0.0003","16.0679","0.0004","78.803","0.002","79.663","0.002","76.349","0.002","1482.67","0.07","150","2","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C37 H27 Cl F3 N O3 -","- C37 H27 Cl F3 N O3 -","- C74 H54 Cl2 F6 N2 O6 -","2","1","","Branco, Daniela; Yektaei, Zahra; Chandrabose, Sureka; Almeida Paz, Filipe Alexandre; Kandhavelu, Meenakshisundaram; Candeias, Nuno R.","Glioblastoma Antitumoral Activity of Tetrahydroquinoline-derived Triarylmethanes","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00585J","","x-ray","0.71073","MoKα","","0.0488","0.0393","","","0.0957","0.1008","","","","","","1.063","","","","has coordinates","303045","2025-10-28","11:59:49",""
"7251129","6.388","0.002","7.282","0.002","26.451","0.009","91.253","0.008","95.768","0.008","96.982","0.008","1214.4","0.7","296","2","296","2","","","","","","","No","4","P -1","-P 1","2","","(2Z,2'Z)-3,3'-(anthracene-9,10-diylbis(4,1-phenylene))bis(2-(4-(octyloxy)phenyl)acrylonitrile)","","- C60 H60 N2 O2 -","- C60 H60 N2 O2 -","- C60 H60 N2 O2 -","1","0.5","","Femina, C.; Yamamoto, Norifumi; Ramya, N. K.; Sajith, Pookkottu K.; Thomas, Reji","Photophysical Divergence Driven by π-Spacer Variations in Anthracene-Cyanostilbene Architecture","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP03033A","","","0.71073","MoKα","","0.1245","0.0607","","","0.1323","0.1679","","","","","","1.016","","","","has coordinates,has disorder","303063","2025-10-28","13:23:06",""
"7251130","6.1036","0.0003","8.6157","0.0005","18.5115","0.001","80.96","0.002","81.39","0.002","85.005","0.002","948.52","0.09","100","2","100","2","","","","","","","No","4","P -1","-P 1","2","","(2Z,2'Z)-3,3'-(anthracene-9,10-diyl)bis(2-(4-(octyloxy)phenyl)acrylonitrile)","","- C48 H52 N2 O2 -","- C48 H52 N2 O2 -","- C48 H52 N2 O2 -","1","0.5","","Femina, C.; Yamamoto, Norifumi; Ramya, N. K.; Sajith, Pookkottu K.; Thomas, Reji","Photophysical Divergence Driven by π-Spacer Variations in Anthracene-Cyanostilbene Architecture","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP03033A","","","0.71073","MoKα","","0.0526","0.0472","","","0.1278","0.1321","","","","","","1.053","","","","has coordinates","303063","2025-10-28","13:23:07",""
"7251131","10.6409","0.0002","12.0862","0.0002","14.1356","0.0004","90","","108.685","0.003","90","","1722.14","0.07","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 Bi2 Br10 N4 O2 -","- C16 H32 Bi2 Br10 N4 O2 -","- C32 H64 Bi4 Br20 N8 O4 -","2","0.5","","Alibi, Amin; Elleuch, Nour; Shova, Sergiu; Lhoste, Jerome; Duval, Guillaume; Boujelbene, Mohamed","Comprehensive structural and DFT analysis of a newly synthesized bismuth-based organic-inorganic hybrid material: in-depth insights into vibrational, optical, and photoluminescence properties of (C<sub>8</sub>H<sub>14</sub>N<sub>2</sub>)<sub>2</sub>[Bi<sub>2</sub>Br<sub>10</sub>]·2H<sub>2</sub>O.","RSC advances","2025","15","48","40439","40455","10.1039/d5ra06614j","","","0.71073","MoKα","","0.0257","0.0231","","","0.0545","0.0553","","","","","","1.071","","","","has coordinates","303065","2025-10-28","13:48:26",""
"7251132","9.6367","0.0006","12.7626","0.0007","11.3363","0.0006","90","","107.192","0.003","90","","1331.95","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H21 B I N3 O -","- C8 H21 B I N3 O -","- C32 H84 B4 I4 N12 O4 -","4","1","","Crowley, Margaret E.; Merchant, Gabriel A.; Davis, James H.; Stachurski, Christopher D.; Zeller, Matthias; Salter, E. A.; Wierzbicki, A.; Trulove, Paul C.; Durkin, David P.; Kingrey, Grace L.; Escalante, Edgar E.; O'Brien, Richard A.; Whillock, Novita M.","Ureas are identified as the first neutral O-donors broadly effective in stabilizing ionic liquids and other salts of boron-centred cations: synthesis and detailed characterization","RSC Advances","2025","15","48","40519","40527","10.1039/D5RA05311K","","","0.71073","MoKα","","0.0626","0.0362","","","0.0863","0.0962","","","","","","1.018","","","","has coordinates","303066","2025-10-28","13:50:33",""
"7251133","10.2265","0.0005","9.5381","0.0005","14.3703","0.0006","90","","95.782","0.002","90","","1394.57","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H23 B I N3 O -","- C8 H23 B I N3 O -","- C32 H92 B4 I4 N12 O4 -","4","1","","Crowley, Margaret E.; Merchant, Gabriel A.; Davis, James H.; Stachurski, Christopher D.; Zeller, Matthias; Salter, E. A.; Wierzbicki, A.; Trulove, Paul C.; Durkin, David P.; Kingrey, Grace L.; Escalante, Edgar E.; O'Brien, Richard A.; Whillock, Novita M.","Ureas are identified as the first neutral O-donors broadly effective in stabilizing ionic liquids and other salts of boron-centred cations: synthesis and detailed characterization","RSC Advances","2025","15","48","40519","40527","10.1039/D5RA05311K","","","0.71073","MoKα","","0.0246","0.0169","","","0.0354","0.0373","","","","","","1.038","","","","has coordinates","303066","2025-10-28","13:50:34",""
"7251134","10.2903","0.0004","8.023","0.0003","21.9128","0.0008","90","","102.169","0.001","90","","1768.45","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H31 B I N3 O -","- C12 H31 B I N3 O -","- C48 H124 B4 I4 N12 O4 -","4","1","","Crowley, Margaret E.; Merchant, Gabriel A.; Davis, James H.; Stachurski, Christopher D.; Zeller, Matthias; Salter, E. A.; Wierzbicki, A.; Trulove, Paul C.; Durkin, David P.; Kingrey, Grace L.; Escalante, Edgar E.; O'Brien, Richard A.; Whillock, Novita M.","Ureas are identified as the first neutral O-donors broadly effective in stabilizing ionic liquids and other salts of boron-centred cations: synthesis and detailed characterization","RSC Advances","2025","15","48","40519","40527","10.1039/D5RA05311K","","","0.71073","MoKα","","0.0259","0.0229","","","0.0478","0.0487","","","","","","1.208","","","","has coordinates,has disorder","303066","2025-10-28","13:50:35",""
"7251135","9.8683","0.0005","15.6874","0.0008","7.9504","0.0005","90","","101.165","0.002","90","","1207.49","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H19 B I N3 O -","- C6 H19 B I N3 O -","- C24 H76 B4 I4 N12 O4 -","4","1","","Crowley, Margaret E.; Merchant, Gabriel A.; Davis, James H.; Stachurski, Christopher D.; Zeller, Matthias; Salter, E. A.; Wierzbicki, A.; Trulove, Paul C.; Durkin, David P.; Kingrey, Grace L.; Escalante, Edgar E.; O'Brien, Richard A.; Whillock, Novita M.","Ureas are identified as the first neutral O-donors broadly effective in stabilizing ionic liquids and other salts of boron-centred cations: synthesis and detailed characterization","RSC Advances","2025","15","48","40519","40527","10.1039/D5RA05311K","","","0.71073","MoKα","","0.0276","0.0232","","","0.0585","0.0601","","","","","","1.106","","","","has coordinates","303066","2025-10-28","13:50:35",""
"7251136","9.8196","0.0004","12.5339","0.0005","11.74","0.0005","90","","96.402","0.001","90","","1435.92","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H23 B I N3 O -","- C8 H23 B I N3 O -","- C32 H92 B4 I4 N12 O4 -","4","1","","Crowley, Margaret E.; Merchant, Gabriel A.; Davis, James H.; Stachurski, Christopher D.; Zeller, Matthias; Salter, E. A.; Wierzbicki, A.; Trulove, Paul C.; Durkin, David P.; Kingrey, Grace L.; Escalante, Edgar E.; O'Brien, Richard A.; Whillock, Novita M.","Ureas are identified as the first neutral O-donors broadly effective in stabilizing ionic liquids and other salts of boron-centred cations: synthesis and detailed characterization","RSC Advances","2025","15","48","40519","40527","10.1039/D5RA05311K","","","0.71073","MoKα","","0.0154","0.0135","","","0.0318","0.0329","","","","","","1.067","","","","has coordinates","303066","2025-10-28","13:50:36",""
"7251137","11.3609","0.0006","7.2321","0.0003","17.9361","0.0009","90","","107.119","0.004","90","","1408.4","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H23 B I N3 O -","- C8 H23 B I N3 O -","- C32 H92 B4 I4 N12 O4 -","4","1","","Crowley, Margaret E.; Merchant, Gabriel A.; Davis, James H.; Stachurski, Christopher D.; Zeller, Matthias; Salter, E. A.; Wierzbicki, A.; Trulove, Paul C.; Durkin, David P.; Kingrey, Grace L.; Escalante, Edgar E.; O'Brien, Richard A.; Whillock, Novita M.","Ureas are identified as the first neutral O-donors broadly effective in stabilizing ionic liquids and other salts of boron-centred cations: synthesis and detailed characterization","RSC Advances","2025","15","48","40519","40527","10.1039/D5RA05311K","","","1.54178","CuKα","","0.1193","0.0754","","","0.1851","0.2149","","","","","","1.101","","","","has coordinates","303066","2025-10-28","13:50:37",""
"7251138","9.9877","0.0007","17.8852","0.001","7.0593","0.0004","90","","90","","90","","1261.02","0.13","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H19 B I N3 O -","- C6 H19 B I N3 O -","- C24 H76 B4 I4 N12 O4 -","4","1","","Crowley, Margaret E.; Merchant, Gabriel A.; Davis, James H.; Stachurski, Christopher D.; Zeller, Matthias; Salter, E. A.; Wierzbicki, A.; Trulove, Paul C.; Durkin, David P.; Kingrey, Grace L.; Escalante, Edgar E.; O'Brien, Richard A.; Whillock, Novita M.","Ureas are identified as the first neutral O-donors broadly effective in stabilizing ionic liquids and other salts of boron-centred cations: synthesis and detailed characterization","RSC Advances","2025","15","48","40519","40527","10.1039/D5RA05311K","","","0.71073","MoKα","","0.076","0.0403","","","0.0698","0.0816","","","","","","1.044","","","","has coordinates","303066","2025-10-28","13:50:39",""
"7251139","11.7816","0.0009","8.5561","0.0006","13.0621","0.0009","90","","90","","90","","1316.72","0.16","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C5 H17 B F6 N3 O P -","- C5 H17 B F6 N3 O P -","- C20 H68 B4 F24 N12 O4 P4 -","4","0.5","","Crowley, Margaret E.; Merchant, Gabriel A.; Davis, James H.; Stachurski, Christopher D.; Zeller, Matthias; Salter, E. A.; Wierzbicki, A.; Trulove, Paul C.; Durkin, David P.; Kingrey, Grace L.; Escalante, Edgar E.; O'Brien, Richard A.; Whillock, Novita M.","Ureas are identified as the first neutral O-donors broadly effective in stabilizing ionic liquids and other salts of boron-centred cations: synthesis and detailed characterization","RSC Advances","2025","15","48","40519","40527","10.1039/D5RA05311K","","","0.71073","MoKα","","0.0541","0.0397","","","0.1084","0.1168","","","","","","1.028","","","","has coordinates,has disorder","303066","2025-10-28","13:50:41",""
"7251140","6.8276","0.0003","18.2829","0.0008","10.3532","0.0004","90","","93.525","0.002","90","","1289.93","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H21 B I N3 O -","- C7 H21 B I N3 O -","- C28 H84 B4 I4 N12 O4 -","4","1","","Crowley, Margaret E.; Merchant, Gabriel A.; Davis, James H.; Stachurski, Christopher D.; Zeller, Matthias; Salter, E. A.; Wierzbicki, A.; Trulove, Paul C.; Durkin, David P.; Kingrey, Grace L.; Escalante, Edgar E.; O'Brien, Richard A.; Whillock, Novita M.","Ureas are identified as the first neutral O-donors broadly effective in stabilizing ionic liquids and other salts of boron-centred cations: synthesis and detailed characterization","RSC Advances","2025","15","48","40519","40527","10.1039/D5RA05311K","","","0.71073","MoKα","","0.0246","0.021","","","0.0458","0.0471","","","","","","1.165","","","","has coordinates","303066","2025-10-28","13:50:52",""
"7251141","8.9317","0.0004","22.3717","0.001","9.821","0.0004","90","","90.539","0.002","90","","1962.32","0.15","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H21 B F6 N4 O5 S2 -","- C9 H21 B F6 N4 O5 S2 -","- C36 H84 B4 F24 N16 O20 S8 -","4","1","","Crowley, Margaret E.; Merchant, Gabriel A.; Davis, James H.; Stachurski, Christopher D.; Zeller, Matthias; Salter, E. A.; Wierzbicki, A.; Trulove, Paul C.; Durkin, David P.; Kingrey, Grace L.; Escalante, Edgar E.; O'Brien, Richard A.; Whillock, Novita M.","Ureas are identified as the first neutral O-donors broadly effective in stabilizing ionic liquids and other salts of boron-centred cations: synthesis and detailed characterization","RSC Advances","2025","15","48","40519","40527","10.1039/D5RA05311K","","","0.71073","MoKα","","0.0548","0.0378","","","0.0911","0.0998","","","","","","1.036","","","","has coordinates","303066","2025-10-28","13:50:53",""
"7251142","19.249","0.012","16.089","0.003","19.492","0.006","90","","90","","90","","6037","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H43 B2 N3 O -","- C33 H43 B2 N3 O -","- C264 H344 B16 N24 O8 -","8","1","","Crowley, Margaret E.; Merchant, Gabriel A.; Davis, James H.; Stachurski, Christopher D.; Zeller, Matthias; Salter, E. A.; Wierzbicki, A.; Trulove, Paul C.; Durkin, David P.; Kingrey, Grace L.; Escalante, Edgar E.; O'Brien, Richard A.; Whillock, Novita M.","Ureas are identified as the first neutral O-donors broadly effective in stabilizing ionic liquids and other salts of boron-centred cations: synthesis and detailed characterization","RSC Advances","2025","15","48","40519","40527","10.1039/D5RA05311K","","","0.71073","MoKα","","0.0597","0.0434","","","0.1074","0.1203","","","","","","1.038","","","","has coordinates,has disorder","303066","2025-10-28","13:50:53",""
"7251143","8.544","0.004","9.321","0.004","47.36","0.03","90","","90.952","0.019","90","","3771","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H19 B F6 N4 O5 S2 -","- C8 H19 B F6 N4 O5 S2 -","- C64 H152 B8 F48 N32 O40 S16 -","8","2","","Crowley, Margaret E.; Merchant, Gabriel A.; Davis, James H.; Stachurski, Christopher D.; Zeller, Matthias; Salter, E. A.; Wierzbicki, A.; Trulove, Paul C.; Durkin, David P.; Kingrey, Grace L.; Escalante, Edgar E.; O'Brien, Richard A.; Whillock, Novita M.","Ureas are identified as the first neutral O-donors broadly effective in stabilizing ionic liquids and other salts of boron-centred cations: synthesis and detailed characterization","RSC Advances","2025","15","48","40519","40527","10.1039/D5RA05311K","","","1.54178","CuKα","","0.0594","0.0521","","","0.1342","0.1399","","","","","","1.06","","","","has coordinates","303066","2025-10-28","13:50:55",""
"7251144","10.731","0.007","5.879","0.004","24.449","0.017","90","","94.21","0.03","90","","1538.3","1.8","147.81","","147.81","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 O4 -","- C20 H17 O4 -","- C80 H68 O16 -","4","1","","Falasca, Valerio; Yee, Eugene; Sabir, Shekh; Bhadbade, Mohan; Wenholz, Daniel S.; StC Black, David; Kumar, Naresh","Synthesis and biological evaluation of pyrano and furano fused ring isoflavene derivatives.","RSC advances","2025","15","47","40149","40163","10.1039/d5ra06129f","","","0.71073","MoKα","","0.1726","0.0927","","","0.2151","0.253","","","","","","1.041","","","","has coordinates","303067","2025-10-28","13:52:12",""
"7251145","5.1486","0.0011","11.036","0.002","14.01","0.003","90","","94.408","0.01","90","","793.7","0.3","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N O6 -","- C15 H21 N O6 -","- C30 H42 N2 O12 -","2","1","","Halder, Tapas; Hore, Ratul; Das, Susanta; Sett, Subhadip; Maity, Joykrishna","Acid-catalysed rearrangement of acyl groups: synthesis of β-d-gluco aminocyclopentitols and carbanucleoside derivatives.","RSC advances","2025","15","48","40390","40399","10.1039/d5ra05811b","","x-ray","0.71073","MoKα","","0.0771","0.0445","","","0.096","0.1048","","","","","","1.023","","","","has coordinates","303068","2025-10-28","13:53:13",""
"7251146","17.9551","0.0012","7.5298","0.0005","20.8678","0.0014","90","","98.955","0.003","90","","2786.9","0.3","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22.33 N O5.67 -","- C20 H22.3333 N O5.66667 -","- C120 H134 N6 O34 -","6","3","","Halder, Tapas; Hore, Ratul; Das, Susanta; Sett, Subhadip; Maity, Joykrishna","Acid-catalysed rearrangement of acyl groups: synthesis of β-d-gluco aminocyclopentitols and carbanucleoside derivatives.","RSC advances","2025","15","48","40390","40399","10.1039/d5ra05811b","","x-ray","0.71073","MoKα","","0.1392","0.082","","","0.1582","0.1756","","","","","","1.132","","","","has coordinates","303068","2025-10-28","13:53:16",""
"7251147","23.3655","0.0007","9.5263","0.0003","30.8642","0.001","90","","108.24","0.0019","90","","6524.8","0.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H26 Cl6 F N O3 -","- C33 H26 Cl6 F N O3 -","- C264 H208 Cl48 F8 N8 O24 -","8","1","","Dietl, Martin C.; Hüßler, Christopher; Scherr, Matthias; Frederiksen, Zoé M.; Graf, Jürgen; Rominger, Frank; Rudolph, Matthias; Caligiuri, Isabella; Tripodi, Laura; Rizzolio, Flavio; Scattolin, Thomas; Hashmi, A. Stephen K.","Synthesis of azulenyl-substituted gold(i)-carbene complexes and investigation of their anticancer activity","RSC Advances","2025","15","49","41260","41269","10.1039/D5RA07020A","","","0.71073","MoKα","","0.1252","0.0803","","","0.2067","0.2411","","","","","","1.028","","","","has coordinates","303069","2025-10-28","13:54:42",""
"7251148","14.66","0.002","15.507","0.002","15.652","0.002","89.298","0.003","89.61","0.003","88.852","0.004","3557.2","0.8","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.5 H34.5 Au Cl F N2 O2 -","- C40.5 H34.5 Au Cl F N2 O2 -","- C162 H138 Au4 Cl4 F4 N8 O8 -","4","2","","Dietl, Martin C.; Hüßler, Christopher; Scherr, Matthias; Frederiksen, Zoé M.; Graf, Jürgen; Rominger, Frank; Rudolph, Matthias; Caligiuri, Isabella; Tripodi, Laura; Rizzolio, Flavio; Scattolin, Thomas; Hashmi, A. Stephen K.","Synthesis of azulenyl-substituted gold(i)-carbene complexes and investigation of their anticancer activity","RSC Advances","2025","15","49","41260","41269","10.1039/D5RA07020A","","","0.71073","MoKα","","0.0985","0.0552","","","0.127","0.1471","","","","","","1.038","","","","has coordinates,has disorder","303069","2025-10-28","13:54:45",""
"7251149","12.9318","0.0006","13.3667","0.0006","15.7531","0.0007","90","","110.458","0.0012","90","","2551.3","0.2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Au Cl F N O2 -","- C31 H22 Au Cl F N O2 -","- C124 H88 Au4 Cl4 F4 N4 O8 -","4","1","","Dietl, Martin C.; Hüßler, Christopher; Scherr, Matthias; Frederiksen, Zoé M.; Graf, Jürgen; Rominger, Frank; Rudolph, Matthias; Caligiuri, Isabella; Tripodi, Laura; Rizzolio, Flavio; Scattolin, Thomas; Hashmi, A. Stephen K.","Synthesis of azulenyl-substituted gold(i)-carbene complexes and investigation of their anticancer activity","RSC Advances","2025","15","49","41260","41269","10.1039/D5RA07020A","","","0.71073","MoKα","","0.0649","0.0368","","","0.0611","0.0686","","","","","","1.032","","","","has coordinates","303069","2025-10-28","13:54:46",""
"7251150","9.543","0.0002","9.543","0.0002","70.4724","0.0016","90","","90","","90","","6417.8","0.2","200","2","200","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C35.5 H34 Au Cl2 F N2 O2 -","- C35.5 H34 Au Cl2 F N2 O2 -","- C284 H272 Au8 Cl16 F8 N16 O16 -","8","1","","Dietl, Martin C.; Hüßler, Christopher; Scherr, Matthias; Frederiksen, Zoé M.; Graf, Jürgen; Rominger, Frank; Rudolph, Matthias; Caligiuri, Isabella; Tripodi, Laura; Rizzolio, Flavio; Scattolin, Thomas; Hashmi, A. Stephen K.","Synthesis of azulenyl-substituted gold(i)-carbene complexes and investigation of their anticancer activity","RSC Advances","2025","15","49","41260","41269","10.1039/D5RA07020A","","","0.71073","MoKα","","0.048","0.039","","","0.0852","0.0941","","","","","","1.231","","","","has coordinates,has disorder","303069","2025-10-28","13:54:46",""
"7251151","7.0291","0.0007","31.375","0.003","40.124","0.004","90","","91.392","0.003","90","","8846.3","1.5","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Au Cl3 F N O2 -","- C32 H24 Au Cl3 F N O2 -","- C384 H288 Au12 Cl36 F12 N12 O24 -","12","3","","Dietl, Martin C.; Hüßler, Christopher; Scherr, Matthias; Frederiksen, Zoé M.; Graf, Jürgen; Rominger, Frank; Rudolph, Matthias; Caligiuri, Isabella; Tripodi, Laura; Rizzolio, Flavio; Scattolin, Thomas; Hashmi, A. Stephen K.","Synthesis of azulenyl-substituted gold(i)-carbene complexes and investigation of their anticancer activity","RSC Advances","2025","15","49","41260","41269","10.1039/D5RA07020A","","","0.71073","MoKα","","0.1314","0.0766","","","0.1376","0.1543","","","","","","1.099","","","","has coordinates","303069","2025-10-28","13:54:46",""
"7251152","14.262","0.002","17.54","0.002","12.714","0.002","90","","107.296","0.006","90","","3036.7","0.7","102","2","102","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 Au Cl F N2 O2 -","- C35 H33 Au Cl F N2 O2 -","- C140 H132 Au4 Cl4 F4 N8 O8 -","4","1","","Dietl, Martin C.; Hüßler, Christopher; Scherr, Matthias; Frederiksen, Zoé M.; Graf, Jürgen; Rominger, Frank; Rudolph, Matthias; Caligiuri, Isabella; Tripodi, Laura; Rizzolio, Flavio; Scattolin, Thomas; Hashmi, A. Stephen K.","Synthesis of azulenyl-substituted gold(i)-carbene complexes and investigation of their anticancer activity","RSC Advances","2025","15","49","41260","41269","10.1039/D5RA07020A","","","0.71073","MoKα","","0.1191","0.0573","","","0.1129","0.1366","","","","","","1.01","","","","has coordinates","303069","2025-10-28","13:54:48",""
"7251153","10.9981","0.0009","11.306","0.001","11.7371","0.001","107.674","0.002","102.727","0.003","113.268","0.002","1177","0.18","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N O4 -","- C30 H25 N O4 -","- C60 H50 N2 O8 -","2","1","","Devaraj, Thangaraj; Srinivasan, Kannupal","Three-component reaction of formyl-substituted donor-acceptor cyclopropanes, primary aromatic amines and 2-naphthol: access to cyclopropane fused 2-pyrrolidinone derivatives.","RSC advances","2025","15","47","39689","39695","10.1039/d5ra06663h","","","0.71073","MoKα","","0.0762","0.0495","","","0.1179","0.1366","","","","","","1.034","","","","has coordinates","303070","2025-10-28","13:55:43",""
"7251154","6.8311","0.0002","6.8311","0.0002","36.092","0.003","90","","90","","90","","1684.19","0.16","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H8 Cl4 Co N4 -","- C12 H8 Cl4 Co N4 -","- C48 H32 Cl16 Co4 N16 -","4","0.5","","Khachroum, Hajer; Rhaiem, Abdallah Ben; Abdelbaky, Mohammed S. M.; García-Granda, Santiago; Dammak, Mohamed","Next-generation cobalt hybrid material: structural, luminescence, and dielectric properties for advanced functional applications.","RSC advances","2025","15","48","40687","40697","10.1039/d5ra07430d","","x-ray","0.71073","MoKα","","0.2328","0.0862","","","0.0876","0.1173","","","","","","1.007","","","","has coordinates","303071","2025-10-28","13:56:01",""
"7251155","12.792","0.002","12.973","0.002","14.605","0.002","90","","90","","90","","2423.7","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H26 Br8 N2 Sn -","- C10 H26 Br8 N2 Sn -","- C40 H104 Br32 N8 Sn4 -","4","0.5","","Elghoul, Amal; Ben Salah, Bochra; Hajlaoui, Fadhel; Karoui, Karim; Audebrand, Nathalie; Roisnel, Thierry; Kozma, Erika; Botta, Chiara; Zouari, Nabil","Investigation on the structural, optical, photoluminescence and electric properties of a semiconductor material [Br(CH<sub>2</sub>)<sub>2</sub>N(CH<sub>3</sub>)<sub>3</sub>]<sub>2</sub>SnBr<sub>6</sub>.","RSC advances","2025","15","47","40199","40208","10.1039/d5ra06415e","","","0.71073","MoKα","","0.0307","0.0199","","","0.0346","0.0371","","","","","","1.033","","","","has coordinates","303072","2025-10-28","13:56:22",""
"7251156","9.2929","0.0007","6.5584","0.0004","14.4252","0.0008","90","","95.72","0.004","90","","874.79","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Co N12 O10 -","- C8 H12 Co N12 O10 -","- C16 H24 Co2 N24 O20 -","2","0.5","","Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Morozov, Vitaliy A.; Samsonenko, Arkady A.; Romanenko, Galina; Bogomyakov, Artem","Aqua and ammine 3d metal complexes with anion-radical of difurazanopyrazine","CrystEngComm","2025","","","","","10.1039/D5CE00836K","","","0.71073","MoKα","","0.0758","0.0482","","","0.1069","0.1163","","","","","","0.94","","","","has coordinates","303097","2025-10-29","23:45:40",""
"7251157","8.3743","0.0003","10.4991","0.0004","9.5646","0.0004","90","","108.107","0.0018","90","","799.3","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Cu N16 O4 -","- C8 H12 Cu N16 O4 -","- C16 H24 Cu2 N32 O8 -","2","0.5","","Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Morozov, Vitaliy A.; Samsonenko, Arkady A.; Romanenko, Galina; Bogomyakov, Artem","Aqua and ammine 3d metal complexes with anion-radical of difurazanopyrazine","CrystEngComm","2025","","","","","10.1039/D5CE00836K","","","1.54178","CuKα","","0.0313","0.03","","","0.0849","0.0866","","","","","","1.078","","","","has coordinates","303097","2025-10-29","23:45:41",""
"7251158","9.2553","0.0005","6.5752","0.0004","14.3428","0.0007","90","","95.9","0.004","90","","868.21","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 N12 Ni O10 -","- C8 H12 N12 Ni O10 -","- C16 H24 N24 Ni2 O20 -","2","0.5","","Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Morozov, Vitaliy A.; Samsonenko, Arkady A.; Romanenko, Galina; Bogomyakov, Artem","Aqua and ammine 3d metal complexes with anion-radical of difurazanopyrazine","CrystEngComm","2025","","","","","10.1039/D5CE00836K","","","0.71073","MoKα","","0.081","0.0565","","","0.1646","0.1806","","","","","","0.966","","","","has coordinates","303097","2025-10-29","23:45:41",""
"7251159","8.3767","0.0003","11.2253","0.0004","9.2089","0.0003","90","","111.999","0.0014","90","","802.87","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 N16 Ni O4 -","- C8 H12 N16 Ni O4 -","- C16 H24 N32 Ni2 O8 -","2","0.5","","Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Morozov, Vitaliy A.; Samsonenko, Arkady A.; Romanenko, Galina; Bogomyakov, Artem","Aqua and ammine 3d metal complexes with anion-radical of difurazanopyrazine","CrystEngComm","2025","","","","","10.1039/D5CE00836K","","","1.54178","CuKα","","0.0314","0.0295","","","0.0823","0.0842","","","","","","1.076","","","","has coordinates","303097","2025-10-29","23:45:41",""
"7251160","11.9255","0.0003","8.1437","0.0002","34.919","0.0009","90","","90","","90","","3391.25","0.15","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 N O -","- C23 H17 N O -","- C184 H136 N8 O8 -","8","1","","Yamada, Shinji; Akazawa, Rika; Chida, Moemi","Supramolecular dual-synthon in cocrystals of 1-azaanthracene and naphthols: cooperation between hydrogen bonds and cation–π interactions","CrystEngComm","2025","27","46","7491","7497","10.1039/D5CE01015B","","","1.54187","CuKα","","0.1121","0.0757","","","0.1922","0.2424","","","","","","1.049","","","","has coordinates","303698","2025-11-29","19:12:11",""
"7251161","12.8489","0.0004","12.3073","0.0003","8.3025","0.0002","90","","95.371","0.002","90","","1307.15","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N2 O2 -","- C36 H26 N2 O2 -","- C72 H52 N4 O4 -","2","0.5","","Yamada, Shinji; Akazawa, Rika; Chida, Moemi","Supramolecular dual-synthon in cocrystals of 1-azaanthracene and naphthols: cooperation between hydrogen bonds and cation–π interactions","CrystEngComm","2025","27","46","7491","7497","10.1039/D5CE01015B","","","1.54187","CuKα","","0.086","0.0585","","","0.1678","0.1879","","","","","","1.107","","","","has coordinates","303698","2025-11-29","19:12:11",""
"7251162","7.1764","0.0004","14.0408","0.0008","26.7227","0.0013","99.423","0.004","97.13","0.003","102.165","0.004","2561.3","0.2","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 N2 O2 -","- C36 H26 N2 O2 -","- C144 H104 N8 O8 -","4","2","","Yamada, Shinji; Akazawa, Rika; Chida, Moemi","Supramolecular dual-synthon in cocrystals of 1-azaanthracene and naphthols: cooperation between hydrogen bonds and cation–π interactions","CrystEngComm","2025","27","46","7491","7497","10.1039/D5CE01015B","","","1.54187","CuKα","","0.1162","0.0872","","","0.286","0.3224","","","","","","1.125","","","","has coordinates","303698","2025-11-29","19:12:11",""
"7251163","13.4906","0.0008","10.8297","0.0006","8.9753","0.0005","90","","101.133","0.004","90","","1286.61","0.13","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N2 O -","- C36 H24 N2 O -","- C72 H48 N4 O2 -","2","0.5","","Yamada, Shinji; Akazawa, Rika; Chida, Moemi","Supramolecular dual-synthon in cocrystals of 1-azaanthracene and naphthols: cooperation between hydrogen bonds and cation–π interactions","CrystEngComm","2025","27","46","7491","7497","10.1039/D5CE01015B","","","1.54187","CuKα","","0.1477","0.0877","","","0.2118","0.2913","","","","","","1.451","","","","has coordinates","303698","2025-11-29","19:12:11",""
"7251164","13.8579","0.0005","10.9972","0.0005","8.7947","0.0004","90","","102.687","0.002","90","","1307.57","0.1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N2 O2 -","- C36 H26 N2 O2 -","- C72 H52 N4 O4 -","2","0.5","","Yamada, Shinji; Akazawa, Rika; Chida, Moemi","Supramolecular dual-synthon in cocrystals of 1-azaanthracene and naphthols: cooperation between hydrogen bonds and cation–π interactions","CrystEngComm","2025","27","46","7491","7497","10.1039/D5CE01015B","","","1.54187","CuKα","","0.1129","0.0984","","","0.2816","0.297","","","","","","1.117","","","","has coordinates","303698","2025-11-29","19:12:11",""
"7251165","28.512","0.005","6.7261","0.0004","18.5315","0.0013","90","","113.557","0.012","90","","3257.7","0.7","298","2","298","2","0.38","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1066","0.0803","","","0.23","0.2592","","","","","","1.065","","","","has coordinates","304095","2025-12-06","22:38:29",""
"7251166","28.099","0.005","6.56","0.0004","18.2689","0.0011","90","","113.434","0.01","90","","3089.7","0.7","298","2","298","2","1.17","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.085","0.0651","","","0.1807","0.1967","","","","","","1.066","","","","has coordinates","304095","2025-12-06","22:38:30",""
"7251167","27.928","0.005","6.4713","0.0004","18.1487","0.0013","90","","113.447","0.012","90","","3009.2","0.7","298","2","298","2","1.68","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0799","0.0603","","","0.1622","0.1775","","","","","","1.037","","","","has coordinates","304095","2025-12-06","22:38:30",""
"7251168","27.806","0.006","6.4028","0.0005","18.0642","0.0015","90","","113.52","0.014","90","","2948.9","0.8","298","2","298","2","2.27","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0748","0.0561","","","0.1374","0.149","","","","","","1.049","","","","has coordinates","304095","2025-12-06","22:38:30",""
"7251169","28.224","0.004","6.6179","0.0004","18.353","0.001","90","","113.462","0.009","90","","3144.6","0.6","298","2","298","2","0.84","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0914","0.0699","","","0.1915","0.2092","","","","","","1.082","","","","has coordinates","304095","2025-12-06","22:38:30",""
"7251170","28.753","0.004","6.79","0.0008","18.636","0.005","90","","113.838","0.011","90","","3328","1.1","298","2","298","2","0.29","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1709","0.0958","","","0.2627","0.3232","","","","","","1.072","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251171","30.251","0.01","6.8318","0.0008","16.845","0.002","90","","105.15","0.02","90","","3360.3","1.3","296","2","296","2","0","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1127","0.0415","","","0.0814","0.1057","","","","","","1.03","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251172","28.443","0.009","6.0167","0.0007","15.7781","0.0017","90","","102.951","0.018","90","","2631.5","1","296","2","296","2","5.2","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0605","0.0307","","","0.0703","0.0836","","","","","","1.047","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251173","13.985","0.002","6.0616","0.0006","17.534","0.003","81.661","0.009","109.861","0.012","79.082","0.007","1336.9","0.4","297","","297","","","","","","","","","5","P 1","P 1","1","","","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C72 H84 F4 N12 O18 -","4","4","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1436","0.0864","","","0.2288","0.2761","","","","","","1.014","","","","has coordinates,has disorder","304095","2025-12-06","22:38:31",""
"7251174","27.878","0.003","6.436","0.0006","18.107","0.003","90","","113.447","0.008","90","","2980.5","0.7","298","2","298","2","2.19","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1065","0.0652","","","0.157","0.1835","","","","","","1.028","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251175","28.697","0.007","6.1346","0.0005","15.9813","0.0014","90","","103.278","0.015","90","","2738.2","0.8","296","2","296","2","3.62","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0687","0.0375","","","0.0803","0.0965","","","","","","1.105","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251176","27.562","0.003","6.1945","0.0007","17.83","0.004","90","","113.823","0.009","90","","2784.8","0.8","298","2","298","2","4.05","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1501","0.1074","","","0.2935","0.3265","","","","","","1.204","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251177","29.962","0.013","6.6982","0.0011","16.738","0.003","90","","104.82","0.03","90","","3247.4","1.7","296","2","296","2","0.28","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1124","0.0427","","","0.0842","0.1045","","","","","","1.032","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251178","28.1035","0.0017","6.5548","0.0004","18.263","0.002","90","","113.49","0.004","90","","3085.5","0.4","298","2","298","2","1.26","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.125","0.0794","","","0.2173","0.2642","","","","","","1.034","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251179","29.63","0.007","6.5439","0.0006","16.5404","0.0016","90","","104.354","0.016","90","","3107","0.9","296","2","296","2","0.76","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0932","0.0418","","","0.0967","0.1154","","","","","","1.151","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251180","27.717","0.003","6.3111","0.0006","17.983","0.004","90","","113.633","0.009","90","","2881.9","0.8","298","2","298","2","2.99","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1261","0.0728","","","0.2063","0.2338","","","","","","1.125","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251181","28.803","0.007","6.1832","0.0005","16.0548","0.0014","90","","103.372","0.015","90","","2781.8","0.8","296","2","296","2","3","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0676","0.0357","","","0.0668","0.0815","","","","","","1.097","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251182","29.123","0.007","6.3326","0.0006","16.2627","0.0016","90","","103.781","0.017","90","","2912.9","0.8","296","2","296","2","1.81","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.08","0.0447","","","0.1096","0.1272","","","","","","1.124","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251183","29.051","0.007","6.299","0.0006","16.2226","0.0017","90","","103.694","0.016","90","","2884.2","0.8","296","2","296","2","2.16","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0748","0.0419","","","0.104","0.117","","","","","","1.113","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251184","27.834","0.002","6.401","0.0005","18.072","0.003","90","","113.524","0.005","90","","2952.2","0.6","298","2","298","2","2.4","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0949","0.0687","","","0.1754","0.1965","","","","","","1.057","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251185","29.425","0.01","6.4513","0.0008","16.439","0.002","90","","104.14","0.02","90","","3026.1","1.2","296","2","296","2","1.24","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0984","0.0493","","","0.1115","0.134","","","","","","1.106","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251186","28.547","0.007","6.0686","0.0005","15.8759","0.0014","90","","103.121","0.016","90","","2678.5","0.8","296","2","296","2","4.47","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0687","0.0376","","","0.0748","0.0928","","","","","","1.101","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251187","28.984","0.008","6.2603","0.0006","16.1666","0.0016","90","","103.6","0.018","90","","2851.2","0.9","296","2","296","2","2.47","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0746","0.0385","","","0.0658","0.0789","","","","","","1.149","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251188","8.1969","0.0003","9.9913","0.0003","11.1769","0.0003","96.179","0.002","96.375","0.002","104.189","0.003","873.27","0.05","100","","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C11 H18 Br4 Cd N2 O -","- C11 H18 Br4 Cd N2 O -","- C22 H36 Br8 Cd2 N4 O2 -","2","1","","Li, Jia-Peng; Yuan, Li; Li, Ping; Wu, Ming; Xie, Yong-Tai; Lei, Xiao-Wu; Jing, Zhi-Hong; Gong, Zhongliang","Zero-dimensional organic–inorganic hybrid cadmium halides with broadband blue light emission","CrystEngComm","2025","27","45","7348","7357","10.1039/D5CE00873E","","x-ray","1.54184","CuKα","","0.0426","0.042","","","0.122","0.1222","","","","","","1.006","","","","has coordinates","303710","2025-11-29","19:17:36",""
"7251189","8.1636","0.0003","21.034","0.0009","9.962","0.0004","90","","102.756","0.001","90","","1668.39","0.12","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 Br4 Cd F N2 -","- C10 H15 Br4 Cd F N2 -","- C40 H60 Br16 Cd4 F4 N8 -","4","1","","Li, Jia-Peng; Yuan, Li; Li, Ping; Wu, Ming; Xie, Yong-Tai; Lei, Xiao-Wu; Jing, Zhi-Hong; Gong, Zhongliang","Zero-dimensional organic–inorganic hybrid cadmium halides with broadband blue light emission","CrystEngComm","2025","27","45","7348","7357","10.1039/D5CE00873E","","","0.71073","MoKα","","0.0509","0.0329","","","0.0738","0.0821","","","","","","0.955","","","","has coordinates","303710","2025-11-29","19:17:37",""
"7251190","7.374","0.0008","12.4855","0.0013","15.6727","0.0013","90","","102.702","0.003","90","","1407.6","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N2 O3 S -","- C16 H13 N2 O3 S -","- C64 H52 N8 O12 S4 -","4","1","","Dong, Fu-Wan; Zhang, Yang-Lu; Zhang, Kun-Hua; Chen, Yi; Sun, Ao-Na; Shao, Dong","Proton conduction in three molecular assemblies of bipyridyl-organodisulfonate salts","CrystEngComm","2025","","","","","10.1039/D5CE00880H","","","0.71073","MoKα","","0.0584","0.0405","","","0.0943","0.1035","","","","","","1.041","","","","has coordinates","303124","2025-10-31","23:41:40",""
"7251191","7.8117","0.0009","13.3456","0.0014","22.478","0.003","90","","90","","90","","2343.4","0.5","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N4 O8 S2 -","- C24 H20 N4 O8 S2 -","- C96 H80 N16 O32 S8 -","4","1","","Dong, Fu-Wan; Zhang, Yang-Lu; Zhang, Kun-Hua; Chen, Yi; Sun, Ao-Na; Shao, Dong","Proton conduction in three molecular assemblies of bipyridyl-organodisulfonate salts","CrystEngComm","2025","","","","","10.1039/D5CE00880H","","","0.71073","MoKα","","0.0633","0.0481","","","0.0987","0.1064","","","","","","1.046","","","","has coordinates","303124","2025-10-31","23:41:41",""
"7251192","7.2167","0.0008","15.0373","0.0018","11.0377","0.0014","90","","90.978","0.004","90","","1197.6","0.2","122","","122","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O8 S2 -","- C24 H24 N2 O8 S2 -","- C48 H48 N4 O16 S4 -","2","0.5","","Dong, Fu-Wan; Zhang, Yang-Lu; Zhang, Kun-Hua; Chen, Yi; Sun, Ao-Na; Shao, Dong","Proton conduction in three molecular assemblies of bipyridyl-organodisulfonate salts","CrystEngComm","2025","","","","","10.1039/D5CE00880H","","","0.71073","MoKα","","0.0781","0.058","","","0.1355","0.1496","","","","","","1.036","","","","has coordinates","303124","2025-10-31","23:41:41",""
"7251193","7.958","0.002","7.807","0.002","19.79","0.007","90","","94.813","0.01","90","","1225.2","0.6","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H14 Br4 Cd N2 -","- C4 H14 Br4 Cd N2 -","- C16 H56 Br16 Cd4 N8 -","4","2","","Ma, Li; Wen, Jinrong; Liu, Zhanqiang; Hou, Jingshan; Miao, Xuyan; Fang, Yongzheng; Huang, Yanwei; Zhang, Ganghua","Non-centrosymmetric phase of [C4N2H14][CdBr4] for Solar-Blind Ultraviolet Detection","CrystEngComm","2025","","","","","10.1039/D5CE00884K","","","0.71073","MoKα","","0.1226","0.1121","","","0.2369","0.2423","","","","","","1.032","","","","has coordinates,has disorder","303125","2025-10-31","23:42:01",""
"7251194","8.1357","0.0001","10.6328","0.0001","14.3118","0.0002","90","","90","","90","","1238.05","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Zhang, Jing-Yi; Li, Ming-Han; Cui, Yu-Shun; Yang, Ying; Lai, Miao; Gao, Zi-Xun; Zheng, Lin-Yu; Lu, Si-Ao; Liu, Bin-Tao; Lu, Fang-Ling; Feng, Yu-Lin","Site-selective electrochemical C(sp3)–H late-stage functionalization of pyrazolones","Green Chemistry","2025","27","46","14783","14791","10.1039/D5GC02947C","","x-ray","1.54184","CuKα","","0.0248","0.0244","","","0.0624","0.0625","","","","","","1.075","","","","has coordinates","303840","2025-11-29","21:27:20",""
"7251195","8.1693","0.001","9.2052","0.0009","16.684","0.002","96.026","0.009","95.209","0.01","102.224","0.009","1211.1","0.2","297","2","297","2","","","","","","","","4","P -1","-P 1","2","BINOL + DACH comme synonyms","1,1'-bi-2-naphtol + trans-cyclohexane-1,2-diamine","","- C28 H32 N2 O3 -","- C28 H32 N2 O3 -","- C56 H64 N4 O6 -","2","1","","de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Robeyns, Koen; Leyssens, Tom","Solvent selection as a major determinant of chiral resolution outcomes: The BINOL-DACH case study","CrystEngComm","2025","","","","","10.1039/D5CE00706B","","","0.71073","MoKα","","0.0544","0.0454","","","0.1183","0.1239","","","","","","1.055","","","","has coordinates,has disorder","303171","2025-11-05","00:28:01",""
"7251196","8.1707","0.0005","29.731","0.002","9.0449","0.0006","90","","101.667","0.006","90","","2151.8","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BINOL + DACH","1,1'-bi-2-naphtol + trans-cyclohexane-1,2-diamine","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C104 H112 N8 O8 -","4","1","","de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Robeyns, Koen; Leyssens, Tom","Solvent selection as a major determinant of chiral resolution outcomes: The BINOL-DACH case study","CrystEngComm","2025","","","","","10.1039/D5CE00706B","","","0.71073","MoKα","","0.1398","0.0831","","","0.1398","0.1616","","","","","","1.124","","","","has coordinates","303171","2025-11-05","00:28:30",""
"7251197","10.2697","0.0012","11.14","0.002","11.3987","0.0017","108.518","0.016","101.58","0.012","101.228","0.014","1163.5","0.4","297","2","297","2","","","","","","","","4","P -1","-P 1","2","BINOL + DACH","1,1'-bi-2-naphtol + trans-cyclohexane-1,2-diamine","","- C27 H32 N2 O3 -","- C27 H32 N2 O3 -","- C54 H64 N4 O6 -","2","1","","de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Robeyns, Koen; Leyssens, Tom","Solvent selection as a major determinant of chiral resolution outcomes: The BINOL-DACH case study","CrystEngComm","2025","","","","","10.1039/D5CE00706B","","","0.71073","MoKα","","0.0793","0.0612","","","0.1531","0.1624","","","","","","1.059","","","","has coordinates,has disorder","303171","2025-11-05","00:28:31",""
"7251198","12.3993","0.0015","14.0194","0.001","15.3719","0.0012","90","","90","","90","","2672.1","0.4","297","2","297","2","","","","","","","","4","C 2 2 21","C 2c 2","20","BINOL + DACH","1,1'-bi-2-naphtol + trans-cyclohexane-1,2-diamine","","- C32 H34 N2 O2 -","- C32 H34 N2 O2 -","- C128 H136 N8 O8 -","4","0.5","","de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Robeyns, Koen; Leyssens, Tom","Solvent selection as a major determinant of chiral resolution outcomes: The BINOL-DACH case study","CrystEngComm","2025","","","","","10.1039/D5CE00706B","","","0.71073","MoKα","","0.106","0.0612","","","0.1342","0.1544","","","","","","1.061","","","","has coordinates","303171","2025-11-05","00:28:32",""
"7251199","9.85511","0.00018","15.3092","0.0003","28.292","0.0006","90","","90","","90","","4268.52","0.15","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","BINOL + DACH","1,1'-bi-2-naphtol + trans-cyclohexane-1,2-diamine","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C208 H224 N16 O16 -","8","2","","de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Robeyns, Koen; Leyssens, Tom","Solvent selection as a major determinant of chiral resolution outcomes: The BINOL-DACH case study","CrystEngComm","2025","","","","","10.1039/D5CE00706B","","","0.71073","MoKα","","0.0459","0.0363","","","0.0787","0.0823","","","","","","1.059","","","","has coordinates","303171","2025-11-05","00:28:53",""
"7251200","10.3936","0.0012","11.2508","0.0009","20.951","0.002","87.176","0.007","89.274","0.008","76.533","0.008","2379.7","0.4","297","2","297","2","","","","","","","","4","P 1","P 1","1","BINOL + DACH","1,1'-bi-2-naphtol + trans-cyclohexane-1,2-diamine","","- C110 H132 N8 O12 -","- C110 H132 N8 O12 -","- C110 H132 N8 O12 -","1","1","","de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Robeyns, Koen; Leyssens, Tom","Solvent selection as a major determinant of chiral resolution outcomes: The BINOL-DACH case study","CrystEngComm","2025","","","","","10.1039/D5CE00706B","","","0.71073","MoKα","","0.1197","0.068","","","0.1648","0.1907","","","","","","1.024","","","","has coordinates,has disorder","303171","2025-11-05","00:28:57",""
"7251201","21.7871","0.0005","5.11704","0.00012","10.0754","0.0003","90","","98.14","0.002","90","","1111.94","0.05","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H2 F5 N O -","- C3 H2 F5 N O -","- C24 H16 F40 N8 O8 -","8","1","","Uran, Erik; Lozinšek, Matic","Hydrogen-bonded salt cocrystals of xenon difluoride and protonated perfluoroamides","CrystEngComm","2025","","","","","10.1039/D5CE00956A","","x-ray","1.54184","CuKα","","0.0507","0.0484","","","0.1355","0.1384","","","","","","1.115","","","","has coordinates","303172","2025-11-05","00:31:35",""
"7251202","6.17592","0.00015","7.94187","0.00019","21.7914","0.0005","90","","96.014","0.002","90","","1062.95","0.04","100.02","0.18","100.02","0.18","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 As F13 N O -","- C4 H3 As F13 N O -","- C16 H12 As4 F52 N4 O4 -","4","1","","Uran, Erik; Lozinšek, Matic","Hydrogen-bonded salt cocrystals of xenon difluoride and protonated perfluoroamides","CrystEngComm","2025","","","","","10.1039/D5CE00956A","","x-ray","0.56087","AgKα","","0.032","0.0265","","","0.0655","0.0677","","","","","","1.054","","","","has coordinates,has disorder","303172","2025-11-05","00:31:43",""
"7251203","8.62011","0.00014","35.5418","0.0005","8.7191","0.00012","90","","90","","90","","2671.31","0.07","100","0.1","100","0.1","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C4 H3 As F15 N O Xe -","- C4 H3 As F15 N O Xe -","- C32 H24 As8 F120 N8 O8 Xe8 -","8","1","","Uran, Erik; Lozinšek, Matic","Hydrogen-bonded salt cocrystals of xenon difluoride and protonated perfluoroamides","CrystEngComm","2025","","","","","10.1039/D5CE00956A","","x-ray","0.56087","AgKα","","0.0309","0.0264","","","0.0641","0.0662","","","","","","1.137","","","","has coordinates","303172","2025-11-05","00:31:45",""
"7251204","5.11713","0.00018","5.27137","0.00014","12.7768","0.0003","95.467","0.002","91.89","0.003","105.584","0.003","329.848","0.017","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H2 F7 N O -","- C4 H2 F7 N O -","- C8 H4 F14 N2 O2 -","2","1","","Uran, Erik; Lozinšek, Matic","Hydrogen-bonded salt cocrystals of xenon difluoride and protonated perfluoroamides","CrystEngComm","2025","","","","","10.1039/D5CE00956A","","x-ray","1.54184","CuKα","","0.0288","0.028","","","0.0752","0.0759","","","","","","1.058","","","","has coordinates","303172","2025-11-05","00:31:46",""
"7251205","9.8191","0.00018","7.90095","0.00013","20.5015","0.0004","90","","98.6498","0.0018","90","","1572.42","0.05","100","0.11","100","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 As F9 N O -","- C2 H3 As F9 N O -","- C16 H24 As8 F72 N8 O8 -","8","2","","Uran, Erik; Lozinšek, Matic","Hydrogen-bonded salt cocrystals of xenon difluoride and protonated perfluoroamides","CrystEngComm","2025","","","","","10.1039/D5CE00956A","","x-ray","0.56087","AgKα","","0.0533","0.0327","","","0.0804","0.0865","","","","","","1.033","","","","has coordinates","303172","2025-11-05","00:31:48",""
"7251206","11.5349","0.0002","14.0649","0.0003","7.78994","0.00014","90","","90","","90","","1263.82","0.04","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H7 As F12 N2 O3 -","- C4 H7 As F12 N2 O3 -","- C16 H28 As4 F48 N8 O12 -","4","0.5","","Uran, Erik; Lozinšek, Matic","Hydrogen-bonded salt cocrystals of xenon difluoride and protonated perfluoroamides","CrystEngComm","2025","","","","","10.1039/D5CE00956A","","x-ray","1.54184","CuKα","","0.0437","0.0366","","","0.081","0.0853","","","","","","1.087","","","","has coordinates","303172","2025-11-05","00:31:49",""
"7251207","7.41785","0.00009","9.84875","0.00011","14.90113","0.00017","90","","99.4517","0.0011","90","","1073.85","0.02","100","0.12","100","0.12","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C2 H3 As F11 N O Xe -","- C2 H3 As F11 N O Xe -","- C8 H12 As4 F44 N4 O4 Xe4 -","4","1","","Uran, Erik; Lozinšek, Matic","Hydrogen-bonded salt cocrystals of xenon difluoride and protonated perfluoroamides","CrystEngComm","2025","","","","","10.1039/D5CE00956A","","x-ray","0.56087","AgKα","","0.0295","0.0252","","","0.0649","0.0668","","","","","","1.033","","","","has coordinates,has disorder","303172","2025-11-05","00:31:51",""
"7251208","5.32051","0.00004","10.45222","0.00009","16.1017","0.00012","90.574","0.0006","90.876","0.0006","103.04","0.0007","872.157","0.012","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C8 H5 As F20 N2 O2 -","- C8 H5 As F20 N2 O2 -","- C16 H10 As2 F40 N4 O4 -","2","1","","Uran, Erik; Lozinšek, Matic","Hydrogen-bonded salt cocrystals of xenon difluoride and protonated perfluoroamides","CrystEngComm","2025","","","","","10.1039/D5CE00956A","","x-ray","0.56087","AgKα","","0.025","0.0217","","","0.0544","0.0554","","","","","","1.046","","","","has coordinates","303172","2025-11-05","00:31:54",""
"7251209","5.2815","0.0003","10.1517","0.0006","12.4911","0.0006","108.936","0.005","93.107","0.005","102.904","0.005","611.63","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C4 H5 As F12 N2 O2 -","- C4 H5 As F12 N2 O2 -","- C8 H10 As2 F24 N4 O4 -","2","1","","Uran, Erik; Lozinšek, Matic","Hydrogen-bonded salt cocrystals of xenon difluoride and protonated perfluoroamides","CrystEngComm","2025","","","","","10.1039/D5CE00956A","","x-ray","1.54184","CuKα","","0.0718","0.0471","","","0.1121","0.125","","","","","","1.031","","","","has coordinates","303172","2025-11-05","00:31:56",""
"7251210","8.12957","0.00013","25.2768","0.0004","9.34322","0.00016","90","","90","","90","","1919.93","0.05","100.01","0.11","100.01","0.11","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C3 H3 As F11 N O -","- C3 H3 As F11 N O -","- C24 H24 As8 F88 N8 O8 -","8","1","","Uran, Erik; Lozinšek, Matic","Hydrogen-bonded salt cocrystals of xenon difluoride and protonated perfluoroamides","CrystEngComm","2025","","","","","10.1039/D5CE00956A","","x-ray","0.56087","AgKα","","0.0391","0.0273","","","0.0555","0.0581","","","","","","1.09","","","","has coordinates,has disorder","303172","2025-11-05","00:32:09",""
"7251211","8.67561","0.0001","31.0125","0.0004","8.65174","0.00009","90","","90","","90","","2327.77","0.05","100.01","0.1","100.01","0.1","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C3 H3 As F13 N O Xe -","- C3 H3 As F13 N O Xe -","- C24 H24 As8 F104 N8 O8 Xe8 -","8","1","","Uran, Erik; Lozinšek, Matic","Hydrogen-bonded salt cocrystals of xenon difluoride and protonated perfluoroamides","CrystEngComm","2025","","","","","10.1039/D5CE00956A","","x-ray","0.56087","AgKα","","0.025","0.0175","","","0.0362","0.0381","","","","","","1.039","","","","has coordinates","303172","2025-11-05","00:32:10",""
"7251212","12.1499","0.0016","10.8322","0.0016","28.141","0.004","90","","94.231","0.005","90","","3693.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","N,N'-bis(9-(4-chlorophenyl)-9-thioxanthenyl)ethylenediamine 3-methylpyridine clathrate","","- C46 H37 Cl2 N3 S2 -","- C46 H37 Cl2 N3 S2 -","- C184 H148 Cl8 N12 S8 -","4","1","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric Cyriel","Chloro-containing host compounds with fused tricyclic moieties and diamino linkers: host ability and affinity behaviour in pyridine/methylpyridines","CrystEngComm","2025","","","","","10.1039/D5CE00969C","","","0.71073","MoKα","","0.0449","0.0354","","","0.0859","0.0914","","","","","","1.024","","","","has coordinates,has disorder","303173","2025-11-05","00:35:42",""
"7251213","11.031","0.002","11.772","0.002","28.132","0.006","90","","92.86","0.007","90","","3648.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","N,N'-bis(9-(4-chlorophenyl)-9-thioxanthenyl)ethylenediamine pyridine clathrate","","- C45 H35 Cl2 N3 S2 -","- C45 H35 Cl2 N3 S2 -","- C180 H140 Cl8 N12 S8 -","4","1","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric Cyriel","Chloro-containing host compounds with fused tricyclic moieties and diamino linkers: host ability and affinity behaviour in pyridine/methylpyridines","CrystEngComm","2025","","","","","10.1039/D5CE00969C","","","0.71073","MoKα","","0.037","0.0328","","","0.0829","0.0856","","","","","","1.029","","","","has coordinates","303173","2025-11-05","00:36:12",""
"7251214","11.2571","0.0009","23.2434","0.0019","29.357","0.003","113.227","0.004","94.356","0.004","90.072","0.004","7034.3","1.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","N,N'-bis(9-(4-chlorophenyl)-9-thioxanthenyl)-ethylenediamine","","- C86 H67 Cl4 N5 S4 -","- C86 H67 Cl4 N5 S4 -","- C344 H268 Cl16 N20 S16 -","4","2","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric Cyriel","Chloro-containing host compounds with fused tricyclic moieties and diamino linkers: host ability and affinity behaviour in pyridine/methylpyridines","CrystEngComm","2025","","","","","10.1039/D5CE00969C","","","0.71073","MoKα","","0.0927","0.0725","","","0.1697","0.1877","","","","","","1.048","","","","has coordinates","303173","2025-11-05","00:36:30",""
"7251215","10.284","0.0004","25.5527","0.0009","7.8072","0.0003","90","","97.384","0.001","90","","2034.59","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","N,N?-Bis(9-(4-chlorophenyl)-9-xanthenyl)ethylenediamine 3-methylpyridine clathrate","","- C52 H44 Cl2 N4 O2 -","- C52 H44 Cl2 N4 O2 -","- C104 H88 Cl4 N8 O4 -","2","0.5","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric Cyriel","Chloro-containing host compounds with fused tricyclic moieties and diamino linkers: host ability and affinity behaviour in pyridine/methylpyridines","CrystEngComm","2025","","","","","10.1039/D5CE00969C","","","0.71073","MoKα","","0.0564","0.0372","","","0.0764","0.0864","","","","","","1.042","","","","has coordinates","303173","2025-11-05","00:36:41",""
"7251216","10.1122","0.0004","25.8871","0.001","7.8505","0.0003","90","","96.923","0.002","90","","2040.09","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","N,N'-Bis(9-(4-chlorophenyl)-9-xanthenyl)ethylenediamine 2-methylpyridine clathrate","","- C52 H44 Cl2 N4 O2 -","- C52 H44 Cl2 N4 O2 -","- C104 H88 Cl4 N8 O4 -","2","0.5","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric Cyriel","Chloro-containing host compounds with fused tricyclic moieties and diamino linkers: host ability and affinity behaviour in pyridine/methylpyridines","CrystEngComm","2025","","","","","10.1039/D5CE00969C","","","0.71073","MoKα","","0.0495","0.0375","","","0.085","0.0922","","","","","","1.042","","","","has coordinates","303173","2025-11-05","00:36:44",""
"7251217","10.2394","0.0004","25.2702","0.001","7.8761","0.0003","90","","97.0302","0.0014","90","","2022.63","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(9-(4-chlorophenyl)-9-xanthenyl)ethylene-diamine","","- C50 H40 Cl2 N4 O2 -","- C50 H40 Cl2 N4 O2 -","- C100 H80 Cl4 N8 O4 -","2","0.5","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric Cyriel","Chloro-containing host compounds with fused tricyclic moieties and diamino linkers: host ability and affinity behaviour in pyridine/methylpyridines","CrystEngComm","2025","","","","","10.1039/D5CE00969C","","","0.71073","MoKα","","0.0846","0.0527","","","0.0999","0.1185","","","","","","1.153","","","","has coordinates,has disorder","303173","2025-11-05","00:36:44",""
"7251218","14.8825","0.0006","11.6416","0.0004","24.0763","0.0008","90","","98.279","0.001","90","","4127.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","N,N?-Bis(9-(4-chlorophenyl)-9-xanthenyl)ethylenediamine 4-methylpyridine clathrate","","- C52 H44 Cl2 N4 O2 -","- C52 H44 Cl2 N4 O2 -","- C208 H176 Cl8 N16 O8 -","4","1","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric Cyriel","Chloro-containing host compounds with fused tricyclic moieties and diamino linkers: host ability and affinity behaviour in pyridine/methylpyridines","CrystEngComm","2025","","","","","10.1039/D5CE00969C","","","0.71073","MoKα","","0.0508","0.0373","","","0.0926","0.1013","","","","","","1.042","","","","has coordinates","303173","2025-11-05","00:36:45",""
"7251219","27.4379","0.0012","11.5895","0.0006","44.419","0.002","90","","95.0705","0.0014","90","","14069.6","1.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-bis(9-(4-chlorophenyl)-9-thioxanthenyl)-ethylenediamine","","- C86 H67 Cl4 N5 S4 -","- C86 H67 Cl4 N5 S4 -","- C688 H536 Cl32 N40 S32 -","8","2","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric Cyriel","Chloro-containing host compounds with fused tricyclic moieties and diamino linkers: host ability and affinity behaviour in pyridine/methylpyridines","CrystEngComm","2025","","","","","10.1039/D5CE00969C","","","0.71073","MoKα","","0.0826","0.0644","","","0.1714","0.1891","","","","","","1.071","","","","has coordinates,has disorder","303173","2025-11-05","00:36:46",""
"7251220","13.5803","0.0014","13.5803","0.0014","11.6172","0.0017","90","","90","","90","","2142.5","0.4","295","2","295","","","","","","","","","4","P 43","P 4cw","78","","","","- C27 H26 N2 O -","- C27 H26 N2 O -","- C108 H104 N8 O4 -","4","1","","Saha, Subhajit; Bag, Soumya Ranjan; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Jana, Chandan K.","Metal-Free Stereoselective C(sp3)-H Indolation of N-heterocycles to Potent Antimicrobial Non-Canonical Tryp-Pro Hybrids","Green Chemistry","2025","","","","","10.1039/D5GC04622J","","","0.71073","MoKα","","0.0574","0.0498","","","0.1358","0.1467","","","","","","1.093","","","","has coordinates","303181","2025-11-05","01:48:17",""
"7251221","12.203","0.003","7.0304","0.0014","12.614","0.003","90","","103.755","0.007","90","","1051.1","0.4","298","2","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","1","","Saha, Subhajit; Bag, Soumya Ranjan; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Jana, Chandan K.","Metal-Free Stereoselective C(sp3)-H Indolation of N-heterocycles to Potent Antimicrobial Non-Canonical Tryp-Pro Hybrids","Green Chemistry","2025","","","","","10.1039/D5GC04622J","","","0.71073","MoKα","","0.0547","0.0508","","","0.1203","0.1227","","","","","","1.141","","","","has coordinates","303181","2025-11-05","01:48:20",""
"7251222","10.2031","0.0011","18.048","0.002","12.5014","0.0014","90","","109.1","0.003","90","","2175.3","0.4","295.15","","295.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 -","- C28 H26 N2 -","- C112 H104 N8 -","4","1","","Saha, Subhajit; Bag, Soumya Ranjan; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Jana, Chandan K.","Metal-Free Stereoselective C(sp3)-H Indolation of N-heterocycles to Potent Antimicrobial Non-Canonical Tryp-Pro Hybrids","Green Chemistry","2025","","","","","10.1039/D5GC04622J","","","0.71073","MoKα","","0.0834","0.0634","","","0.1543","0.1709","","","","","","1.096","","","","has coordinates","303181","2025-11-05","01:48:21",""
"7251223","9.1088","0.0003","10.6818","0.0004","23.1277","0.0009","90","","95.527","0.001","90","","2239.83","0.14","299","2","299","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C112 H104 N8 O8 -","4","1","","Saha, Subhajit; Bag, Soumya Ranjan; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Jana, Chandan K.","Metal-Free Stereoselective C(sp3)-H Indolation of N-heterocycles to Potent Antimicrobial Non-Canonical Tryp-Pro Hybrids","Green Chemistry","2025","","","","","10.1039/D5GC04622J","","","0.71073","MoKα","","0.0489","0.0395","","","0.0918","0.1016","","","","","","1.095","","","","has coordinates","303181","2025-11-05","01:48:21",""
"7251224","9.8144","0.0009","8.2022","0.0007","22.949","0.002","90","","100.027","0.004","90","","1819.2","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N O -","- C26 H19 N O -","- C104 H76 N4 O4 -","4","1","","Yang, Shaoxiong; Zhu, Yanren; Pu, Enfan; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo","Linear Paired Electrolysis Enabled Dearomative [3 + 2] Cycloadditions of Indoles and Benzofurans with Vinyl Azides †","Green Chemistry","2025","","","","","10.1039/D5GC04148A","","x-ray","0.71073","MoKα","","0.1026","0.0626","","","0.1121","0.1303","","","","","","1.114","","","","has coordinates","303182","2025-11-05","01:49:17",""
"7251225","23.3054","0.0007","9.0717","0.0003","21.5229","0.0008","90","","111.995","0.001","90","","4219.2","0.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 N2 O2 -","- C27 H26 N2 O2 -","- C216 H208 N16 O16 -","8","1","","Yang, Shaoxiong; Zhu, Yanren; Pu, Enfan; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo","Linear Paired Electrolysis Enabled Dearomative [3 + 2] Cycloadditions of Indoles and Benzofurans with Vinyl Azides †","Green Chemistry","2025","","","","","10.1039/D5GC04148A","","x-ray","0.71073","MoKα","","0.0623","0.046","","","0.098","0.1073","","","","","","1.053","","","","has coordinates","303182","2025-11-05","01:49:18",""
"7251226","10.7771","0.0005","15.1534","0.0006","12.5418","0.0005","90","","105.628","0.002","90","","1972.48","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Br N2 O2 -","- C22 H23 Br N2 O2 -","- C88 H92 Br4 N8 O8 -","4","1","","Yang, Shaoxiong; Zhu, Yanren; Pu, Enfan; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo","Linear Paired Electrolysis Enabled Dearomative [3 + 2] Cycloadditions of Indoles and Benzofurans with Vinyl Azides †","Green Chemistry","2025","","","","","10.1039/D5GC04148A","","x-ray","0.71073","MoKα","","0.0378","0.0283","","","0.0598","0.0641","","","","","","1.032","","","","has coordinates","303182","2025-11-05","01:49:18",""
"7251227","18.0371","0.0007","10.3994","0.0004","17.8291","0.0006","90","","117.232","0.001","90","","2973.62","0.19","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O -","- C20 H19 N O -","- C160 H152 N8 O8 -","8","2","","Yang, Shaoxiong; Zhu, Yanren; Pu, Enfan; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo","Linear Paired Electrolysis Enabled Dearomative [3 + 2] Cycloadditions of Indoles and Benzofurans with Vinyl Azides †","Green Chemistry","2025","","","","","10.1039/D5GC04148A","","x-ray","0.71073","MoKα","","0.0691","0.0507","","","0.1077","0.1193","","","","","","1.051","","","","has coordinates","303182","2025-11-05","01:49:19",""
"7251228","14.0326","0.0006","15.3151","0.0006","15.7791","0.0006","102.979","0.003","109.334","0.004","107.627","0.004","2843.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H58 Br2 Cu2 N10 O15 -","- C54 H58 Br2 Cu2 N10 O15 -","- C108 H116 Br4 Cu4 N20 O30 -","2","1","","Kumari, Pratima; Kumar, Aman; Kataria, Ramesh; Kaushik, Navin Kumar; Ahmed, Mukhtar; Ansari, Azaj; Ekta,; Brahma, Mettle; Maruthi, Mulaka; Babu, Yangala Sudheer; Singh, Bijender; Kumar, Vinod","Synthesis, characterization and biological studies of pyrazole-linked Schiff bases and their copper(ii) complexes as potential therapeutics","RSC Advances","2025","15","50","42299","42314","10.1039/D5RA06008G","","x-ray","0.71073","MoKα","","0.1905","0.0733","","","0.1612","0.2034","","","","","","1.008","","","","has coordinates","303187","2025-11-05","04:01:28",""
"7251229","9.907","0.0003","13.111","0.0003","18.3887","0.0005","90","","90","","90","","2388.52","0.11","273.15","","273.15","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Cl F6 N2 P Ru S -","- C19 H26 Cl F6 N2 P Ru S -","- C76 H104 Cl4 F24 N8 P4 Ru4 S4 -","4","1","","Bhunya, Debasis; Datta, Riya; Maity, Ribhu; Saha, Alipe; Sen, Sujata; Brandao, Paula; Pattanayak, Satyajit; Maity, Tithi; Sarkar, Keka; Samanta, Bidhan Chandra","Design and synthesis of bioactive Ru(ii) complexes: antibacterial activity, biocompatibility and biomolecular binding","RSC Advances","2025","15","50","42573","42587","10.1039/D5RA05336F","","","0.71073","MoKα","","0.0187","0.0184","","","0.0496","0.05","","","","","","1.072","","","","has coordinates","303188","2025-11-05","04:01:49",""
"7251230","15.407","0.002","13.1276","0.0018","20.156","0.003","90","","109.181","0.004","90","","3850.4","0.9","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H56 In6 O36 P4 -","- C84 H56 In6 O36 P4 -","- C84 H56 In6 O36 P4 -","1","0.25","","Lv, Hong-Juan; Zhai, Yunhui; Qu, Yingjuan; Xue, Min; Wang, Gang; Yuan, Yang; Yuan, Wenyu","Construction of indium–organic frameworks with flu-topology for efficient acetylene separation","CrystEngComm","2025","27","47","7734","7742","10.1039/D5CE00945F","","","1.54184","CuKα","","0.0682","0.0644","","","0.1715","0.177","","","","","","1.0141","","","","has coordinates","304097","2025-12-06","22:39:27",""
"7251231","10.0673","0.0005","12.1755","0.0006","12.6195","0.0006","65.462","0.002","87.164","0.002","73.987","0.002","1348.78","0.12","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H9 Cd2 O13 -","- C17 H9 Cd2 O13 -","- C34 H18 Cd4 O26 -","2","1","","Zhao, Tian-Yi; Gao, Qian; Gao, Shu-Man; Chen, Zhen; Zhang, Wen-Jing; Fan, Wen-Jie; Liu, Hailong; Guo, Chunsheng; Zhang, Dong-Mei; Zhang, Xia","Synthesis, Structures and Cr 2 O 7 2-Fluorescent Sensing Properties of Novel Zn(Ⅱ)/Cd(Ⅱ) Metal-Organic Frameworks with Diverse N/O-Donor Ligands","CrystEngComm","2025","","","","","10.1039/D5CE00896D","","","0.71073","MoKα","","0.1103","0.0657","","","0.1865","0.2321","","","","","","1.083","","","","has coordinates,has disorder","303204","2025-11-06","00:02:52",""
"7251232","11.8343","0.0002","18.3219","0.0004","13.3714","0.0003","90","","95.26","0.001","90","","2887.07","0.1","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 Cd3 N6 O24 -","- C54 H54 Cd3 N6 O24 -","- C108 H108 Cd6 N12 O48 -","2","0.5","","Zhao, Tian-Yi; Gao, Qian; Gao, Shu-Man; Chen, Zhen; Zhang, Wen-Jing; Fan, Wen-Jie; Liu, Hailong; Guo, Chunsheng; Zhang, Dong-Mei; Zhang, Xia","Synthesis, Structures and Cr 2 O 7 2-Fluorescent Sensing Properties of Novel Zn(Ⅱ)/Cd(Ⅱ) Metal-Organic Frameworks with Diverse N/O-Donor Ligands","CrystEngComm","2025","","","","","10.1039/D5CE00896D","","","0.71073","MoKα","","0.047","0.034","","","0.072","0.0804","","","","","","1.058","","","","has coordinates,has disorder","303204","2025-11-06","00:03:02",""
"7251233","27.672","0.002","10.6034","0.0006","24.2857","0.0016","90","","123.232","0.002","90","","5960.5","0.7","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H44 N10 O16 Zn3 -","- C64 H44 N10 O16 Zn3 -","- C256 H176 N40 O64 Zn12 -","4","0.5","","Zhao, Tian-Yi; Gao, Qian; Gao, Shu-Man; Chen, Zhen; Zhang, Wen-Jing; Fan, Wen-Jie; Liu, Hailong; Guo, Chunsheng; Zhang, Dong-Mei; Zhang, Xia","Synthesis, Structures and Cr 2 O 7 2-Fluorescent Sensing Properties of Novel Zn(Ⅱ)/Cd(Ⅱ) Metal-Organic Frameworks with Diverse N/O-Donor Ligands","CrystEngComm","2025","","","","","10.1039/D5CE00896D","","","0.71073","MoKα","","0.1084","0.0542","","","0.0934","0.1159","","","","","","1.055","","","","has coordinates","303204","2025-11-06","00:03:03",""
"7251234","29.269","0.003","9.8306","0.001","22.037","0.002","90","","116.089","0.003","90","","5694.7","1","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 N10 O16 Zn3 -","- C56 H44 N10 O16 Zn3 -","- C224 H176 N40 O64 Zn12 -","4","0.5","","Zhao, Tian-Yi; Gao, Qian; Gao, Shu-Man; Chen, Zhen; Zhang, Wen-Jing; Fan, Wen-Jie; Liu, Hailong; Guo, Chunsheng; Zhang, Dong-Mei; Zhang, Xia","Synthesis, Structures and Cr 2 O 7 2-Fluorescent Sensing Properties of Novel Zn(Ⅱ)/Cd(Ⅱ) Metal-Organic Frameworks with Diverse N/O-Donor Ligands","CrystEngComm","2025","","","","","10.1039/D5CE00896D","","","0.71073","MoKα","","0.0882","0.0653","","","0.1617","0.1807","","","","","","1.04","","","","has coordinates","303204","2025-11-06","00:03:04",""
"7251235","18.791","0.003","16.407","0.002","8.6453","0.0015","90","","90","","90","","2665.4","0.7","283.15","","283.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C112 H128 N24 O24 -","- C112 H128 N24 O24 -","- C112 H128 N24 O24 -","1","0.25","","Dosanjh, Ramandeep; Patterson, Adam; Harris, Joe; Wilson, Claire; Gutmann, Matthias J.; Collier, Paul; Hyde, Tim; Johnson, Timothy; York, Andy; Parker, Stewart F.; Lennon, David","Spectroscopic investigations of a pharmaceutical solid form analogue: pyrimethanil L-tartrate hemi-cocrystal","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP02802G","","","0.71075","neutrons","","0.1005","0.0957","","","0.2279","0.2343","","","","","","1.045","","","","has coordinates,has disorder","303222","2025-11-07","02:37:21",""
"7251236","16.6004","0.0007","18.6805","0.0008","8.7346","0.0004","90","","90","","90","","2708.6","0.2","150","","150","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H32 N6 O6 -","- C28 H32 N6 O6 -","- C112 H128 N24 O24 -","4","1","","Dosanjh, Ramandeep; Patterson, Adam; Harris, Joe; Wilson, Claire; Gutmann, Matthias J.; Collier, Paul; Hyde, Tim; Johnson, Timothy; York, Andy; Parker, Stewart F.; Lennon, David","Spectroscopic investigations of a pharmaceutical solid form analogue: pyrimethanil L-tartrate hemi-cocrystal","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP02802G","","","1.54178","CuKα","","0.0302","0.0285","","","0.0765","0.0782","","","","","","1.073","","","","has coordinates,has disorder","303222","2025-11-07","02:37:22",""
"7251237","4.8568","0.0002","7.9049","0.0003","18.9454","0.0009","79.632","0.002","87.383","0.002","77.432","0.001","698.33","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N19 O14 -","- C16 H25 N19 O14 -","- C16 H25 N19 O14 -","1","0.5","","Jiang, Xiue; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua","Synthesis of Energetic Materials Derived from Hydroxynitropyrazine","CrystEngComm","2025","","","","","10.1039/D5CE01009H","","","0.71073","MoKα","","0.0782","0.0517","","","0.123","0.1411","","","","","","1.058","","","","has coordinates,has disorder","303228","2025-11-07","23:58:20",""
"7251238","7.8258","0.0019","8.446","0.002","10.152","0.002","90.324","0.008","100.963","0.008","116.811","0.007","584.7","0.2","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H9 Li N4 Na O11 -","- C4 H8 Li N4 Na O11 -","- C8 H16 Li2 N8 Na2 O22 -","2","1","","Jiang, Xiue; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua","Synthesis of Energetic Materials Derived from Hydroxynitropyrazine","CrystEngComm","2025","","","","","10.1039/D5CE01009H","","","0.71073","MoKα","","0.1673","0.0932","","","0.2328","0.3104","","","","","","1.053","","","","has coordinates","303228","2025-11-07","23:58:21",""
"7251239","8.3085","0.0003","16.2606","0.0005","18.1267","0.0007","73.099","0.001","88.41","0.001","86.483","0.001","2338.63","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 K9 N20 O38 -","- C20 H9 K9 N20 O35 -","- C40 H18 K18 N40 O70 -","2","1","","Jiang, Xiue; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua","Synthesis of Energetic Materials Derived from Hydroxynitropyrazine","CrystEngComm","2025","","","","","10.1039/D5CE01009H","","x-ray","0.71073","MoKα","","0.0698","0.0558","","","0.1338","0.1453","","","","","","1.037","","","","has coordinates","303228","2025-11-07","23:58:22",""
"7251240","35.6136","0.0012","7.6852","0.0003","9.4614","0.0003","90","","90","","90","","2589.56","0.16","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H20 B2 Cl2 F8 N2 -","- C24 H20 B2 Cl2 F8 N2 -","- C96 H80 B8 Cl8 F32 N8 -","4","0.5","","Parashar, Ranjeev Kumar; Kandpal, Suchita; Kamal, Aditya; Bansal, Love; Gupta, Kirti; Kumar, Rajesh; Mondal, Prakash Chandra","Exploring the Roles of Counterions in Redox-active Viologen on Electrochromic Performance","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP02803E","","x-ray","0.71073","MoKα","","0.0407","0.0344","","","0.0928","0.0992","","","","","","1.045","","","","has coordinates","303231","2025-11-08","02:31:34",""
"7251241","27.2732","0.0013","10.8116","0.0004","14.096","0.0006","90","","113.345","0.002","90","","3816.2","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cl2 F12 N4 O8 S4 -","- C28 H20 Cl2 F12 N4 O8 S4 -","- C112 H80 Cl8 F48 N16 O32 S16 -","4","0.5","","Parashar, Ranjeev Kumar; Kandpal, Suchita; Kamal, Aditya; Bansal, Love; Gupta, Kirti; Kumar, Rajesh; Mondal, Prakash Chandra","Exploring the Roles of Counterions in Redox-active Viologen on Electrochromic Performance","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP02803E","","x-ray","0.71073","MoKα","","0.0496","0.0434","","","0.1069","0.1122","","","","","","1.039","","","","has coordinates","303231","2025-11-08","02:31:35",""
"7251242","9.2172","0.0003","9.4319","0.0005","17.52","0.0006","76.18","0.003","86.065","0.002","60.771","0.002","1288.63","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cl4.07 N2 O8.87 -","- C24 H20 Cl4.066 N2 O8.861 -","- C48 H40 Cl8.132 N4 O17.722 -","2","1","","Parashar, Ranjeev Kumar; Kandpal, Suchita; Kamal, Aditya; Bansal, Love; Gupta, Kirti; Kumar, Rajesh; Mondal, Prakash Chandra","Exploring the Roles of Counterions in Redox-active Viologen on Electrochromic Performance","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP02803E","","x-ray","0.71073","MoKα","","0.0802","0.0721","","","0.1984","0.2051","","","","","","1.049","","","","has coordinates,has disorder","303231","2025-11-08","02:31:35",""
"7251243","6.6637","0.0005","19.2509","0.0012","22.2228","0.0016","90","","95.852","0.002","90","","2835.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","AA185","","","- C25 H43 Cl P2 Se -","- C25 H43 Cl P2 Se -","- C100 H172 Cl4 P8 Se4 -","4","1","","Aghion, Iulia-Andreea; Septelean, Raluca A.; Lucaci, David; Moraru, Ionut-Tudor; Soran, Albert P.; Ciocan, Catalin C.; Licarete, Emilia; Banciu, Manuela; Nemes, Gabriela","Synthesis and coordination ability of the first phosphavinyl(selenoxo)phosphorane: an electronic story","RSC Advances","2025","15","51","43426","43435","10.1039/D5RA05176B","","x-ray","0.71073","MoKα","","0.0452","0.0371","","","0.0807","0.0855","","","","","","1.041","","","","has coordinates,has disorder","303232","2025-11-08","02:55:58",""
"7251244","9.6344","0.0004","13.6183","0.0007","25.1598","0.001","90","","90","","90","","3301.1","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","RS293","","","- C26 H45 Cl5 P2 Pd Se -","- C26 H45 Cl5 P2 Pd Se -","- C104 H180 Cl20 P8 Pd4 Se4 -","4","0.5","","Aghion, Iulia-Andreea; Septelean, Raluca A.; Lucaci, David; Moraru, Ionut-Tudor; Soran, Albert P.; Ciocan, Catalin C.; Licarete, Emilia; Banciu, Manuela; Nemes, Gabriela","Synthesis and coordination ability of the first phosphavinyl(selenoxo)phosphorane: an electronic story","RSC Advances","2025","15","51","43426","43435","10.1039/D5RA05176B","","x-ray","0.71073","MoKα","","0.0249","0.0231","","","0.0544","0.0557","","","","","","1.079","","","","has coordinates,has disorder","303232","2025-11-08","02:55:59",""
"7251245","9.5132","0.0002","9.5132","0.0002","39.0933","0.0015","90","","90","","120","","3063.98","0.15","293","2","293","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C21 H21 N3 O5 -","- C21 H21 N3 O5 -","- C126 H126 N18 O30 -","6","1","","Zhang, Guangshuai; Chen, Xin; Liu, Yan; Peng, Rui; Xu, Mengwei; Yan, Si; Xiao, Jin; Liu, Zishu; Min, Qing; Liao, Gang; Wang, Xiaoji; Qin, Shuanglin","NaHMDS/B(C6F5)3-promoted diastereoselective Friedel–Crafts alkylation of indoles/pyrroles with N-tert-butanesulfinylimines: towards the asymmetric synthesis of bisindole alkaloid Calcicamide B","RSC Advances","2025","15","51","43421","43425","10.1039/D5RA06138E","","x-ray","1.54184","CuKα","","0.0662","0.0496","","","0.1253","0.1435","","","","","","1.053","","","","has coordinates,has disorder","303233","2025-11-08","02:56:19",""
"7251246","7.5699","0.0003","9.652","0.0003","11.5436","0.0006","76.552","0.002","86.66","0.002","84.383","0.001","815.82","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 Bi2 I8 N4 O -","- C17 H18 Bi2 I8 N4 O -","- C17 H18 Bi2 I8 N4 O -","1","0.5","","Hrizi, Chakib; Hamdouni, Monia; Essid, Marwa; Nouiri, Mourad; Khatyr, Abderrahim; Knorr, Michael; Viau, Lydie; Schmidt, Annika; Strohmann, Carsten; Chaabouni, Slaheddine","Extending lead-free organic–inorganic semiconducting materials to new polymeric structures: 2,2′-bipyridinium iodoantimonate and quinoxalinium iodobismuthate","RSC Advances","2025","15","51","43523","43541","10.1039/D5RA06189J","","x-ray","0.71073","MoKα","","0.0222","0.0205","","","0.0465","0.0476","","","","","","1.058","","","","has coordinates,has disorder","303234","2025-11-08","02:56:37",""
"7251247","12.2685","0.0004","18.2626","0.0006","7.5924","0.0003","90","","91.864","0.001","90","","1700.21","0.1","100.01","","100.01","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H9 I4 N2 Sb -","- C10 H9 I4 N2 Sb -","- C40 H36 I16 N8 Sb4 -","4","1","","Hrizi, Chakib; Hamdouni, Monia; Essid, Marwa; Nouiri, Mourad; Khatyr, Abderrahim; Knorr, Michael; Viau, Lydie; Schmidt, Annika; Strohmann, Carsten; Chaabouni, Slaheddine","Extending lead-free organic–inorganic semiconducting materials to new polymeric structures: 2,2′-bipyridinium iodoantimonate and quinoxalinium iodobismuthate","RSC Advances","2025","15","51","43523","43541","10.1039/D5RA06189J","","x-ray","0.71073","MoKα","","0.0146","0.0134","","","0.0281","0.0284","","","","","","1.11","","","","has coordinates","303234","2025-11-08","02:56:38",""
"7251248","10.4631","0.00001","10.4631","0.00001","37.42078","0.00006","90","","90","","120","","3547.84","0.007","293","1","293","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Ca8.61Cd0.69La0.82(PO4)7","Ca8CdLa(PO4)7","","- Ca8.61 Cd0.69 La0.82 O28 P7 -","- Ca8.614 Cd0.692 La0.822 O28 P7 -","- Ca51.684 Cd4.152 La4.932 O168 P42 -","6","0.333333","","Sipina, Elena V.; Zhukovskaya, Evgeniya S.; Morozov, Vladimir A.; Stefanovich, Sergey; Grebenev, Vadim; Belik, Alexei A.; Lazoryak, Bogdan; Deyneko, Dina V.","β-Ca3(PO4)2 -related structure and dielectric properties of Ca8CdLa(PO4)7","CrystEngComm","2025","","","","","10.1039/D5CE00787A","powder diffraction","x-ray","0.65297","synchrotron","","0.0358","0.0351","","0.0435","0.0434","","","","3.37","","","","","","","has coordinates","303236","2025-11-08","23:34:49",""
"7251249","11.834","0.002","29.952","0.005","12.453","0.002","90","","114.598","0.003","90","","4013.4","1.2","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C54 H124 Co2 Cu3 N24 O14 -","- C54 H123.996 Co2 Cu3 N24 O13.999 -","- C108 H247.992 Co4 Cu6 N48 O27.998 -","2","0.5","","Zhang, Yang-Lu; Cai, Meng-Tan; Chen, Yi; Shen, Fuxing; Yang, Jiong; Zhu, Junlun; Shao, Dong","Magnetic and electrical properties of a cyanide-bridged CoCu₃ cluster featuring square pyramidal Cu(II) centers","CrystEngComm","2025","","","","","10.1039/D5CE00957J","","x-ray","0.71073","MoKα","","0.0799","0.0577","","","0.1474","0.1607","","","","","","1.033","","","","has coordinates,has disorder","303237","2025-11-08","23:35:14",""
"7251250","7.4735","0.0005","9.0284","0.0005","14.908","0.001","99.521","0.005","91.777","0.005","107.572","0.005","942.24","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Cl N4 O4 -","- C19 H19 Cl N4 O4 -","- C38 H38 Cl2 N8 O8 -","2","1","","Kedra, Karolina; Dąbrowa, Kajetan; Gajek, Arkadiusz; CEBORSKA, MAGDALENA","Novel pyrimethamine salts with isomeric dihydroxybenzoic acids: crystallization and characterization","CrystEngComm","2025","","","","","10.1039/D5CE00966A","","","1.54184","CuKα","","0.0416","0.0388","","","0.1052","0.1081","","","","","","1.047","","","","has coordinates","303238","2025-11-08","23:35:49",""
"7251251","7.3072","0.0003","11.7178","0.0006","13.0913","0.0004","99.716","0.004","95.622","0.003","105.755","0.004","1051.06","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 B0 Cl N4 O5 -","- C20 H23 Cl N4 O5 -","- C40 H46 Cl2 N8 O10 -","2","1","","Kedra, Karolina; Dąbrowa, Kajetan; Gajek, Arkadiusz; CEBORSKA, MAGDALENA","Novel pyrimethamine salts with isomeric dihydroxybenzoic acids: crystallization and characterization","CrystEngComm","2025","","","","","10.1039/D5CE00966A","","","1.54184","CuKα","","0.0449","0.0416","","","0.1193","0.1226","","","","","","1.038","","","","has coordinates","303238","2025-11-08","23:35:49",""
"7251252","8.6158","0.0005","10.2919","0.0005","11.9567","0.0007","70.718","0.005","78.374","0.005","80.575","0.004","974.8","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Cl N4 O5 -","- C19 H21 Cl N4 O5 -","- C38 H42 Cl2 N8 O10 -","2","1","","Kedra, Karolina; Dąbrowa, Kajetan; Gajek, Arkadiusz; CEBORSKA, MAGDALENA","Novel pyrimethamine salts with isomeric dihydroxybenzoic acids: crystallization and characterization","CrystEngComm","2025","","","","","10.1039/D5CE00966A","","","1.54184","CuKα","","0.0412","0.0396","","","0.11","0.1116","","","","","","1.053","","","","has coordinates","303238","2025-11-08","23:35:50",""
"7251253","9.2777","0.0004","14.0027","0.0005","16.4264","0.0006","78.593","0.003","80.51","0.003","85.005","0.003","2059.94","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H44 Cl2 N8 O9 -","- C40 H44 Cl2 N8 O9 -","- C80 H88 Cl4 N16 O18 -","2","1","","Kedra, Karolina; Dąbrowa, Kajetan; Gajek, Arkadiusz; CEBORSKA, MAGDALENA","Novel pyrimethamine salts with isomeric dihydroxybenzoic acids: crystallization and characterization","CrystEngComm","2025","","","","","10.1039/D5CE00966A","","","1.54184","CuKα","","0.0488","0.0439","","","0.1181","0.1235","","","","","","1.025","","","","has coordinates,has disorder","303238","2025-11-08","23:35:50",""
"7251254","9.1569","0.0002","22.3534","0.0004","9.6077","0.0002","90","","109.638","0.002","90","","1852.19","0.07","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F6 N O -","- C21 H17 F6 N O -","- C84 H68 F24 N4 O4 -","4","1","","Wang, Bin; Li, Zekun; Cao, Hua","Rearrangement-driven divergent synthesis: a metal-free tandem annulation for CF3-functionalized 1-(aminomethyl)naphthalen-2-ols and 1-(2-naphthyl)azetidines","Green Chemistry","2025","27","47","15074","15080","10.1039/D5GC05046D","","x-ray","1.54184","CuKα","","0.0514","0.0472","","","0.1317","0.1366","","","","","","1.046","","","","has coordinates","304113","2025-12-07","06:23:56",""
"7251255","9.5424","0.0005","19.5291","0.0008","10.0245","0.0005","90","","111.692","0.005","90","","1735.82","0.16","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 F3 N O -","- C21 H20 F3 N O -","- C84 H80 F12 N4 O4 -","4","1","","Wang, Bin; Li, Zekun; Cao, Hua","Rearrangement-driven divergent synthesis: a metal-free tandem annulation for CF3-functionalized 1-(aminomethyl)naphthalen-2-ols and 1-(2-naphthyl)azetidines","Green Chemistry","2025","27","47","15074","15080","10.1039/D5GC05046D","","x-ray","1.54184","CuKα","","0.0684","0.0552","","","0.144","0.1601","","","","","","1.022","","","","has coordinates","304113","2025-12-07","06:24:14",""
"7251256","5.49673","0.00014","20.9321","0.0005","23.4394","0.0005","90","","92.345","0.002","90","","2694.63","0.11","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F3 N O2 -","- C15 H14 F3 N O2 -","- C120 H112 F24 N8 O16 -","8","2","","Wang, Bin; Li, Zekun; Cao, Hua","Rearrangement-driven divergent synthesis: a metal-free tandem annulation for CF3-functionalized 1-(aminomethyl)naphthalen-2-ols and 1-(2-naphthyl)azetidines","Green Chemistry","2025","27","47","15074","15080","10.1039/D5GC05046D","","x-ray","1.54184","CuKα","","0.0539","0.049","","","0.1381","0.1421","","","","","","1.084","","","","has coordinates,has disorder","304113","2025-12-07","06:24:14",""
"7251257","7.7152","0.0002","7.9573","0.0001","14.2571","0.0003","91.217","0.001","104.774","0.001","97.6","0.001","837.52","0.03","102","","102","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 N4 Ni O4.17 -","- C17 H16 N4 Ni O4.166 -","- C34 H32 N8 Ni2 O8.332 -","2","1","","Zaworotko, Michael; Singh, Bharti; He, Tao","Crystal engineering of Nickel(II) coordination networks sustained by aliphatic dicarboxylate linker ligands","CrystEngComm","2025","","","","","10.1039/D5CE00918A","","","0.71073","MoKα","","0.0337","0.0281","","","0.0618","0.0648","","","","","","1.041","","","","has coordinates","303241","2025-11-09","23:34:46",""
"7251258","9.225","0.0002","9.566","0.0002","11.7477","0.0003","70.798","0.001","79.692","0.001","75.831","0.001","943.73","0.04","101","","101","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N3 Ni O6 -","- C19 H18 N3 Ni O6 -","- C38 H36 N6 Ni2 O12 -","2","1","","Zaworotko, Michael; Singh, Bharti; He, Tao","Crystal engineering of Nickel(II) coordination networks sustained by aliphatic dicarboxylate linker ligands","CrystEngComm","2025","","","","","10.1039/D5CE00918A","","","0.71073","MoKα","","0.04","0.0336","","","0.0821","0.0861","","","","","","1.058","","","","has coordinates","303241","2025-11-09","23:34:47",""
"7251259","5.2255","0.0002","9.0139","0.0003","11.0579","0.0003","108.563","0.001","94.7","0.001","104.557","0.001","470.4","0.03","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 N4 Ni O6 -","- C18 H22 N4 Ni O6 -","- C18 H22 N4 Ni O6 -","1","0.5","","Zaworotko, Michael; Singh, Bharti; He, Tao","Crystal engineering of Nickel(II) coordination networks sustained by aliphatic dicarboxylate linker ligands","CrystEngComm","2025","","","","","10.1039/D5CE00918A","","","0.71073","MoKα","","0.0197","0.0192","","","0.044","0.0441","","","","","","1.148","","","","has coordinates","303241","2025-11-09","23:34:47",""
"7251260","9.2371","0.0008","13.0112","0.0012","14.2113","0.0013","115.986","0.003","93.532","0.003","108.249","0.003","1418","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20.4 N10 O2.2 S2 Zn -","- C28 H20 N10 O2 S2 Zn -","- C56 H40 N20 O4 S4 Zn2 -","2","1","","Anisimov, Aleksei A.; Bovkunova, Anna; Dubasova, Ekaterina V.; Gontcharenko , Victoria E.; Taydakov, Ilya V.; Bazhina, Evgeniya S.; Eremenko, Igor Leonidovich; Ananyev, Ivan V.","Metal Coordination-Driven Photochromism in Schiff bases incorporating 1,2,4-triazole and hydroxyphenyl moieties","CrystEngComm","2025","","","","","10.1039/D5CE00934K","","","0.71073","MoKα","","0.0944","0.0536","","","0.12","0.1361","","","","","","1.042","","","","has coordinates","303266","2025-11-11","23:47:45",""
"7251261","6.3811","0.0006","13.3652","0.0013","15.4291","0.0015","114.694","0.005","90.702","0.005","101.967","0.005","1162.3","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl2 N8 O4 Zn -","- C20 H20 Cl2 N8 O4 Zn -","- C40 H40 Cl4 N16 O8 Zn2 -","2","1","","Anisimov, Aleksei A.; Bovkunova, Anna; Dubasova, Ekaterina V.; Gontcharenko , Victoria E.; Taydakov, Ilya V.; Bazhina, Evgeniya S.; Eremenko, Igor Leonidovich; Ananyev, Ivan V.","Metal Coordination-Driven Photochromism in Schiff bases incorporating 1,2,4-triazole and hydroxyphenyl moieties","CrystEngComm","2025","","","","","10.1039/D5CE00934K","","","0.71073","MoKα","","0.0859","0.0569","","","0.1452","0.1558","","","","","","1.05","","","","has coordinates","303266","2025-11-11","23:47:46",""
"7251262","26.234","0.006","6.6881","0.0017","7.4495","0.0019","90","","95.128","0.008","90","","1301.8","0.6","120","2","120.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H20 N10 O4 S2 Zn -","- C22 H20 N10 O4 S2 Zn -","- C44 H40 N20 O8 S4 Zn2 -","2","0.5","","Anisimov, Aleksei A.; Bovkunova, Anna; Dubasova, Ekaterina V.; Gontcharenko , Victoria E.; Taydakov, Ilya V.; Bazhina, Evgeniya S.; Eremenko, Igor Leonidovich; Ananyev, Ivan V.","Metal Coordination-Driven Photochromism in Schiff bases incorporating 1,2,4-triazole and hydroxyphenyl moieties","CrystEngComm","2025","","","","","10.1039/D5CE00934K","","","0.71073","MoKα","","0.0829","0.0422","","","0.0713","0.0789","","","","","","0.897","","","","has coordinates","303266","2025-11-11","23:47:47",""
"7251263","16.4484","0.0006","18.2904","0.0008","32.9756","0.0013","82.175","0.001","89.595","0.001","67.909","0.001","9096.2","0.6","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","Au13dppeF3Cl6 PPh4 DCM/Hex","","","- C127 H70 Au13 Cl8 F72 P7 -","- C127 H70 Au13 Cl8 F72 P7 -","- C254 H140 Au26 Cl16 F144 P14 -","2","1","","Wu, Shen; Tsukuda, Tatsuya; Takano, Shinjiro","An icosahedral Au13 nanocluster with three adjacent chlorides on opposite poles catalyses hydroamination of phenylacetylene","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP03444B","","x-ray","0.71073","MoKα","","0.0579","0.0461","","","0.1087","0.1141","","","","","","1.041","","","","has coordinates","303276","2025-11-12","02:27:56",""
"7251264","16.5165","0.0012","18.4289","0.0013","32.773","0.002","82.0364","0.0016","88.9806","0.0016","67.5128","0.0015","9121.3","1.1","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","Au13dppeF3Br6 PPh4 DCM-EtOH/Hex at room temp","","","- C126 H68 Au13 Br6 F72 P7 -","- C126 H68 Au13 Br6 F72 P7 -","- C252 H136 Au26 Br12 F144 P14 -","2","1","","Wu, Shen; Tsukuda, Tatsuya; Takano, Shinjiro","An icosahedral Au13 nanocluster with three adjacent chlorides on opposite poles catalyses hydroamination of phenylacetylene","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP03444B","","x-ray","0.71073","MoKα","","0.0627","0.0475","","","0.1106","0.1198","","","","","","1.017","","","","has coordinates","303276","2025-11-12","02:27:58",""
"7251265","19.2272","0.0016","31.163","0.003","32.096","0.003","82.1696","0.0016","87.1604","0.0016","78.7233","0.0016","18679","3","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","Au13dppeF3I6 PPh4 DCM-EtOH/Hex rt","","","- C128.5 H73 Au13 Cl5 F72 I6 P7 -","- C128.5 H73 Au13 Cl5 F72 I6 P7 -","- C514 H292 Au52 Cl20 F288 I24 P28 -","4","2","","Wu, Shen; Tsukuda, Tatsuya; Takano, Shinjiro","An icosahedral Au13 nanocluster with three adjacent chlorides on opposite poles catalyses hydroamination of phenylacetylene","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP03444B","","x-ray","0.71073","MoKα","","0.1102","0.0759","","","0.168","0.1937","","","","","","1.015","","","","has coordinates","303276","2025-11-12","02:28:01",""
"7251266","19.6028","0.0019","6.5055","0.0006","25.387","0.002","90","","90","","90","","3237.5","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H15 I N2 O4 -","- C14 H15 I N2 O4 -","- C112 H120 I8 N16 O32 -","8","1","","Yu, Cong; Wang, Liwei; Bu, Xiaotong; Liao, Hui; Gao, Meng","Direct Electrocatalytic O-O Coupling for Modular Synthesis of Aza-cyclic Peroxides from Paired Oxygen Donors","Green Chemistry","2025","","","","","10.1039/D5GC04553C","","x-ray","1.54184","CuKα","","0.1062","0.0977","","","0.2722","0.291","","","","","","1.106","","","","has coordinates","303288","2025-11-13","00:45:03",""
"7251267","12.055","0.0003","7.2431","0.0001","18.7813","0.0005","90","","104.353","0.002","90","","1588.71","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 B N2 O4 -","- C1.86667 H2.53333 B0.133333 N0.266667 O0.533333 -","- C56 H76 B4 N8 O16 -","30","7.5","","Yu, Cong; Wang, Liwei; Bu, Xiaotong; Liao, Hui; Gao, Meng","Direct Electrocatalytic O-O Coupling for Modular Synthesis of Aza-cyclic Peroxides from Paired Oxygen Donors","Green Chemistry","2025","","","","","10.1039/D5GC04553C","","x-ray","1.54184","CuKα","","0.1252","0.1144","","","0.3687","0.391","","","","","","1.709","","","","has coordinates","303288","2025-11-13","00:45:13",""
"7251268","9.45","0.08","15.87","0.09","16.42","0.15","90","","90","","90","","2463","3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C5 H12 Cl2 La N O7 -","- C5 H12 Cl2 La N O7 -","- C40 H96 Cl16 La8 N8 O56 -","8","1","","Celik, Ecem; LeMagueres, Pierre; Reinheimer, Eric W.; Carter, Korey Prescott; Forbes, Tori","Mechanochemical Synthesis and Micro-Electron Diffraction Analysis of Rare Earth-Aminopolycarboxylate Coordination Compounds","CrystEngComm","2025","","","","","10.1039/D5CE00935A","","electron","0.0251","transmissionelectronmicroscope","","0.229","0.203","","","0.4412","0.4491","","","","","","2.23","","","","has coordinates","303371","2025-11-25","11:40:38",""
"7251269","6.62","0.08","14.49","0.09","25.63","0.15","90","","90","","90","","2459","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H14 La N2 O9 -","- C10 H14 La N2 O9 -","- C80 H112 La8 N16 O72 -","8","1","","Celik, Ecem; LeMagueres, Pierre; Reinheimer, Eric W.; Carter, Korey Prescott; Forbes, Tori","Mechanochemical Synthesis and Micro-Electron Diffraction Analysis of Rare Earth-Aminopolycarboxylate Coordination Compounds","CrystEngComm","2025","","","","","10.1039/D5CE00935A","","electron","0.0251","transmissionelectronmicroscope","","0.2103","0.1943","","","0.4124","0.4159","","","","","","2.587","","","","has coordinates","303371","2025-11-25","11:40:40",""
"7251270","9.9469","0.0004","15.0114","0.0006","15.5126","0.0006","71.776","0.001","88.392","0.001","81.732","0.002","2176.89","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H38 B2 Cu F8 N12 O2 -","- C38 H38 B2 Cu F8 N12 O2 -","- C76 H76 B4 Cu2 F16 N24 O4 -","2","1","","Guelfi, Massimo; Taddei, Marco; Bresciani, Giulio","Stepwise single-crystal-to-single-crystal phase transition in copper-based coordination polymers triggered by solvent release","CrystEngComm","2025","","","","","10.1039/D5CE00919G","","","0.71073","MoKα","","0.0471","0.0413","","","0.119","0.1247","","","","","","1.071","","","","has coordinates","303372","2025-11-25","11:41:19",""
"7251271","7.5279","0.0003","10.0007","0.0004","15.0093","0.0005","87.693","0.001","80.356","0.001","82.071","0.001","1103.18","0.07","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H38 B2 Cu F8 N12 O2 -","- C38 H38 B2 Cu F8 N12 O2 -","- C38 H38 B2 Cu F8 N12 O2 -","1","0.5","","Guelfi, Massimo; Taddei, Marco; Bresciani, Giulio","Stepwise single-crystal-to-single-crystal phase transition in copper-based coordination polymers triggered by solvent release","CrystEngComm","2025","","","","","10.1039/D5CE00919G","","","0.71073","MoKα","","0.0574","0.0561","","","0.1663","0.1676","","","","","","1.048","","","","has coordinates,has disorder","303372","2025-11-25","11:41:21",""
"7251272","7.7551","0.0004","10.0259","0.0005","12.7358","0.0006","84.026","0.002","84.231","0.002","84.57","0.002","976.32","0.08","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 B2 Cu F8 N12 -","- C36 H30 B2 Cu F8 N12 -","- C36 H30 B2 Cu F8 N12 -","1","0.5","","Guelfi, Massimo; Taddei, Marco; Bresciani, Giulio","Stepwise single-crystal-to-single-crystal phase transition in copper-based coordination polymers triggered by solvent release","CrystEngComm","2025","","","","","10.1039/D5CE00919G","","","0.71073","MoKα","","0.0759","0.064","","","0.1902","0.203","","","","","","1.067","","","","has coordinates,has disorder","303372","2025-11-25","11:41:22",""
"7251273","7.7119","0.0007","9.8289","0.0009","27.118","0.003","94.875","0.004","94.077","0.004","97.335","0.003","2024.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H34 B2 Cu F8 N12 O -","- C37 H34 B2 Cu F8 N12 O -","- C74 H68 B4 Cu2 F16 N24 O2 -","2","1","","Guelfi, Massimo; Taddei, Marco; Bresciani, Giulio","Stepwise single-crystal-to-single-crystal phase transition in copper-based coordination polymers triggered by solvent release","CrystEngComm","2025","","","","","10.1039/D5CE00919G","","","0.71073","MoKα","","0.0944","0.0917","","","0.2097","0.2108","","","","","","1.212","","","","has coordinates,has disorder","303372","2025-11-25","11:41:22",""
"7251274","15.028","0.0007","17.2493","0.0008","23.372","0.0012","92.648","0.002","99.053","0.002","114.473","0.002","5403.6","0.5","170","","170","","","","","","","","","8","P -1","-P 1","2","CCoGeNNaNbO","{Co9(Ge4Nb16)2}","","- C40 H Co9 Ge8 N40 Na2 Nb32 O138 -","- C40 H172 Co9 Ge8 N40 Na2 Nb32 O138 -","- C40 H172 Co9 Ge8 N40 Na2 Nb32 O138 -","1","0.5","","Jin, Xinrong; Li, Jin-Yang; Wang, Yong-Jiang; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Boosting alkaline hydrogen evolution via cobalt functionalization of organic-inorganic hybrid germanoniobate electrocatalysts","CrystEngComm","2025","","","","","10.1039/D5CE00954E","","","0.71073","MoKα","","0.0426","0.0359","","","0.094","0.0984","","","","","","1.029","","","","has coordinates","303373","2025-11-25","11:41:53",""
"7251275","13.8461","0.0009","14.2158","0.001","21.6549","0.0015","90.428","0.002","99.138","0.002","98.546","0.002","4159.5","0.5","170","","170","","","","","","","","","7","P -1","-P 1","2","CGeNNaNbO","{Ge4Nb16}","","- C10 H49 Ge4 N10 Na4 Nb16 O71 -","- C10 H49 Ge4 N10 Na4 Nb16 O71 -","- C20 H98 Ge8 N20 Na8 Nb32 O142 -","2","1","","Jin, Xinrong; Li, Jin-Yang; Wang, Yong-Jiang; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Boosting alkaline hydrogen evolution via cobalt functionalization of organic-inorganic hybrid germanoniobate electrocatalysts","CrystEngComm","2025","","","","","10.1039/D5CE00954E","","","0.71073","MoKα","","0.0377","0.033","","","0.0815","0.0838","","","","","","1.028","","","","has coordinates,has disorder","303373","2025-11-25","11:41:54",""
"7251276","14.4809","0.0013","14.4809","0.0013","31.006","0.003","90","","90","","120","","5630.8","0.9","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H52 Ag6 Co2 I11 N13 -","- C60 H52.0008 Ag6 Co2 I11 N13 -","- C180 H156.002 Ag18 Co6 I33 N39 -","3","0.166667","","Xie, Shu-Yue; Liu, Ming-Hui; Wang, Ning; Zhang, Xi-Meng; Wang, Shen-Hao; Yang, Yan; Li, Jun; Zhang, Bo","Two semiconductive haloargentates with metal-complex cations: Crystal structures, band gaps, photocurrent responses and theoretical investigations","CrystEngComm","2025","","","","","10.1039/D5CE00975H","","","0.71073","MoKα","","0.0812","0.045","","","0.0945","0.1073","","","","","","1.007","","","","has coordinates","303374","2025-11-25","11:43:18",""
"7251277","14.0354","0.0011","14.0354","0.0011","30.393","0.002","90","","90","","120","","5185.1","0.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H52 Ag6 Br11 N13 Ni2 -","- C60 H52.0008 Ag6 Br11 N13 Ni2 -","- C180 H156.002 Ag18 Br33 N39 Ni6 -","3","0.166667","","Xie, Shu-Yue; Liu, Ming-Hui; Wang, Ning; Zhang, Xi-Meng; Wang, Shen-Hao; Yang, Yan; Li, Jun; Zhang, Bo","Two semiconductive haloargentates with metal-complex cations: Crystal structures, band gaps, photocurrent responses and theoretical investigations","CrystEngComm","2025","","","","","10.1039/D5CE00975H","","","0.71073","MoKα","","0.0566","0.0362","","","0.0821","0.0876","","","","","","1.031","","","","has coordinates","303374","2025-11-25","11:43:18",""
"7251278","21.17","0.004","4.5087","0.0009","23.576","0.005","90","","103.79","0.03","90","","2185.4","0.8","153","2","153.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H27 N20 O8 -","- C7 H27 N20 O8 -","- C28 H108 N80 O32 -","4","0.5","","Yanna, Wang; Yang, Xiaoming; Li, Xinrui; Zhao, Jun; Wang, Qi; Zhang, Tonglai; Li, Zhimin","Nitrogen-Rich Energetic Salts of 5,5'-Dinitramino-3,3'-Methylene-1H-1,2,4-Bistriazolate: powerful alliance towards good thermal stability and high performance","CrystEngComm","2025","","","","","10.1039/D5CE01052G","","","0.71073","MoKα","","0.0678","0.0607","","","0.1215","0.1256","","","","","","1.184","","","","has coordinates","303375","2025-11-25","11:43:47",""
"7251279","4.279","0.0004","8.6368","0.0008","30.854","0.003","90","","92.692","0.003","90","","1139.01","0.19","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H9 N11 O5 -","- C5 H9 N11 O5 -","- C20 H36 N44 O20 -","4","1","","Yanna, Wang; Yang, Xiaoming; Li, Xinrui; Zhao, Jun; Wang, Qi; Zhang, Tonglai; Li, Zhimin","Nitrogen-Rich Energetic Salts of 5,5'-Dinitramino-3,3'-Methylene-1H-1,2,4-Bistriazolate: powerful alliance towards good thermal stability and high performance","CrystEngComm","2025","","","","","10.1039/D5CE01052G","","","0.71073","MoKα","","0.1037","0.073","","","0.1705","0.1865","","","","","","1.048","","","","has coordinates","303375","2025-11-25","11:43:48",""
"7251280","5.821","0.0012","11.178","0.002","16.211","0.003","72.8","0.03","79.81","0.03","75.36","0.03","968.9","0.4","100","2","100","","","","","","","","","4","P -1","-P 1","2","Azonitrile","(E)-4-((4-nonyloxyphenyl)diazenyl)benzonitrile","","- C22 H27 N3 O -","- C22 H27 N3 O -","- C44 H54 N6 O2 -","2","1","","Thakur, Jyoti Swarup; Dash, Omkar; Bhale, Nagesh A.; Mondal, Pradip Kumar; Dikundwar, Amol Gopalrao; Polentarutti, Maurizio; Nayak, Susanta K.","Structural and computational study of reversibly photo switchable (E)-4-((4-alkoxyphenyl)diazenyl)benzonitrile based liquid crystals","CrystEngComm","2025","","","","","10.1039/D5CE00980D","","","0.7","Synchrotron","","0.0582","0.0494","","","0.1396","0.1495","","","","","","1.067","","","","has coordinates","303376","2025-11-25","11:44:51",""
"7251281","5.797","0.0012","7.406","0.0015","46.464","0.009","90","","93.23","0.03","90","","1991.7","0.7","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Azonitrile","(E)-4-((4-decyloxyphenyl)diazenyl)benzonitrile","","- C23 H29 N3 O -","- C23 H29 N3 O -","- C92 H116 N12 O4 -","4","1","","Thakur, Jyoti Swarup; Dash, Omkar; Bhale, Nagesh A.; Mondal, Pradip Kumar; Dikundwar, Amol Gopalrao; Polentarutti, Maurizio; Nayak, Susanta K.","Structural and computational study of reversibly photo switchable (E)-4-((4-alkoxyphenyl)diazenyl)benzonitrile based liquid crystals","CrystEngComm","2025","","","","","10.1039/D5CE00980D","","","0.7","Synchrotron","","0.0728","0.0699","","","0.2114","0.2135","","","","","","1.067","","","","has coordinates","303376","2025-11-25","11:45:02",""
"7251282","5.95","0.0012","18.537","0.004","19.114","0.004","73.39","0.03","87.85","0.03","88.91","0.03","2018.7","0.8","100","","100","","","","","","","","","4","P -1","-P 1","2","Azonitrile","(E)-4-((4-propoxyphenyl)diazenyl)benzonitrile","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C96 H90 N18 O6 -","6","3","","Thakur, Jyoti Swarup; Dash, Omkar; Bhale, Nagesh A.; Mondal, Pradip Kumar; Dikundwar, Amol Gopalrao; Polentarutti, Maurizio; Nayak, Susanta K.","Structural and computational study of reversibly photo switchable (E)-4-((4-alkoxyphenyl)diazenyl)benzonitrile based liquid crystals","CrystEngComm","2025","","","","","10.1039/D5CE00980D","","","0.7","Synchrotron","","0.0671","0.0632","","","0.1844","0.1918","","","","","","1.045","","","","has coordinates,has disorder","303376","2025-11-25","11:45:12",""
"7251283","5.818","0.0012","7.441","0.0015","40.745","0.008","90","","92.78","0.03","90","","1761.8","0.6","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Azonitrile","(E)-4-((4-heptyloxyphenyl)diazenyl)benzonitrile","","- C20 H23 N3 O -","- C20 H23 N3 O -","- C80 H92 N12 O4 -","4","1","","Thakur, Jyoti Swarup; Dash, Omkar; Bhale, Nagesh A.; Mondal, Pradip Kumar; Dikundwar, Amol Gopalrao; Polentarutti, Maurizio; Nayak, Susanta K.","Structural and computational study of reversibly photo switchable (E)-4-((4-alkoxyphenyl)diazenyl)benzonitrile based liquid crystals","CrystEngComm","2025","","","","","10.1039/D5CE00980D","","","0.7","Synchrotron","","0.0645","0.0579","","","0.1634","0.1699","","","","","","1.021","","","","has coordinates","303376","2025-11-25","11:45:13",""
"7251284","5.812","0.0012","7.468","0.0015","37.455","0.008","90","","93.01","0.03","90","","1623.5","0.6","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(E)-4-((4-hexyloxyphenyl)diazenyl)benzonitrile","Azonitrile","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C76 H84 N12 O4 -","4","1","","Thakur, Jyoti Swarup; Dash, Omkar; Bhale, Nagesh A.; Mondal, Pradip Kumar; Dikundwar, Amol Gopalrao; Polentarutti, Maurizio; Nayak, Susanta K.","Structural and computational study of reversibly photo switchable (E)-4-((4-alkoxyphenyl)diazenyl)benzonitrile based liquid crystals","CrystEngComm","2025","","","","","10.1039/D5CE00980D","","","0.7","Synchrotron","","0.0511","0.0443","","","0.1348","0.1362","","","","","","1.057","","","","has coordinates","303376","2025-11-25","11:45:13",""
"7251285","5.811","0.0012","7.367","0.0015","49.55","0.01","90","","93.1","0.03","90","","2118.1","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Azonitrile","(E)-4-((4-undecyloxyphenyl)diazenyl)benzonitrile","","- C24 H31 N3 O -","- C24 H31 N3 O -","- C96 H124 N12 O4 -","4","1","","Thakur, Jyoti Swarup; Dash, Omkar; Bhale, Nagesh A.; Mondal, Pradip Kumar; Dikundwar, Amol Gopalrao; Polentarutti, Maurizio; Nayak, Susanta K.","Structural and computational study of reversibly photo switchable (E)-4-((4-alkoxyphenyl)diazenyl)benzonitrile based liquid crystals","CrystEngComm","2025","","","","","10.1039/D5CE00980D","","","0.7","Synchrotron","","0.066","0.0588","","","0.1721","0.179","","","","","","1.047","","","","has coordinates","303376","2025-11-25","11:45:14",""
"7251286","12.3302","0.0004","12.3606","0.0004","13.6476","0.0005","85.327","0.001","64.419","0.001","83.563","0.001","1863.02","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 F21 O5 S Te -","- C31 H21 F21 O5 S Te -","- C62 H42 F42 O10 S2 Te2 -","2","1","","Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor","Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions","CrystEngComm","2025","","","","","10.1039/D5CE00866B","","","0.71073","MoKα","","0.0706","0.0598","","","0.1459","0.1552","","","","","","1.035","","","","has coordinates,has disorder","303377","2025-11-25","11:47:08",""
"7251287","19.5618","0.001","20.8276","0.0009","21.5393","0.0011","97.224","0.002","105.154","0.002","112.516","0.002","7569.6","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H53 B F42 O4 Te -","- C72 H53 B F42 O4 Te -","- C288 H212 B4 F168 O16 Te4 -","4","2","","Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor","Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions","CrystEngComm","2025","","","","","10.1039/D5CE00866B","","","0.71073","MoKα","","0.1509","0.0878","","","0.1868","0.2255","","","","","","1.046","","","","has coordinates,has disorder","303377","2025-11-25","11:47:12",""
"7251288","14.99","0.009","16.789","0.01","17.126","0.009","108.699","0.011","107.411","0.01","107.874","0.014","3487","4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H29 B Cl2 F42 N2 Te -","- C62 H29 B Cl2 F42 N2 Te -","- C124 H58 B2 Cl4 F84 N4 Te2 -","2","1","","Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor","Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions","CrystEngComm","2025","","","","","10.1039/D5CE00866B","","","0.71073","MoKα","","0.0659","0.053","","","0.1292","0.1388","","","","","","1.04","","","","has coordinates,has disorder","303377","2025-11-25","11:47:23",""
"7251289","12.5599","0.0017","12.6907","0.0017","14.1026","0.0018","76.029","0.004","75.037","0.004","64.109","0.004","1932.1","0.4","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C64 H45 B F42 O4 S4 Te -","- C64 H45 B F42 O4 S4 Te -","- C64 H45 B F42 O4 S4 Te -","1","1","","Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor","Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions","CrystEngComm","2025","","","","","10.1039/D5CE00866B","","","0.71073","MoKα","","0.068","0.0484","","","0.089","0.0978","","","","","","1.019","","","","has coordinates,has disorder","303377","2025-11-25","11:47:24",""
"7251290","14.3825","0.0005","31.2001","0.0009","17.7186","0.0007","90","","108.908","0.004","90","","7521.9","0.5","99.98","0.1","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H45 B F42 O4 S4 Te -","- C64 H45 B F42 O4 S4 Te -","- C256 H180 B4 F168 O16 S16 Te4 -","4","1","","Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor","Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions","CrystEngComm","2025","","","","","10.1039/D5CE00866B","","","0.71073","MoKα","","0.07","0.0438","","","0.0913","0.1038","","","","","","1.027","","","","has coordinates,has disorder","303377","2025-11-25","11:47:26",""
"7251291","14.7696","0.0005","16.7718","0.0006","17.1031","0.0005","109.129","0.001","108.099","0.001","107.353","0.001","3406.3","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H27 B Cl2 F42 N2 Te -","- C61 H27 B Cl2 F42 N2 Te -","- C122 H54 B2 Cl4 F84 N4 Te2 -","2","1","","Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor","Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions","CrystEngComm","2025","","","","","10.1039/D5CE00866B","","","0.71073","MoKα","","0.07","0.0585","","","0.144","0.1532","","","","","","1.029","","","","has coordinates,has disorder","303377","2025-11-25","11:47:26",""
"7251292","13.4842","0.0011","16.5143","0.0014","17.9535","0.0016","93.388","0.002","94.153","0.003","98.039","0.003","3938.5","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H45 B Cl2 F42 N3 Te -","- C72 H45 B Cl2 F42 N3 Te -","- C144 H90 B2 Cl4 F84 N6 Te2 -","2","1","","Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor","Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions","CrystEngComm","2025","","","","","10.1039/D5CE00866B","","","0.71073","MoKα","","0.1281","0.0867","","","0.2137","0.2509","","","","","","1.033","","","","has coordinates,has disorder","303377","2025-11-25","11:47:26",""
"7251293","13.0176","0.0009","15.0572","0.0009","22.0361","0.0015","95.134","0.002","94.794","0.002","100.996","0.002","4200.5","0.5","173","2","173","2","","","","","","","","12","P -1","-P 1","2","","","","- C72 H56 B Cl F42 N3 O6 Te en lv so t -","- C72 H56 B Cl F42 N3 O6 Te -","- C144 H112 B2 Cl2 F84 N6 O12 Te2 -","2","1","","Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor","Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions","CrystEngComm","2025","","","","","10.1039/D5CE00866B","","","0.71073","MoKα","","0.1408","0.0785","","","0.1891","0.2258","","","","","","1.042","","","","has coordinates,has disorder","303377","2025-11-25","11:47:27",""
"7251294","17.7129","0.0007","23.8886","0.0009","36.3698","0.0015","90","","90","","90","","15389.4","1.1","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C68 H33 B Cl4 F42 N4 Te -","- C68 H33 B Cl4 F42 N4 Te -","- C544 H264 B8 Cl32 F336 N32 Te8 -","8","1","","Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor","Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions","CrystEngComm","2025","","","","","10.1039/D5CE00866B","","","0.71073","MoKα","","0.0941","0.0588","","","0.1334","0.1547","","","","","","1.109","","","","has coordinates,has disorder","303377","2025-11-25","11:47:27",""
"7251295","38.275","0.003","17.6108","0.0015","20.7058","0.0016","90","","94.238","0.002","90","","13918.7","1.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H33 B F42 N4 Te -","- C64 H33 B F42 N4 Te -","- C512 H264 B8 F336 N32 Te8 -","8","2","","Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor","Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions","CrystEngComm","2025","","","","","10.1039/D5CE00866B","","","0.71073","MoKα","","0.1923","0.1211","","","0.2558","0.2934","","","","","","1.105","","","","has coordinates,has disorder","303377","2025-11-25","11:47:28",""
"7251296","9.841","0.009","19.441","0.015","23.234","0.017","90","","98.01","0.03","90","","4402","6","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H53.5 N4 Ni2 O19.75 -","- C36 H53.5 N4 Ni2 O19.75 -","- C144 H214 N16 Ni8 O79 -","4","1","","Sun, Ao-Na; Dong, Fu-Wan; Chen, Yi; Zhang, Si-Chen; Liu, Rui-Han; Zhu, Junlun; Shao, Dong","Guest water-induced reversible regulation of proton conduction in a two-dimensional nickel(II) coordination polymer","CrystEngComm","2025","","","","","10.1039/D5CE00938C","","x-ray","0.71073","MoKα","","0.0467","0.0359","","","0.0818","0.0873","","","","","","1.032","","","","has coordinates","303378","2025-11-25","11:48:35",""
"7251297","9.9528","0.0019","19.424","0.004","23.595","0.004","90","","99.347","0.006","90","","4500.9","1.5","360","2","360","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H46.25 N4 Ni2 O16.12 -","- C36 H46.25 N4 Ni2 O16.125 -","- C144 H185 N16 Ni8 O64.5 -","4","1","","Sun, Ao-Na; Dong, Fu-Wan; Chen, Yi; Zhang, Si-Chen; Liu, Rui-Han; Zhu, Junlun; Shao, Dong","Guest water-induced reversible regulation of proton conduction in a two-dimensional nickel(II) coordination polymer","CrystEngComm","2025","","","","","10.1039/D5CE00938C","","x-ray","0.71073","MoKα","","0.0776","0.07","","","0.1573","0.1618","","","","","","1.066","","","","has coordinates,has disorder","303378","2025-11-25","11:48:36",""
"7251298","9.87","0.011","19.429","0.012","23.223","0.013","90","","98.06","0.03","90","","4409","6","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H53.5 N4 Ni2 O19.75 -","- C36 H53.5 N4 Ni2 O19.75 -","- C144 H214 N16 Ni8 O79 -","4","1","","Sun, Ao-Na; Dong, Fu-Wan; Chen, Yi; Zhang, Si-Chen; Liu, Rui-Han; Zhu, Junlun; Shao, Dong","Guest water-induced reversible regulation of proton conduction in a two-dimensional nickel(II) coordination polymer","CrystEngComm","2025","","","","","10.1039/D5CE00938C","","","0.71073","MoKα","","0.0703","0.0457","","","0.1118","0.1275","","","","","","1.034","","","","has coordinates","303378","2025-11-25","11:48:36",""
"7251299","19.1","0.02","18.388","0.017","13.743","0.015","90","","90.43","0.03","90","","4827","9","268.76","","268.76","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C80 H64 N32 O24 V8 Zn4 -","- C80 H64 N32 O24 V8 Zn4 -","- C160 H128 N64 O48 V16 Zn8 -","2","0.5","","Zhu, Maochun; Bai, Xue; Yang, Yanli; Zhang, Ange; Wang, Siyue; Sun, Chengyu; Lu, Ying; Li, Bin; Liu, Shuxia","The stepwise construction of polyoxovanadate-based Zn-MOF nanoparticles with Lewis acid sites for the one-pot synthesis of N-heterocycles in air","Green Chemistry","2025","","","","","10.1039/D5GC04571A","","","0.71073","MoKα","","0.1457","0.0767","","","0.1494","0.1749","","","","","","1.002","","","","has coordinates","303392","2025-11-25","13:20:47",""
"7251300","20.1731","0.001","20.1804","0.0012","27.4319","0.0016","90","","90","","90","","11167.6","1.1","293","2","293","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C80 H66 N32 O29 V8 Zn8 -","- C80 H66 N32 O29 V8 Zn8 -","- C320 H264 N128 O116 V32 Zn32 -","4","0.5","","Zhu, Maochun; Bai, Xue; Yang, Yanli; Zhang, Ange; Wang, Siyue; Sun, Chengyu; Lu, Ying; Li, Bin; Liu, Shuxia","The stepwise construction of polyoxovanadate-based Zn-MOF nanoparticles with Lewis acid sites for the one-pot synthesis of N-heterocycles in air","Green Chemistry","2025","","","","","10.1039/D5GC04571A","","","0.71073","MoKα","","0.0772","0.0674","","","0.165","0.1719","","","","","","1.135","","","","has coordinates,has disorder","303392","2025-11-25","13:20:50",""
"7251301","13.2264","0.0002","10.8785","0.0002","16.7754","0.0003","90","","90","","90","","2413.7","0.07","173","0.1","173","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H20 Cl2 N2 -","- C10 H20 Cl2 N2 -","- C80 H160 Cl16 N16 -","8","1","","Mulliri, Kleni; Meier, Kris; Feuchter, Johanna-Dorothea; Javor, Sacha; Andrade Meirelles, Matheus; Reymond, Jean-Louis","Diversifying the Triquinazine Scaffold of a Janus Kinase Inhibitor","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00921A","","x-ray","1.54184","CuKα","","0.0587","0.0518","","","0.135","0.1453","","","","","","1.085","","","","has coordinates","303393","2025-11-25","14:34:46",""
"7251302","15.34716","0.00011","11.19722","0.00007","20.29496","0.00013","90","","98.8741","0.0006","90","","3445.85","0.04","172.9","0.2","172.9","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 N5 O2 S -","- C16 H23 N5 O2 S -","- C128 H184 N40 O16 S8 -","8","1","","Mulliri, Kleni; Meier, Kris; Feuchter, Johanna-Dorothea; Javor, Sacha; Andrade Meirelles, Matheus; Reymond, Jean-Louis","Diversifying the Triquinazine Scaffold of a Janus Kinase Inhibitor","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00921A","","x-ray","0.71073","MoKα","","0.037","0.0339","","","0.0949","0.0975","","","","","","1.061","","","","has coordinates","303393","2025-11-25","14:34:47",""
"7251303","7.89197","0.00015","8.29233","0.00013","15.5755","0.0002","88.6463","0.0013","79.6474","0.0014","84.935","0.0014","998.76","0.03","173.01","0.1","173.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C23 H27 N5 -","- C23 H27 N5 -","- C46 H54 N10 -","2","1","","Mulliri, Kleni; Meier, Kris; Feuchter, Johanna-Dorothea; Javor, Sacha; Andrade Meirelles, Matheus; Reymond, Jean-Louis","Diversifying the Triquinazine Scaffold of a Janus Kinase Inhibitor","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00921A","","x-ray","1.54184","CuKα","","0.0644","0.0604","","","0.1707","0.1744","","","","","","1.033","","","","has coordinates","303393","2025-11-25","14:34:48",""
"7251304","10.3008","0.0003","10.3514","0.0003","10.8884","0.0003","61.817","0.003","77.117","0.003","83.188","0.003","997.48","0.06","173.01","0.1","173.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H29 N5 O5 -","- C16 H29 N5 O5 -","- C32 H58 N10 O10 -","2","1","","Mulliri, Kleni; Meier, Kris; Feuchter, Johanna-Dorothea; Javor, Sacha; Andrade Meirelles, Matheus; Reymond, Jean-Louis","Diversifying the Triquinazine Scaffold of a Janus Kinase Inhibitor","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00921A","","x-ray","1.54184","CuKα","","0.0333","0.0308","","","0.0821","0.0838","","","","","","1.045","","","","has coordinates,has disorder","303393","2025-11-25","14:34:55",""
"7251305","12.32883","0.00017","12.61335","0.00013","13.40303","0.00017","65.3764","0.0011","76.8583","0.0011","86.5176","0.001","1843.76","0.04","173.01","0.1","173.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H25 N O5 -","- C19 H25 N O5 -","- C76 H100 N4 O20 -","4","2","","Mulliri, Kleni; Meier, Kris; Feuchter, Johanna-Dorothea; Javor, Sacha; Andrade Meirelles, Matheus; Reymond, Jean-Louis","Diversifying the Triquinazine Scaffold of a Janus Kinase Inhibitor","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00921A","","x-ray","1.54184","CuKα","","0.0349","0.033","","","0.086","0.0876","","","","","","1.03","","","","has coordinates","303393","2025-11-25","14:35:05",""
"7251306","9.73159","0.00014","10.58664","0.00016","10.70354","0.00016","78.4669","0.0013","74.0757","0.0013","68.5821","0.0014","981.04","0.03","172.99","0.1","172.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H30 N2 O2 -","- C20 H30 N2 O2 -","- C40 H60 N4 O4 -","2","1","","Mulliri, Kleni; Meier, Kris; Feuchter, Johanna-Dorothea; Javor, Sacha; Andrade Meirelles, Matheus; Reymond, Jean-Louis","Diversifying the Triquinazine Scaffold of a Janus Kinase Inhibitor","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00921A","","x-ray","1.54184","CuKα","","0.0583","0.0566","","","0.1608","0.1623","","","","","","1.083","","","","has coordinates,has disorder","303393","2025-11-25","14:35:06",""
"7251307","8.2112","0.0002","18.3624","0.0005","10.9157","0.0003","90","","93.184","0.002","90","","1643.3","0.08","173.01","0.1","173.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N6 O -","- C17 H20 N6 O -","- C68 H80 N24 O4 -","4","1","","Mulliri, Kleni; Meier, Kris; Feuchter, Johanna-Dorothea; Javor, Sacha; Andrade Meirelles, Matheus; Reymond, Jean-Louis","Diversifying the Triquinazine Scaffold of a Janus Kinase Inhibitor","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00921A","","x-ray","1.54184","CuKα","","0.0681","0.065","","","0.1812","0.1844","","","","","","1.057","","","","has coordinates,has disorder","303393","2025-11-25","14:35:07",""
"7251308","10.39323","0.00011","18.5344","0.00016","6.83259","0.00008","90","","91.9405","0.001","90","","1315.42","0.02","173.01","0.1","173.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 N3 -","- C30 H41 N3 -","- C60 H82 N6 -","2","0.5","","Mulliri, Kleni; Meier, Kris; Feuchter, Johanna-Dorothea; Javor, Sacha; Andrade Meirelles, Matheus; Reymond, Jean-Louis","Diversifying the Triquinazine Scaffold of a Janus Kinase Inhibitor","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00921A","","x-ray","1.54184","CuKα","","0.0586","0.0565","","","0.1357","0.1368","","","","","","1.082","","","","has coordinates,has disorder","303393","2025-11-25","14:35:17",""
"7251309","9.50207","0.00014","9.90958","0.00014","10.51714","0.00017","117.907","0.0015","91.6054","0.0013","92.5887","0.0012","872.9","0.03","173","0.1","173","0.1","","","","","","","","5","P 1","P 1","1","","","","- C17 H21 Cl N6 O -","- C17 H21 Cl N6 O -","- C34 H42 Cl2 N12 O2 -","2","2","","Mulliri, Kleni; Meier, Kris; Feuchter, Johanna-Dorothea; Javor, Sacha; Andrade Meirelles, Matheus; Reymond, Jean-Louis","Diversifying the Triquinazine Scaffold of a Janus Kinase Inhibitor","RSC Medicinal Chemistry","2025","","","","","10.1039/D5MD00921A","","x-ray","0.71073","MoKα","","0.0576","0.0458","","","0.1026","0.1069","","","","","","1.027","","","","has coordinates,has disorder","303393","2025-11-25","14:35:19",""
"7251310","10.8365","0.0003","11.8067","0.0003","12.0281","0.0003","90","","106.92","0.003","90","","1472.3","0.07","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cl5 N2 Sb -","- C8 H14 Cl5 N2 Sb -","- C32 H56 Cl20 N8 Sb4 -","4","1","","Alibi, Amin; Elleuch, Nour; Oueslati, Abderrazek; Shova, Sergiu; Boujelbene, Mohamed","Synthesis, optical features, and electrical properties of a new antimony-based hybrid halide (C8H14N2)[SbCl5]","RSC Advances","2025","15","54","45840","45854","10.1039/D5RA06615H","","","0.71073","MoKα","","0.0261","0.0218","","","0.042","0.0444","","","","","","1.051","","","","has coordinates","303414","2025-11-25","16:32:28",""
"7251311","8.5673","0.0003","10.4935","0.0004","16.3022","0.0007","90","","97.043","0.003","90","","1454.52","0.1","298","2","298.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cu N3 O6 -","- C13 H15 Cu N3 O6 -","- C52 H60 Cu4 N12 O24 -","4","1","","Khan, Md. Adnan; Shruti, Sonal; Sengupta, Swaraj; Khan, Sahanwaj; Bhardwaj, Prabhakar; Kumar, Pankaj; Naskar, Subhendu","Water-soluble binuclear aquo Cu(ii) complex with an amide ligand as an electrocatalyst for the OER, HER and CO2RR","RSC Advances","2025","15","54","46425","46433","10.1039/D5RA07824E","","x-ray","0.71073","MoKα","","0.0337","0.0295","","","0.0723","0.0755","","","","","","1.045","","","","has coordinates","303415","2025-11-25","16:32:51",""
"7251312","8.3624","0.0006","8.5232","0.0008","9.6931","0.0008","92.749","0.007","92.29","0.006","96.721","0.007","684.61","0.1","293","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C26 H30 N6 O10 -","2","1","","Khan, Md. Adnan; Shruti, Sonal; Sengupta, Swaraj; Khan, Sahanwaj; Bhardwaj, Prabhakar; Kumar, Pankaj; Naskar, Subhendu","Water-soluble binuclear aquo Cu(ii) complex with an amide ligand as an electrocatalyst for the OER, HER and CO2RR","RSC Advances","2025","15","54","46425","46433","10.1039/D5RA07824E","","x-ray","0.71073","MoKα","","0.0654","0.0461","","","0.1162","0.1333","","","","","","1.023","","","","has coordinates","303415","2025-11-25","16:32:52",""
"7251313","10.0247","0.0004","10.2858","0.0003","13.4724","0.0005","90","","110.611","0.004","90","","1300.25","0.09","93.15","","93.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-methoxy-4-(4-nitrophenyl)naphthalene","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Miwa, Marino; Ito, Akitaka","Fluorescent solvatochromism and nonfluorescence processes of charge-transfer-type molecules with a 4-nitrophenyl moiety","RSC Advances","2025","15","54","46297","46307","10.1039/D5RA07359F","","x-ray","0.71073","MoKα","","0.0394","0.0358","","","0.0946","0.0975","","","","","","1.072","","","","has coordinates","303416","2025-11-25","16:33:19",""
"7251314","11.5001","0.0005","17.6022","0.0008","5.9565","0.0003","90","","94.087","0.005","90","","1202.69","0.1","103.15","","103.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-methoxy-4-phenylnaphthalene","","- C17 H14 O -","- C17 H14 O -","- C68 H56 O4 -","4","1","","Miwa, Marino; Ito, Akitaka","Fluorescent solvatochromism and nonfluorescence processes of charge-transfer-type molecules with a 4-nitrophenyl moiety","RSC Advances","2025","15","54","46297","46307","10.1039/D5RA07359F","","x-ray","0.71073","MoKα","","0.0732","0.0586","","","0.1593","0.1672","","","","","","1.09","","","","has coordinates","303416","2025-11-25","16:33:20",""
"7251315","28.306","0.004","28.306","0.004","18.617","0.004","90","","90","","90","","14916","4","100","","100","","","","","","","","","4","I 4","I 4","79","","","","- C52 H99 N30 O36 -","- C52 H61 N30 O17 -","- C416 H488 N240 O136 -","8","1","","Rincón, David A; Zaorska, Ewelina; Malinska, Maura","Halogenated <i>N</i>-phenylpiperazine and 2-(piperazin-1-yl)pyrimidine as novel cucurbit[7]uril guests: experimental and computational insights into supramolecular binding.","RSC advances","2025","15","53","45555","45572","10.1039/d5ra07259j","","","0.5","synchrotron","","0.0758","0.0671","","","0.2083","0.2229","","","","","","1.089","","","","has coordinates,has disorder","303417","2025-11-25","16:34:39",""
"7251316","28.6126","0.0001","28.6126","0.0001","18.3038","0.0002","90","","90","","90","","14985","0.18","100","0.1","100","0.1","","","","","","","","6","I 4","I 4","79","","","","- C52 H87 Cl2 F2 N30 O30 -","- C52 H55 Cl2 F2 N30 O14 -","- C416 H440 Cl16 F16 N240 O112 -","8","1","","Rincón, David A; Zaorska, Ewelina; Malinska, Maura","Halogenated <i>N</i>-phenylpiperazine and 2-(piperazin-1-yl)pyrimidine as novel cucurbit[7]uril guests: experimental and computational insights into supramolecular binding.","RSC advances","2025","15","53","45555","45572","10.1039/d5ra07259j","","x-ray","1.54184","CuKα","","0.0551","0.0514","","","0.1457","0.1515","","","","","","1.067","","","","has coordinates,has disorder","303417","2025-11-25","16:34:40",""
"7251317","28.9179","0.0005","26.6083","0.0004","10.629","0.0001","90","","90","","90","","8178.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C50 H71 N32 Na3.5 O35 -","- C50 H55 N32 Na3.5 O27 -","- C200 H220 N128 Na14 O108 -","4","1","","Rincón, David A; Zaorska, Ewelina; Malinska, Maura","Halogenated <i>N</i>-phenylpiperazine and 2-(piperazin-1-yl)pyrimidine as novel cucurbit[7]uril guests: experimental and computational insights into supramolecular binding.","RSC advances","2025","15","53","45555","45572","10.1039/d5ra07259j","","x-ray","1.54184","CuKα","","0.1735","0.13","","","0.3398","0.3854","","","","","","1.395","","","","has coordinates,has disorder","303417","2025-11-25","16:34:40",""
"7251318","32.4607","0.0006","39.283","0.0008","20.2199","0.0003","90","","90","","90","","25783.5","0.8","100.01","0.1","100.01","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C73 H182 Cl F N44 O74 -","- C73 H76 Cl F N44 O21 -","- C584 H608 Cl8 F8 N352 O168 -","8","1","","Rincón, David A; Zaorska, Ewelina; Malinska, Maura","Halogenated <i>N</i>-phenylpiperazine and 2-(piperazin-1-yl)pyrimidine as novel cucurbit[7]uril guests: experimental and computational insights into supramolecular binding.","RSC advances","2025","15","53","45555","45572","10.1039/d5ra07259j","","x-ray","1.54184","CuKα","","0.0725","0.0645","","","0.1878","0.1994","","","","","","1.046","","","","has coordinates,has disorder","303417","2025-11-25","16:34:40",""
"7251319","15.6728","0.0001","8.5913","0.0001","23.4511","0.0002","90","","92.606","0.001","90","","3154.42","0.05","290","0.3","290","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl2 N2 O6 -","- C36 H30 Cl2 N2 O6 -","- C144 H120 Cl8 N8 O24 -","4","1","","George, Gary C.; Owens, Drew; Osbourn, Damon M.; Hutchins, Kristin M.; Groeneman, Ryan","Heating enables solid-state motion and improves the yield of a [2 + 2] cycloaddition reaction within an organic cocrystal","CrystEngComm","2025","","","","","10.1039/D5CE00995B","","x-ray","1.54184","CuKα","","0.0375","0.033","","","0.0954","0.0993","","","","","","1.08","","","","has coordinates,has disorder","303446","2025-11-26","23:48:45",""
"7251320","15.6977","0.0001","8.6067","0.0001","23.4697","0.0002","90","","92.652","0.001","90","","3167.49","0.05","310","0.2","310","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl2 N2 O6 -","- C36 H30 Cl2 N2 O6 -","- C144 H120 Cl8 N8 O24 -","4","1","","George, Gary C.; Owens, Drew; Osbourn, Damon M.; Hutchins, Kristin M.; Groeneman, Ryan","Heating enables solid-state motion and improves the yield of a [2 + 2] cycloaddition reaction within an organic cocrystal","CrystEngComm","2025","","","","","10.1039/D5CE00995B","","x-ray","1.54184","CuKα","","0.0389","0.0338","","","0.097","0.1015","","","","","","1.064","","","","has coordinates,has disorder","303446","2025-11-26","23:48:45",""
"7251321","15.7987","0.0002","8.6606","0.0001","23.5163","0.0003","90","","92.823","0.001","90","","3213.74","0.07","370","0.3","370","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl2 N2 O6 -","- C36 H30 Cl2 N2 O6 -","- C144 H120 Cl8 N8 O24 -","4","1","","George, Gary C.; Owens, Drew; Osbourn, Damon M.; Hutchins, Kristin M.; Groeneman, Ryan","Heating enables solid-state motion and improves the yield of a [2 + 2] cycloaddition reaction within an organic cocrystal","CrystEngComm","2025","","","","","10.1039/D5CE00995B","","x-ray","1.54184","CuKα","","0.0509","0.0386","","","0.1101","0.1193","","","","","","1.06","","","","has coordinates,has disorder","303446","2025-11-26","23:48:45",""
"7251322","15.727","0.0001","8.6245","0.0001","23.4866","0.0002","90","","92.696","0.001","90","","3182.14","0.05","330.1","0.2","330.1","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl2 N2 O6 -","- C36 H30 Cl2 N2 O6 -","- C144 H120 Cl8 N8 O24 -","4","1","","George, Gary C.; Owens, Drew; Osbourn, Damon M.; Hutchins, Kristin M.; Groeneman, Ryan","Heating enables solid-state motion and improves the yield of a [2 + 2] cycloaddition reaction within an organic cocrystal","CrystEngComm","2025","","","","","10.1039/D5CE00995B","","x-ray","1.54184","CuKα","","0.0412","0.0349","","","0.101","0.1065","","","","","","1.085","","","","has coordinates,has disorder","303446","2025-11-26","23:48:45",""
"7251323","15.7598","0.0002","8.6427","0.0001","23.5008","0.0002","90","","92.75","0.001","90","","3197.29","0.06","350","0.2","350","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl2 N2 O6 -","- C36 H30 Cl2 N2 O6 -","- C144 H120 Cl8 N8 O24 -","4","1","","George, Gary C.; Owens, Drew; Osbourn, Damon M.; Hutchins, Kristin M.; Groeneman, Ryan","Heating enables solid-state motion and improves the yield of a [2 + 2] cycloaddition reaction within an organic cocrystal","CrystEngComm","2025","","","","","10.1039/D5CE00995B","","x-ray","1.54184","CuKα","","0.0443","0.0367","","","0.1056","0.1121","","","","","","1.069","","","","has coordinates,has disorder","303446","2025-11-26","23:48:45",""
"7251324","12.136","0.003","9.124","0.002","17.679","0.005","90","","99.308","0.008","90","","1931.8","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Metacetamol acetone hemisolvate","N(3hydroxyphenylacetamide)acetonehemisolvate","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Natarajan, Architha; Karuppannan, Srinivasan","Discovery of a Novel Acetone Hemisolvate of Metacetamol via Swift Cooling Crystallization","CrystEngComm","2025","","","","","10.1039/D5CE00927H","","","0.71073","MoKα","","0.3591","0.1004","","","0.1765","0.2678","","","","","","0.919","","","","has coordinates","303447","2025-11-26","23:49:06",""
"7251325","6.5505","0.0004","7.319","0.0004","14.688","0.0008","89.116","0.004","102.483","0.005","94.488","0.005","685.43","0.07","200","","200","","","","","","","","","4","P -1","-P 1","2","","p-xylene:chloropentafluorobenzene","","- C14 H10 Cl F5 -","- C14 H10 Cl F5 -","- C28 H20 Cl2 F10 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw","Exploring non-covalent interactions in binary aromatic complexes","CrystEngComm","2025","","","","","10.1039/D5CE00989H","","x-ray","1.54184","CuKα","","0.0944","0.0761","","","0.2145","0.2352","","","","","","1.061","","","","has coordinates,has disorder","303448","2025-11-26","23:50:07",""
"7251326","6.462","0.0004","7.4574","0.0004","15.1315","0.0007","90.38","0.004","100.429","0.005","94.132","0.005","715.13","0.07","240","","240","","","","","","","","","4","P -1","-P 1","2","","1,4-dichlorotetrafluorobenzene 1,4-dimethylbenzene","","- C14 H10 Cl2 F4 -","- C14 H10 Cl2 F4 -","- C28 H20 Cl4 F8 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw","Exploring non-covalent interactions in binary aromatic complexes","CrystEngComm","2025","","","","","10.1039/D5CE00989H","","x-ray","1.54184","CuKα","","0.0801","0.0569","","","0.1555","0.1788","","","","","","1.049","","","","has coordinates,has disorder","303448","2025-11-26","23:50:08",""
"7251327","6.2099","0.0004","7.4687","0.0004","7.9874","0.0004","109.801","0.005","99.549","0.005","95.567","0.005","339","0.04","200","","200","","","","","","","","","4","P -1","-P 1","2","","p-xylene:chloropentafluorobenzene","","- C14 H10 Cl F5 -","- C14 H10 Cl F5 -","- C14 H10 Cl F5 -","1","0.5","","Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw","Exploring non-covalent interactions in binary aromatic complexes","CrystEngComm","2025","","","","","10.1039/D5CE00989H","","x-ray","1.54184","CuKα","","0.0733","0.0657","","","0.1732","0.1805","","","","","","1.151","","","","has coordinates,has disorder","303448","2025-11-26","23:50:09",""
"7251328","6.0419","0.0002","8.9855","0.0002","9.989","0.0003","74.629","0.002","89.584","0.002","89.675","0.002","522.88","0.03","120","","120","","","","","","","","","4","P -1","-P 1","2","","Iodofluorobenzene:p-xylene","","- C10 H5 F5 I -","- C10 H5 F5 I -","- C20 H10 F10 I2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw","Exploring non-covalent interactions in binary aromatic complexes","CrystEngComm","2025","","","","","10.1039/D5CE00989H","","x-ray","0.71073","MoKα","","0.0305","0.0268","","","0.0563","0.0578","","","","","","1.056","","","","has coordinates","303448","2025-11-26","23:50:09",""
"7251329","8.4576","0.0003","8.3594","0.0003","9.8748","0.0003","90","","92.357","0.003","90","","697.56","0.04","150","","150","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","p-Xylene:1,4-dibromotetrafluorobenzene","","- C14 H10 Br2 F4 -","- C14 H10 Br2 F4 -","- C28 H20 Br4 F8 -","2","0.25","","Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw","Exploring non-covalent interactions in binary aromatic complexes","CrystEngComm","2025","","","","","10.1039/D5CE00989H","","x-ray","1.54184","CuKα","","0.0216","0.0206","","","0.0535","0.0545","","","","","","1.128","","","","has coordinates,has disorder","303448","2025-11-26","23:50:09",""
"7251330","8.6866","0.0002","7.1907","0.0002","10.5364","0.0003","90","","90.058","0.003","90","","658.13","0.03","150","","150","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","p-Tetrafluorodiidobenzene","","- C12 H6 F4 I2 -","- C12 H6 F4 I2 -","- C24 H12 F8 I4 -","2","0.25","","Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw","Exploring non-covalent interactions in binary aromatic complexes","CrystEngComm","2025","","","","","10.1039/D5CE00989H","","x-ray","0.71073","MoKα","","0.0325","0.0299","","","0.073","0.0742","","","","","","1.07","","","","has coordinates,has disorder","303448","2025-11-26","23:50:10",""
"7251331","6.1383","0.0005","7.4411","0.0007","7.9224","0.0006","111.378","0.008","99.662","0.007","95.159","0.007","327.65","0.05","120","","120","","","","","","","","","4","P -1","-P 1","2","","p-xylene:chloropentafluorobenzene","","- C14 H10 Cl F5 -","- C14 H10 Cl F5 -","- C14 H10 Cl F5 -","1","0.5","","Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw","Exploring non-covalent interactions in binary aromatic complexes","CrystEngComm","2025","","","","","10.1039/D5CE00989H","","x-ray","1.54184","CuKα","","0.0639","0.0545","","","0.1486","0.1588","","","","","","1.053","","","","has coordinates,has disorder","303448","2025-11-26","23:50:10",""
"7251332","9.0813","0.0003","15.2034","0.0004","9.8653","0.0002","90","","99.229","0.003","90","","1344.44","0.06","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","p-xylene:bromopentafluorobenzene","","- C14 H10 Br F5 -","- C14 H10 Br F5 -","- C56 H40 Br4 F20 -","4","1","","Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw","Exploring non-covalent interactions in binary aromatic complexes","CrystEngComm","2025","","","","","10.1039/D5CE00989H","","x-ray","1.54184","CuKα","","0.0407","0.0372","","","0.1016","0.1048","","","","","","1.056","","","","has coordinates","303448","2025-11-26","23:50:11",""
"7251333","6.3455","0.0003","7.5012","0.0003","7.7599","0.0003","109.37","0.004","98.59","0.004","90.299","0.003","343.95","0.03","130","","130","","","","","","","","","4","P -1","-P 1","2","","p-xylene:p-dichlorotetrafluorobenzene","","- C14 H10 Cl2 F4 -","- C14 H10 Cl2 F4 -","- C14 H10 Cl2 F4 -","1","0.5","","Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw","Exploring non-covalent interactions in binary aromatic complexes","CrystEngComm","2025","","","","","10.1039/D5CE00989H","","x-ray","1.54184","CuKα","","0.0492","0.0457","","","0.1241","0.1272","","","","","","1.06","","","","has coordinates,has disorder","303448","2025-11-26","23:50:11",""
"7251334","8.514","0.0007","8.5541","0.0008","10.2442","0.0008","90","","93.45","0.007","90","","744.73","0.11","150","","150","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","p-xylene:p-diiodotetrafluorobenzene","","- C14 H10 F4 I2 -","- C14 H10 F4 I2 -","- C28 H20 F8 I4 -","2","0.25","","Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw","Exploring non-covalent interactions in binary aromatic complexes","CrystEngComm","2025","","","","","10.1039/D5CE00989H","","x-ray","0.71073","MoKα","","0.0479","0.0418","","","0.1045","0.1082","","","","","","1.08","","","","has coordinates,has disorder","303448","2025-11-26","23:50:11",""
"7251335","14.83539","0.00017","7.90142","0.00009","5.98834","0.00007","90","","90","","96.4553","0.0011","697.507","0.014","220","","220","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","p-xylene:dichlorotetrafluorobenzene","","- C14 H10 Cl2 F4 -","- C14 H10 Cl2 F4 -","- C28 H20 Cl4 F8 -","2","0.5","","Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw","Exploring non-covalent interactions in binary aromatic complexes","CrystEngComm","2025","","","","","10.1039/D5CE00989H","","x-ray","1.54184","CuKα","","0.0293","0.028","","","0.0889","0.0901","","","","","","1.072","","","","has coordinates","303448","2025-11-26","23:50:11",""
"7251336","18.0728","0.0002","9.942","0.0001","7.1151","0.0001","90","","93.425","0.001","90","","1276.16","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N9 O4 S -","- C7 H9 N9 O4 S -","- C28 H36 N36 O16 S4 -","4","1","","Stebletsova, Irina; Larin, Alexander; Vinogradov, Dmitry B.; Pivkina, Alla N.; Leonov, Nikita E.; Gazieva, Galina A.; Fershtat, Leonid L.","New thermally stable and friction-insensitive nitrogen-rich salts: a synergy of 1,2,4-triazole, furoxan and hydroxytetrazole motifs","CrystEngComm","2025","","","","","10.1039/D5CE01047K","","x-ray","1.54184","CuKα","","0.0397","0.0392","","","0.1079","0.1085","","","","","","1.067","","","","has coordinates","303449","2025-11-26","23:51:08",""
"7251337","3.83694","0.00005","17.9329","0.0002","16.51337","0.00018","90","","94.2871","0.0011","90","","1133.06","0.02","100","0.1","100","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H8 N12 O3 -","- C6 H8 N12 O3 -","- C24 H32 N48 O12 -","4","1","","Stebletsova, Irina; Larin, Alexander; Vinogradov, Dmitry B.; Pivkina, Alla N.; Leonov, Nikita E.; Gazieva, Galina A.; Fershtat, Leonid L.","New thermally stable and friction-insensitive nitrogen-rich salts: a synergy of 1,2,4-triazole, furoxan and hydroxytetrazole motifs","CrystEngComm","2025","","","","","10.1039/D5CE01047K","","x-ray","1.54184","CuKα","","0.0252","0.025","","","0.0655","0.0657","","","","","","1.068","","","","has coordinates","303449","2025-11-26","23:51:09",""
"7251338","6.9975","0.0002","8.944","0.0002","11.0111","0.0003","66.363","0.003","86.447","0.002","75.934","0.002","611.9","0.03","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C5 H5 K2 N9 O5 -","- C5 H5 K2 N9 O5 -","- C10 H10 K4 N18 O10 -","2","1","","Stebletsova, Irina; Larin, Alexander; Vinogradov, Dmitry B.; Pivkina, Alla N.; Leonov, Nikita E.; Gazieva, Galina A.; Fershtat, Leonid L.","New thermally stable and friction-insensitive nitrogen-rich salts: a synergy of 1,2,4-triazole, furoxan and hydroxytetrazole motifs","CrystEngComm","2025","","","","","10.1039/D5CE01047K","","x-ray","1.54184","CuKα","","0.0464","0.0458","","","0.1293","0.1302","","","","","","1.106","","","","has coordinates","303449","2025-11-26","23:51:09",""
"7251339","18.3967","0.0003","7.1759","0.0001","13.5983","0.0002","90","","110.355","0.002","90","","1683.05","0.05","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H3 N9 O3 -","- C5 H3 N9 O3 -","- C40 H24 N72 O24 -","8","1","","Stebletsova, Irina; Larin, Alexander; Vinogradov, Dmitry B.; Pivkina, Alla N.; Leonov, Nikita E.; Gazieva, Galina A.; Fershtat, Leonid L.","New thermally stable and friction-insensitive nitrogen-rich salts: a synergy of 1,2,4-triazole, furoxan and hydroxytetrazole motifs","CrystEngComm","2025","","","","","10.1039/D5CE01047K","","x-ray","1.54184","CuKα","","0.0341","0.032","","","0.0873","0.0889","","","","","","1.072","","","","has coordinates","303449","2025-11-26","23:51:09",""
"7251340","19.4454","0.0003","5.3607","0.0001","10.9087","0.0002","90","","90","","90","","1137.13","0.03","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C48 H40 N8 O8 S4 -","4","1","","Pavić, Luka; Miočić, Filip; Razum, Marta; Sarjanović, Josipa; Pisk, Jana","From structure to function: tunable electrical and catalytic properties in rare Mo(vi)-thiophene-2-carboxylic acid hydrazone complexes obtained mechanochemically","RSC Advances","2025","15","54","46194","46206","10.1039/D5RA07456H","","x-ray","1.54184","CuKα","","0.0293","0.0277","","","0.0736","0.0747","","","","","","1.06","","","","has coordinates,has disorder","303452","2025-11-27","02:46:09",""
"7251341","7.7429","0.0001","10.6417","0.0001","21.2775","0.0004","90","","91.132","0.002","90","","1752.87","0.04","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Mo N2 O6 S -","- C15 H16 Mo N2 O6 S -","- C60 H64 Mo4 N8 O24 S4 -","4","1","","Pavić, Luka; Miočić, Filip; Razum, Marta; Sarjanović, Josipa; Pisk, Jana","From structure to function: tunable electrical and catalytic properties in rare Mo(vi)-thiophene-2-carboxylic acid hydrazone complexes obtained mechanochemically","RSC Advances","2025","15","54","46194","46206","10.1039/D5RA07456H","","","1.54184","CuKα","","0.0365","0.0318","","","0.0885","0.091","","","","","","1.087","","","","has coordinates,has disorder","303452","2025-11-27","02:46:10",""
"7251342","14.8458","0.0002","7.2875","0.0001","26.5865","0.0003","90","","90","","90","","2876.36","0.06","100","0.1","100","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C13 H12 Mo N2 O5 S -","- C13 H12 Mo N2 O5 S -","- C104 H96 Mo8 N16 O40 S8 -","8","1","","Pavić, Luka; Miočić, Filip; Razum, Marta; Sarjanović, Josipa; Pisk, Jana","From structure to function: tunable electrical and catalytic properties in rare Mo(vi)-thiophene-2-carboxylic acid hydrazone complexes obtained mechanochemically","RSC Advances","2025","15","54","46194","46206","10.1039/D5RA07456H","","x-ray","1.54184","CuKα","","0.037","0.0363","","","0.0941","0.0946","","","","","","1.088","","","","has coordinates,has disorder","303452","2025-11-27","02:46:10",""
"7251343","9.4891","0.0003","6.3751","0.0002","10.7541","0.0003","90","","105.248","0.002","90","","627.66","0.03","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Be Cd F4 H8 O4 -","- Be Cd F4 H8 O4 -","- Be4 Cd4 F16 H32 O16 -","4","0.5","","Charkin, D. O.; Kireev, V. E.; Banaru, A. M.; Kompanchenko, A. A.; Tananaev, I. G.; Aksenov, S. M.","When sulfate, selenate, and fluoroberyllate are not isostructural analogs: the case of Cd[BeF4]·4H2O and (C2H8N2)[Cd(H2O)6][BeF4]2","CrystEngComm","2025","27","42","6926","6933","10.1039/D5CE00696A","","x-ray","0.71073","MoKα","","0.0238","0.0216","","","0.0225","0.0231","","","","1.1","1.1","1.08","","","","has coordinates","303453","2025-11-27","11:30:00",""
"7251344","8.2702","0.0003","7.0248","0.0003","13.162","0.0004","90","","101.71","0.003","90","","748.75","0.05","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C2 H22 Be2 Cd F8 N2 O6 -","- C2 H22 Be2 Cd F8 N2 O6 -","- C4 H44 Be4 Cd2 F16 N4 O12 -","2","0.5","","Charkin, D. O.; Kireev, V. E.; Banaru, A. M.; Kompanchenko, A. A.; Tananaev, I. G.; Aksenov, S. M.","When sulfate, selenate, and fluoroberyllate are not isostructural analogs: the case of Cd[BeF4]·4H2O and (C2H8N2)[Cd(H2O)6][BeF4]2","CrystEngComm","2025","27","42","6926","6933","10.1039/D5CE00696A","","x-ray","0.71073","MoKα","","0.0592","0.0461","","","0.0582","0.0619","","","","1.53","1.53","1.4","","","","has coordinates","303453","2025-11-27","11:30:02",""
"7251345","11.6985","0.0011","21.9295","0.0018","14.1729","0.0013","90","","106.199","0.003","90","","3491.6","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76 H55 Br5 N12 Ni2 O5 -","- C76 H55 Br5 N12 Ni2 O5 -","- C152 H110 Br10 N24 Ni4 O10 -","2","1","","Maniyampara, Pramod Kumar; M, BHAGIYALAKSHMI; Kurup, Prathapachandra M. R.; Potti, Manoj Easwaran; Damodaran, Krishna K.; Maheswaran , Sithambaresan; Hussain, Firasat","Nickel(II) Complexes of Halogen-Containing NNO Donor Aroylhydrazones as Potential Putative Binders against SARS Cov-2 M pro","CrystEngComm","2025","","","","","10.1039/D5CE00875A","","","0.71073","MoKα","","0.0535","0.0344","","","0.0737","0.0781","","","","","","1.197","","","","has coordinates","303465","2025-11-27","23:55:39",""
"7251346","10.3827","0.0002","13.1468","0.0003","13.822","0.0003","71.199","0.002","80.71","0.002","68.42","0.002","1658.86","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.29 H25.85 Br2 N8.15 Ni O2.71 -","- C36.292 H25.854 Br2 N8.146 Ni O2.708 -","- C72.584 H51.708 Br4 N16.292 Ni2 O5.416 -","2","1","","Maniyampara, Pramod Kumar; M, BHAGIYALAKSHMI; Kurup, Prathapachandra M. R.; Potti, Manoj Easwaran; Damodaran, Krishna K.; Maheswaran , Sithambaresan; Hussain, Firasat","Nickel(II) Complexes of Halogen-Containing NNO Donor Aroylhydrazones as Potential Putative Binders against SARS Cov-2 M pro","CrystEngComm","2025","","","","","10.1039/D5CE00875A","","","0.71073","MoKα","","0.0564","0.0378","","","0.085","0.0905","","","","","","1.056","","","","has coordinates,has disorder","303465","2025-11-27","23:55:40",""
"7251347","11.7229","0.0006","21.9885","0.0011","14.3111","0.0007","90","","105.77","0.002","90","","3550.1","0.3","302","2","302","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H27 Br2 Cl N6 Ni O2 -","- C38 H27 Br2 Cl N6 Ni O2 -","- C152 H108 Br8 Cl4 N24 Ni4 O8 -","4","1","","Maniyampara, Pramod Kumar; M, BHAGIYALAKSHMI; Kurup, Prathapachandra M. R.; Potti, Manoj Easwaran; Damodaran, Krishna K.; Maheswaran , Sithambaresan; Hussain, Firasat","Nickel(II) Complexes of Halogen-Containing NNO Donor Aroylhydrazones as Potential Putative Binders against SARS Cov-2 M pro","CrystEngComm","2025","","","","","10.1039/D5CE00875A","","","0.71073","MoKα","","0.0739","0.056","","","0.1224","0.1292","","","","","","1.154","","","","has coordinates","303465","2025-11-27","23:55:41",""
"7251348","10.3969","0.0007","22.1306","0.0016","14.8113","0.0011","90","","104.593","0.002","90","","3298","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 Br2 N6 Ni O2 -","- C38 H26 Br2 N6 Ni O2 -","- C152 H104 Br8 N24 Ni4 O8 -","4","1","","Maniyampara, Pramod Kumar; M, BHAGIYALAKSHMI; Kurup, Prathapachandra M. R.; Potti, Manoj Easwaran; Damodaran, Krishna K.; Maheswaran , Sithambaresan; Hussain, Firasat","Nickel(II) Complexes of Halogen-Containing NNO Donor Aroylhydrazones as Potential Putative Binders against SARS Cov-2 M pro","CrystEngComm","2025","","","","","10.1039/D5CE00875A","","","0.71073","MoKα","","0.04","0.0311","","","0.0773","0.0847","","","","","","1.044","","","","has coordinates","303465","2025-11-27","23:55:41",""
"7251349","11.6612","0.0011","22.5022","0.0019","14.1199","0.0013","90","","105.387","0.003","90","","3572.3","0.6","302","2","302","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H25 Br2 N9 Ni O5 -","- C36 H25 Br2 N9 Ni O5 -","- C144 H100 Br8 N36 Ni4 O20 -","4","1","","Maniyampara, Pramod Kumar; M, BHAGIYALAKSHMI; Kurup, Prathapachandra M. R.; Potti, Manoj Easwaran; Damodaran, Krishna K.; Maheswaran , Sithambaresan; Hussain, Firasat","Nickel(II) Complexes of Halogen-Containing NNO Donor Aroylhydrazones as Potential Putative Binders against SARS Cov-2 M pro","CrystEngComm","2025","","","","","10.1039/D5CE00875A","","","0.71073","MoKα","","0.0643","0.0468","","","0.0857","0.0921","","","","","","1.078","","","","has coordinates","303465","2025-11-27","23:55:41",""
"7251350","11.839","0.0005","22.1899","0.001","14.4233","0.0007","90","","107.183","0.002","90","","3620","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H27 Br2 N7 Ni O5 -","- C38 H27 Br2 N7 Ni O5 -","- C152 H108 Br8 N28 Ni4 O20 -","4","1","","Maniyampara, Pramod Kumar; M, BHAGIYALAKSHMI; Kurup, Prathapachandra M. R.; Potti, Manoj Easwaran; Damodaran, Krishna K.; Maheswaran , Sithambaresan; Hussain, Firasat","Nickel(II) Complexes of Halogen-Containing NNO Donor Aroylhydrazones as Potential Putative Binders against SARS Cov-2 M pro","CrystEngComm","2025","","","","","10.1039/D5CE00875A","","","0.71073","MoKα","","0.1303","0.0463","","","0.0688","0.0911","","","","","","1.029","","","","has coordinates","303465","2025-11-27","23:55:41",""
"7251351","7.4513","0.0003","11.4497","0.0004","12.7532","0.0005","90","","90.562","0.004","90","","1087.99","0.07","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-3,3'-Azothiophene-2,2'-dicarboxylic acid","","- C10 H6 N2 O4 S2 -","- C10 H6 N2 O4 S2 -","- C40 H24 N8 O16 S8 -","4","1","","Zhang, Xin; Kotoulas, Konstantinos T.; Bandaranayake, P.M. Anuththaara; Chathumalee, Dilani; Ehsan, Nuha; Huddleston, Patrick R.; Wallis, John D.; Perry, Carole Celia","Azothiophene-Based Molecular Switches: Influence of Substituent Position and Solvent Environment on Photophysical Behaviour","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP03027G","","x-ray","1.54184","CuKα","","0.0669","0.059","","","0.1746","0.1787","","","","","","1.158","","","","has coordinates","303473","2025-11-28","02:19:29",""
"7251352","9.0514","0.0002","7.63966","0.00018","9.7827","0.0002","90","","104.546","0.002","90","","654.79","0.03","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","orange polymorph","2,2'-Bis(methoxycarbonyl)-3,3'-azothiophene","","- C12 H10 N2 O4 S2 -","- C12 H10 N2 O4 S2 -","- C24 H20 N4 O8 S4 -","2","0.5","","Zhang, Xin; Kotoulas, Konstantinos T.; Bandaranayake, P.M. Anuththaara; Chathumalee, Dilani; Ehsan, Nuha; Huddleston, Patrick R.; Wallis, John D.; Perry, Carole Celia","Azothiophene-Based Molecular Switches: Influence of Substituent Position and Solvent Environment on Photophysical Behaviour","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP03027G","","x-ray","1.54184","CuKα","","0.0349","0.0339","","","0.0935","0.0946","","","","","","1.059","","","","has coordinates,has disorder","303473","2025-11-28","02:19:30",""
"7251353","3.87346","0.00011","13.8361","0.0006","13.9032","0.0006","61.541","0.004","87.776","0.003","87.828","0.003","654.43","0.05","119.99","0.1","119.99","0.1","","","","","","","","5","P -1","-P 1","2","Colourless polymorph","2,2'-Bis(methoxycarbonyl)-3,3'-azothiophene","","- C12 H10 N2 O4 S2 -","- C12 H10 N2 O4 S2 -","- C24 H20 N4 O8 S4 -","2","1","","Zhang, Xin; Kotoulas, Konstantinos T.; Bandaranayake, P.M. Anuththaara; Chathumalee, Dilani; Ehsan, Nuha; Huddleston, Patrick R.; Wallis, John D.; Perry, Carole Celia","Azothiophene-Based Molecular Switches: Influence of Substituent Position and Solvent Environment on Photophysical Behaviour","Physical Chemistry Chemical Physics","2025","","","","","10.1039/D5CP03027G","","x-ray","1.54184","CuKα","","0.0542","0.0437","","","0.0995","0.106","","","","","","1.044","","","","has coordinates","303473","2025-11-28","02:19:31",""
"7251354","7.2858","0.0002","7.5501","0.0001","8.1252","0.0002","103.497","0.002","94.404","0.002","90.088","0.002","433.241","0.017","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Ca3 Ge3 O9 -","- Ca3 Ge3 O9 -","- Ca6 Ge6 O18 -","2","1","","Zhang, Hengyuan; Wu, Jipeng; Ma, Yidong; Chen, Feifei; Zhao, Xian","Single-Crystal Ca₃Ge₃O₉ Calcium Germanate: Structure, Thermal and Optical Properties from Experiment and First-Principles","CrystEngComm","2025","","","","","10.1039/D5CE00913H","","x-ray","1.54184","CuKα","","0.032","0.0295","","","0.0747","0.076","","","","","","1.091","","","","has coordinates","303482","2025-11-28","23:36:10",""
"7251355","16.9204","0.0003","14.3689","0.0003","29.1546","0.0007","90","","105.236","0.001","90","","6839.1","0.3","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C78 H105 I33 N12 O4 Sb4 -","- C78 H105 I33 N12 O4 Sb4 -","- C156 H210 I66 N24 O8 Sb8 -","2","0.5","","Shentseva, Irina; Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maksim Nailyevich; Adonin, Sergey A.","New iodine-rich Group 15 iodometalates(III): self-assembly of metal halide anions and polyiodides into supramolecular architectures via I···I contacts","CrystEngComm","2025","","","","","10.1039/D5CE00992H","","","0.71073","MoKα","","0.0842","0.0505","","","0.0719","0.0856","","","","","","1.019","","","","has coordinates,has disorder","303483","2025-11-28","23:36:41",""
"7251356","16.913","0.002","14.4492","0.0017","56.667","0.007","90","","91.534","0.004","90","","13843","3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H105 Bi4 I33 N12 O4 -","- C78 H105 Bi4 I33 N12 O4 -","- C312 H420 Bi16 I132 N48 O16 -","4","0.5","","Shentseva, Irina; Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maksim Nailyevich; Adonin, Sergey A.","New iodine-rich Group 15 iodometalates(III): self-assembly of metal halide anions and polyiodides into supramolecular architectures via I···I contacts","CrystEngComm","2025","","","","","10.1039/D5CE00992H","","","0.71073","MoKα","","0.0682","0.0437","","","0.0793","0.0874","","","","","","1.051","","","","has coordinates,has disorder","303483","2025-11-28","23:36:43",""
"7251357","11.1619","0.0007","11.1679","0.0007","11.4098","0.0007","86.868","0.002","60.809","0.002","75.3","0.002","1196.98","0.13","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","2","","- C38 H44 Cl4 Dy2 N8 O4 -","- C38 H44 Cl4 Dy2 N8 O4 -","- C38 H44 Cl4 Dy2 N8 O4 -","1","0.5","","Zhong, Fu-Hui; Liu, Chen-Yang; Zheng, Xiao-Yue; Cao, Chen; Peng, Yan; Hu, Zhao-Bo; Liu, Sui-Jun; Wen, He-Rui","Base and Anion Regulated Synthesis of Dysprosium Compounds","CrystEngComm","2025","","","","","10.1039/D5CE00940E","","","0.71073","MoKα","","0.0304","0.0265","","","0.0568","0.0594","","","","","","1.198","","","","has coordinates","303484","2025-11-28","23:37:12",""
"7251358","8.3012","0.0003","12.6353","0.0005","14.2845","0.0005","68.395","0.001","83.588","0.001","75.922","0.001","1350.77","0.09","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 Dy2 F12 N8 O16 S4 -","- C40 H42 Dy2 F12 N8 O16 S4 -","- C40 H42 Dy2 F12 N8 O16 S4 -","1","0.5","","Zhong, Fu-Hui; Liu, Chen-Yang; Zheng, Xiao-Yue; Cao, Chen; Peng, Yan; Hu, Zhao-Bo; Liu, Sui-Jun; Wen, He-Rui","Base and Anion Regulated Synthesis of Dysprosium Compounds","CrystEngComm","2025","","","","","10.1039/D5CE00940E","","","0.71073","MoKα","","0.0405","0.0286","","","0.0542","0.0601","","","","","","1.059","","","","has coordinates","303484","2025-11-28","23:37:12",""
"7251359","8.999","0.0005","15.0419","0.0009","17.1711","0.0012","90","","95.888","0.002","90","","2312.1","0.2","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Dy N7 O9 -","- C18 H18 Dy N7 O9 -","- C72 H72 Dy4 N28 O36 -","4","1","","Zhong, Fu-Hui; Liu, Chen-Yang; Zheng, Xiao-Yue; Cao, Chen; Peng, Yan; Hu, Zhao-Bo; Liu, Sui-Jun; Wen, He-Rui","Base and Anion Regulated Synthesis of Dysprosium Compounds","CrystEngComm","2025","","","","","10.1039/D5CE00940E","","","0.71073","MoKα","","0.0325","0.0221","","","0.0461","0.0524","","","","","","1.081","","","","has coordinates","303484","2025-11-28","23:37:13",""
"7251360","9.5617","0.0012","10.833","0.0013","11.9272","0.0014","96.483","0.005","106.465","0.005","99.458","0.005","1151.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 F6 N2 O2 -","- C26 H22 F6 N2 O2 -","- C52 H44 F12 N4 O4 -","2","1","","Akhtar, Nasim; Lekanne Deprez, Siebe; Jayawardana, Senuri G.; Davis, Macallister; Fonseca Guerra, Célia; García-López, Víctor","From amides to thioamides: understanding enhanced anion binding in acyclic receptors","RSC Advances","2025","15","55","46908","46913","10.1039/D5RA08433D","","","0.71073","MoKα","","0.0956","0.0579","","","0.149","0.1748","","","","","","1.027","","","","has coordinates","303490","2025-11-29","02:15:10",""
"7251361","9.5813","0.0014","27.725","0.004","9.8074","0.0015","90","","114.246","0.006","90","","2375.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cl0 N2 O2 -","- C30 H28 N2 O2 -","- C120 H112 N8 O8 -","4","1","","Akhtar, Nasim; Lekanne Deprez, Siebe; Jayawardana, Senuri G.; Davis, Macallister; Fonseca Guerra, Célia; García-López, Víctor","From amides to thioamides: understanding enhanced anion binding in acyclic receptors","RSC Advances","2025","15","55","46908","46913","10.1039/D5RA08433D","","","1.54184","CuKα","","0.0423","0.0384","","","0.1035","0.1092","","","","","","1.093","","","","has coordinates","303490","2025-11-29","02:15:13",""
"7251362","7.1404","0.0007","8.9074","0.0011","9.3379","0.001","72.15","0.01","81.114","0.009","85.545","0.009","558.25","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Cl F N O3 -","- C12 H9 Cl F N O3 -","- C24 H18 Cl2 F2 N2 O6 -","2","1","","Kumar, Satyanand; Kumar, Ravi; Mishra, Rakesh K.; Awasthi, Satish Kumar","Exploring weak noncovalent interactions in a few halo-substituted quinolones.","RSC advances","2025","15","44","37216","37225","10.1039/d5ra03605d","","","0.71073","MoKα","","0.1451","0.0885","","","0.2237","0.2432","","","","","","1.144","","","","has coordinates","303491","2025-11-29","11:53:04",""
"7251363","9.0561","0.0016","9.0599","0.0013","9.325","0.0014","69.818","0.014","69.854","0.015","71.629","0.015","657.2","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 Cl F N O3 -","- C14 H13 Cl F N O3 -","- C28 H26 Cl2 F2 N2 O6 -","2","1","","Kumar, Satyanand; Kumar, Ravi; Mishra, Rakesh K.; Awasthi, Satish Kumar","Exploring weak noncovalent interactions in a few halo-substituted quinolones.","RSC advances","2025","15","44","37216","37225","10.1039/d5ra03605d","","","0.71073","MoKα","","0.0863","0.0654","","","0.2126","0.2477","","","","","","0.811","","","","has coordinates","303491","2025-11-29","11:53:05",""
"7251364","7.8889","0.0007","9.0771","0.0009","12.3827","0.0012","99.027","0.008","97.434","0.008","107.192","0.008","821.95","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 Cl F N O6 -","- C14 H19 Cl F N O6 -","- C28 H38 Cl2 F2 N2 O12 -","2","1","","Kumar, Satyanand; Kumar, Ravi; Mishra, Rakesh K.; Awasthi, Satish Kumar","Exploring weak noncovalent interactions in a few halo-substituted quinolones.","RSC advances","2025","15","44","37216","37225","10.1039/d5ra03605d","","","0.71073","MoKα","","0.0615","0.0469","","","0.139","0.1536","","","","","","0.908","","","","has coordinates","303491","2025-11-29","11:53:05",""
"7251365","7.1789","0.0008","8.4907","0.0007","9.3255","0.0008","73.107","0.008","71.053","0.009","76.278","0.009","507.98","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H7 Cl F N O3 -","- C11 H7 Cl F N O3 -","- C22 H14 Cl2 F2 N2 O6 -","2","1","","Kumar, Satyanand; Kumar, Ravi; Mishra, Rakesh K.; Awasthi, Satish Kumar","Exploring weak noncovalent interactions in a few halo-substituted quinolones.","RSC advances","2025","15","44","37216","37225","10.1039/d5ra03605d","","","0.71073","MoKα","","0.0584","0.0421","","","0.1085","0.1197","","","","","","1.026","","","","has coordinates","303491","2025-11-29","11:53:06",""
"7251366","11.992","0.0008","25.5932","0.0018","8.1786","0.0007","90","","91.831","0.006","90","","2508.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl F N O3 -","- C13 H11 Cl F N O3 -","- C104 H88 Cl8 F8 N8 O24 -","8","2","","Kumar, Satyanand; Kumar, Ravi; Mishra, Rakesh K.; Awasthi, Satish Kumar","Exploring weak noncovalent interactions in a few halo-substituted quinolones.","RSC advances","2025","15","44","37216","37225","10.1039/d5ra03605d","","","0.71073","MoKα","","0.1426","0.0818","","","0.2054","0.2462","","","","","","0.992","","","","has coordinates","303491","2025-11-29","11:53:06",""
"7251367","4.3523","0.0005","15.2232","0.0016","22.9957","0.0018","90","","92.056","0.008","90","","1522.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cl F N O4 -","- C14 H15 Cl F N O4 -","- C56 H60 Cl4 F4 N4 O16 -","4","1","","Kumar, Satyanand; Kumar, Ravi; Mishra, Rakesh K.; Awasthi, Satish Kumar","Exploring weak noncovalent interactions in a few halo-substituted quinolones.","RSC advances","2025","15","44","37216","37225","10.1039/d5ra03605d","","","0.71073","MoKα","","0.114","0.0641","","","0.1442","0.1752","","","","","","1.03","","","","has coordinates","303491","2025-11-29","11:53:07",""
"7251368","10.4187","0.0009","11.4345","0.001","12.6311","0.0011","90","","101.018","0.008","90","","1477","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl F N O3 -","- C15 H15 Cl F N O3 -","- C60 H60 Cl4 F4 N4 O12 -","4","1","","Kumar, Satyanand; Kumar, Ravi; Mishra, Rakesh K.; Awasthi, Satish Kumar","Exploring weak noncovalent interactions in a few halo-substituted quinolones.","RSC advances","2025","15","44","37216","37225","10.1039/d5ra03605d","","","0.71073","MoKα","","0.0629","0.051","","","0.1743","0.1931","","","","","","0.754","","","","has coordinates","303491","2025-11-29","11:53:07",""
"7251369","8.2284","0.0019","8.97","0.002","9.4084","0.0012","69.237","0.016","74.254","0.015","69.76","0.02","600.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Cl F N O3 -","- C13 H11 Cl F N O3 -","- C26 H22 Cl2 F2 N2 O6 -","2","1","","Kumar, Satyanand; Kumar, Ravi; Mishra, Rakesh K.; Awasthi, Satish Kumar","Exploring weak noncovalent interactions in a few halo-substituted quinolones.","RSC advances","2025","15","44","37216","37225","10.1039/d5ra03605d","","","0.71073","MoKα","","0.0655","0.0516","","","0.1423","0.1527","","","","","","1.053","","","","has coordinates","303491","2025-11-29","11:53:07",""
"7251370","6.291","0.0011","8.2326","0.0014","17.968","0.003","90","0.014","97.441","0.014","90","0.014","922.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","QUINOLONE","","","- C10 H5 Cl F N O3 -","- C10 H5 Cl F N O3 -","- C40 H20 Cl4 F4 N4 O12 -","4","1","","Kumar, Satyanand; Kumar, Ravi; Mishra, Rakesh K.; Awasthi, Satish Kumar","Exploring weak noncovalent interactions in a few halo-substituted quinolones.","RSC advances","2025","15","44","37216","37225","10.1039/d5ra03605d","","","0.71073","MoKα","","0.1107","0.0631","","","0.1667","0.2262","","","","","","0.912","","","","has coordinates","303491","2025-11-29","11:53:07",""
"7251371","8.8502","0.0014","20.148","0.003","9.0629","0.0014","90","","108.764","0.017","90","","1530.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","QUINOLONE","","","- C15 H11 Cl F N4 O3 -","- C15 H11 Cl F N4 O3 -","- C60 H44 Cl4 F4 N16 O12 -","4","1","","Kumar, Satyanand; Kumar, Ravi; Mishra, Rakesh K.; Awasthi, Satish Kumar","Exploring weak noncovalent interactions in a few halo-substituted quinolones.","RSC advances","2025","15","44","37216","37225","10.1039/d5ra03605d","","","0.71073","MoKα","","0.2713","0.0896","","","0.1878","0.3029","","","","","","0.96","","","","has coordinates","303491","2025-11-29","11:53:08",""
"7251372","7.2079","0.001","27.556","0.004","9.2363","0.0013","90","","92.329","0.012","90","","1833","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl4 F N O3 -","- C15 H14 Cl4 F N O3 -","- C60 H56 Cl16 F4 N4 O12 -","4","1","","Kumar, Satyanand; Kumar, Ravi; Mishra, Rakesh K.; Awasthi, Satish Kumar","Exploring weak noncovalent interactions in a few halo-substituted quinolones.","RSC advances","2025","15","44","37216","37225","10.1039/d5ra03605d","","","0.71073","MoKα","","0.216","0.0991","","","0.2391","0.29","","","","","","1.072","","","","has coordinates,has disorder","303491","2025-11-29","11:53:08",""
"7251373","10.2295","0.001","16.2593","0.0011","9.9934","0.0009","90","","113.612","0.011","90","","1523","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Cl F N O3 -","- C16 H17 Cl F N O3 -","- C64 H68 Cl4 F4 N4 O12 -","4","1","","Kumar, Satyanand; Kumar, Ravi; Mishra, Rakesh K.; Awasthi, Satish Kumar","Exploring weak noncovalent interactions in a few halo-substituted quinolones.","RSC advances","2025","15","44","37216","37225","10.1039/d5ra03605d","","","0.71073","MoKα","","0.0874","0.0665","","","0.1685","0.1836","","","","","","1.043","","","","has coordinates","303491","2025-11-29","11:53:08",""
"7251374","10.967","0.002","26.809","0.005","9.828","0.002","90","","96.41","0.03","90","","2871.5","1","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 N2 Se -","- C39 H28 N2 Se -","- C156 H112 N8 Se4 -","4","1","","Issac, Jerome; Priyadharsan, R. Rameshbabu; Chidambaranathan, Kamalanathan; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi","Phenyl selenoxide functionalized TPA/TPE π-conjugated imidazo[1,2-<i>a</i>]pyridine: a fluorescent probe for the selective detection of water in organic solvents.","RSC advances","2025","15","52","44205","44212","10.1039/d5ra07283b","","","0.63","synchrotron","","0.0488","0.0402","","","0.1056","0.1107","","","","","","1.052","","","","has coordinates","303492","2025-11-29","11:54:29",""
"7251375","32.7304","0.0013","4.4327","0.0002","32.3534","0.0013","90","","96.961","0.004","90","","4659.4","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C224 H208 N16 O32 -","8","1","","Tanbakouchian, Zahra; Zolfigol, Mohammad Ali; Tonekaboni, Maryam-Sadat; Kozakiewicz-Piekarz, Anna; Bikas, Rahman","Regioselective Cu(i)-catalyzed intramolecular hydroacylation and dimerization of propargylarylaldehydes.","RSC advances","2025","15","52","44254","44259","10.1039/d5ra07533e","","","1.54184","CuKα","","0.132","0.0938","","","0.2525","0.286","","","","","","1.037","","","","has coordinates","303493","2025-11-29","11:54:48",""
"7251376","5.8421","0.0003","9.9787","0.0005","10.4247","0.0005","90","","101.544","0.002","90","","595.43","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S-benzyl-(N,N-dimethyl-carbonyl)carbamothioate","","- C11 H14 N2 O2 S -","- C11 H14 N2 O2 S -","- C22 H28 N4 O4 S2 -","2","1","","Shandu, Malibongwe P.; Ngwenya, Andile R.; Lamola, Jairus L.; Moshapo, Paseka T.","Base-mediated three-component system for the synthesis of <i>S</i>-substituted <i>N</i>-acyl ureas.","RSC advances","2025","15","52","44246","44251","10.1039/d5ra05563f","","","0.71073","MoKα","","0.0445","0.0396","","","0.0977","0.1028","","","","","","1.044","","","","has coordinates","303494","2025-11-29","11:55:04",""
"7251377","7.24314","0.00005","6.13919","0.00004","8.70641","0.00006","90","","101.075","0.0005","90","","379.938","0.005","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 As N O3 -","- C6 H8 As N O3 -","- C12 H16 As2 N2 O6 -","2","1","","Balmohammadi, Yaser; Metry, Eduardo; Malaspina, Lorraine A.; Cametti, Georgia; Nakamura, Yuiga; Grabowsky, Simon","Interplay between geometry, electron density, and polarizability of the controversial drug atoxyl in crystal and biological environments","RSC Advances","2025","15","54","46749","46760","10.1039/D5RA05936D","","x-ray","0.2483","synchrotron","","0.0088","0.0087","","","0.0205","0.0205","","","","","","1.3929","","","","has coordinates","303495","2025-11-29","12:00:16",""
"7251378","7.24488","0.00014","6.14439","0.00011","8.7053","0.00017","90","","101.106","0.0016","90","","380.262","0.013","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 As N O3 -","- C6 H8 As N O3 -","- C12 H16 As2 N2 O6 -","2","1","","Balmohammadi, Yaser; Metry, Eduardo; Malaspina, Lorraine A.; Cametti, Georgia; Nakamura, Yuiga; Grabowsky, Simon","Interplay between geometry, electron density, and polarizability of the controversial drug atoxyl in crystal and biological environments","RSC Advances","2025","15","54","46749","46760","10.1039/D5RA05936D","","x-ray","0.2483","synchrotron","","0.0132","0.0127","","","0.0331","0.0334","","","","","","0.8338","","","","has coordinates","303495","2025-11-29","12:00:17",""
"7251379","7.23374","0.00004","6.13187","0.00002","8.69579","0.00005","90","","101.094","0.0006","90","","378.505","0.003","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 As N O3 -","- C6 H8 As N O3 -","- C12 H16 As2 N2 O6 -","2","1","","Balmohammadi, Yaser; Metry, Eduardo; Malaspina, Lorraine A.; Cametti, Georgia; Nakamura, Yuiga; Grabowsky, Simon","Interplay between geometry, electron density, and polarizability of the controversial drug atoxyl in crystal and biological environments","RSC Advances","2025","15","54","46749","46760","10.1039/D5RA05936D","","x-ray","1.54184","CuKα","","0.0069","0.0069","","","0.0164","0.0164","","","","","","1.2662","","","","has coordinates","303495","2025-11-29","12:00:17",""
"7251380","7.243","0.00008","6.13597","0.00007","8.70648","0.00009","90","","101.07","0.0009","90","","379.741","0.007","100.15","","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 As N O3 -","- C6 H8 As N O3 -","- C12 H16 As2 N2 O6 -","2","1","","Balmohammadi, Yaser; Metry, Eduardo; Malaspina, Lorraine A.; Cametti, Georgia; Nakamura, Yuiga; Grabowsky, Simon","Interplay between geometry, electron density, and polarizability of the controversial drug atoxyl in crystal and biological environments","RSC Advances","2025","15","54","46749","46760","10.1039/D5RA05936D","","x-ray","0.2483","synchrotron","","0.0111","0.0109","","","0.0232","0.0233","","","","","","0.9947","","","","has coordinates","303495","2025-11-29","12:00:17",""
"7251381","7.24395","0.00006","6.13599","0.00004","8.70666","0.00006","90","","101.071","0.0006","90","","379.799","0.005","100.15","","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 As N O3 -","- C6 H8 As N O3 -","- C12 H16 As2 N2 O6 -","2","1","","Balmohammadi, Yaser; Metry, Eduardo; Malaspina, Lorraine A.; Cametti, Georgia; Nakamura, Yuiga; Grabowsky, Simon","Interplay between geometry, electron density, and polarizability of the controversial drug atoxyl in crystal and biological environments","RSC Advances","2025","15","54","46749","46760","10.1039/D5RA05936D","","x-ray","0.2483","synchrotron","","0.0087","0.0086","","","0.02","0.02","","","","","","1.0696","","","","has coordinates","303495","2025-11-29","12:00:17",""
"7251382","7.23467","0.00005","6.13615","0.00004","8.69951","0.00005","90","","101.04","0.0006","90","","379.051","0.004","100.15","","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 As N O3 -","- C6 H8 As N O3 -","- C12 H16 As2 N2 O6 -","2","1","","Balmohammadi, Yaser; Metry, Eduardo; Malaspina, Lorraine A.; Cametti, Georgia; Nakamura, Yuiga; Grabowsky, Simon","Interplay between geometry, electron density, and polarizability of the controversial drug atoxyl in crystal and biological environments","RSC Advances","2025","15","54","46749","46760","10.1039/D5RA05936D","","","0.71073","MoKα","","0.0104","0.0094","","","0.0199","0.0201","","","","","","0.8278","","","","has coordinates","303495","2025-11-29","12:00:17",""
"7251383","7.24136","0.00005","6.13653","0.00004","8.70452","0.00006","90","","101.074","0.0007","90","","379.599","0.005","100","","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 As N O3 -","- C6 H8 As N O3 -","- C12 H16 As2 N2 O6 -","2","1","","Balmohammadi, Yaser; Metry, Eduardo; Malaspina, Lorraine A.; Cametti, Georgia; Nakamura, Yuiga; Grabowsky, Simon","Interplay between geometry, electron density, and polarizability of the controversial drug atoxyl in crystal and biological environments","RSC Advances","2025","15","54","46749","46760","10.1039/D5RA05936D","","x-ray","0.2483","synchrotron","","0.0149","0.0144","","","0.0325","0.0325","","","","","","0.9866","","","","has coordinates","303495","2025-11-29","12:00:17",""
"7251384","14.7809","0.0014","14.8375","0.0016","15.4905","0.0018","115.129","0.011","114.546","0.01","92.324","0.008","2698.9","0.7","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H58 Cu F6 N4 O8 P -","- C62 H58 Cu F6 N4 O8 P -","- C124 H116 Cu2 F12 N8 O16 P2 -","2","1","","Cetin, M. Mustafa; Mazumdar, Arindam; Cordes, David B.; Fidan, Vahap Gazi; Yang, Zhen; Mayer, Michael F.","Rotaxane synthesis via a dynamic [2]catenane-ring-opening, axle-cleaving double cross metathesis","RSC Advances","2025","15","55","47117","47127","10.1039/D5RA07142A","","x-ray","0.71073","MoKα","","0.1699","0.0754","","","0.1168","0.1541","","","","","","1.004","","","","has coordinates,has disorder","303995","2025-12-02","02:41:54",""
"7251385","16.7265","0.0008","7.8498","0.0004","43.035","0.002","90","","96.345","0.005","90","","5615.9","0.5","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H58 Cu F6 N4 O8 P -","- C62 H58 Cu F6 N4 O8 P -","- C248 H232 Cu4 F24 N16 O32 P4 -","4","1","","Cetin, M. Mustafa; Mazumdar, Arindam; Cordes, David B.; Fidan, Vahap Gazi; Yang, Zhen; Mayer, Michael F.","Rotaxane synthesis via a dynamic [2]catenane-ring-opening, axle-cleaving double cross metathesis","RSC Advances","2025","15","55","47117","47127","10.1039/D5RA07142A","","x-ray","0.71073","MoKα","","0.1679","0.1472","","","0.3117","0.3205","","","","","","1.259","","","","has coordinates,has disorder","303995","2025-12-02","02:42:06",""
"7251386","12.68","0.005","11.488","0.008","20.223","0.011","90","","90","","90","","2946","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Azines","(1E,2E)-bis[1-(4-nitrophenyl)-ethylidene]-hydrazine","","- C16 H14 N4 O4 -","- C16 H14 N4 O4 -","- C128 H112 N32 O32 -","8","1","","Junior, Ronaldo Gonçalves de Freitas; Duarte, Vitor; Almeida, Leonardo R.; Santana Wenceslau, Patricia Rafaella; Aquino, Gilberto Benedito; Valverde, Clodoaldo; Napolitano, Hamilton","Comprehensive Structural Insights into Nitro-Substituted Azines as Potential Antioxidant Additives for Biodiesel","CrystEngComm","2025","","","","","10.1039/D5CE00915D","","","0.67019","Synchrotron","","0.0446","0.0434","","","0.1248","0.1259","","","","","","1.064","","","","has coordinates","304005","2025-12-02","23:51:13",""
"7251387","9.324","0.0017","9.384","0.0011","9.575","0.001","105.669","0.005","105.283","0.008","116.786","0.004","643.68","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Azines","(1E,2E)-1-benzylidene-2-[1-(4-nitrophenyl)-ethylidene]-hydrazine","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C30 H26 N6 O4 -","2","1","","Junior, Ronaldo Gonçalves de Freitas; Duarte, Vitor; Almeida, Leonardo R.; Santana Wenceslau, Patricia Rafaella; Aquino, Gilberto Benedito; Valverde, Clodoaldo; Napolitano, Hamilton","Comprehensive Structural Insights into Nitro-Substituted Azines as Potential Antioxidant Additives for Biodiesel","CrystEngComm","2025","","","","","10.1039/D5CE00915D","","","0.67019","Synchrotron","","0.0504","0.0501","","","0.1286","0.129","","","","","","1.099","","","","has coordinates","304005","2025-12-02","23:51:14",""
"7251388","5.0757","0.0003","19.3352","0.0011","20.7883","0.0012","90","","90","","90","","2040.2","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Cl N3 O6 S -","- C19 H22 Cl N3 O6 S -","- C76 H88 Cl4 N12 O24 S4 -","4","1","","Nomnganga, Yamkela; Oluwole, David O.; Venter, Gerhard A.; Benyei, Attila; Bathori, Nikoletta B.","Exploring Desolvation-Driven Polymorph Formation via Multicomponent Crystals of Furosemide","CrystEngComm","2025","","","","","10.1039/D5CE01033K","","","0.71073","MoKα","","0.0377","0.0347","","","0.083","0.0846","","","","","","1.15","","","","has coordinates,has disorder","304018","2025-12-03","23:43:05",""
"7251389","14.1621","0.0007","9.6366","0.0005","14.7725","0.0007","90","","100.799","0.001","90","","1980.37","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl N3 O5 S -","- C19 H20 Cl N3 O5 S -","- C76 H80 Cl4 N12 O20 S4 -","4","1","","Nomnganga, Yamkela; Oluwole, David O.; Venter, Gerhard A.; Benyei, Attila; Bathori, Nikoletta B.","Exploring Desolvation-Driven Polymorph Formation via Multicomponent Crystals of Furosemide","CrystEngComm","2025","","","","","10.1039/D5CE01033K","","","0.71073","MoKα","","0.031","0.0288","","","0.0778","0.0793","","","","","","1.053","","","","has coordinates","304018","2025-12-03","23:43:10",""
"7251390","5.2827","0.0011","11.54","0.002","16.446","0.003","69.81","0.03","85.87","0.03","79.15","0.03","924.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 Cl N3 O6 S -","- C17 H18 Cl N3 O6 S -","- C34 H36 Cl2 N6 O12 S2 -","2","1","","Nomnganga, Yamkela; Oluwole, David O.; Venter, Gerhard A.; Benyei, Attila; Bathori, Nikoletta B.","Exploring Desolvation-Driven Polymorph Formation via Multicomponent Crystals of Furosemide","CrystEngComm","2025","","","","","10.1039/D5CE01033K","","","0.71073","MoKα","","0.0434","0.0337","","","0.0793","0.0839","","","","","","1.035","","","","has coordinates,has disorder","304018","2025-12-03","23:43:12",""
"7251391","8.4206","0.0005","10.9902","0.0007","12.1116","0.0008","63.633","0.001","70.787","0.001","78.213","0.001","946.08","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl N3 O5 S -","- C18 H18 Cl N3 O5 S -","- C36 H36 Cl2 N6 O10 S2 -","2","1","","Nomnganga, Yamkela; Oluwole, David O.; Venter, Gerhard A.; Benyei, Attila; Bathori, Nikoletta B.","Exploring Desolvation-Driven Polymorph Formation via Multicomponent Crystals of Furosemide","CrystEngComm","2025","","","","","10.1039/D5CE01033K","","","0.71073","MoKα","","0.0327","0.0302","","","0.0793","0.0808","","","","","","1.038","","","","has coordinates","304018","2025-12-03","23:43:13",""
"7251392","7.2607","0.0003","11.1014","0.0005","12.511","0.0006","107.297","0.001","91.11","0.001","101.344","0.001","940.75","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl N3 O5 S -","- C18 H18 Cl N3 O5 S -","- C36 H36 Cl2 N6 O10 S2 -","2","1","","Nomnganga, Yamkela; Oluwole, David O.; Venter, Gerhard A.; Benyei, Attila; Bathori, Nikoletta B.","Exploring Desolvation-Driven Polymorph Formation via Multicomponent Crystals of Furosemide","CrystEngComm","2025","","","","","10.1039/D5CE01033K","","","0.71073","MoKα","","0.0354","0.0321","","","0.0835","0.0859","","","","","","1.046","","","","has coordinates","304018","2025-12-03","23:43:14",""
"7251407","4.1764","0.0004","7.4068","0.001","12.223","0.0013","90.144","0.01","97.506","0.009","91.316","0.01","374.76","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","(E)-methyl pyruvate semicarbazone","methyl (E)-2-(2-carbamoylhydrazineylidene)propanoate","","- C5 H9 N3 O3 -","- C5 H9 N3 O3 -","- C10 H18 N6 O6 -","2","1","","Raičević, Vidak; Radulović, Niko S.; Banić, Nemanja; Leovac, Vukadin M.; Rodić, Marko V.","Competing hydrogen bonding and acyclic π-stacking between hydrogen-bridged quasi-rings in Z- and E-methyl pyruvate semicarbazone: a quantitative interaction energy analysis","CrystEngComm","2025","27","47","7721","7733","10.1039/D5CE00911A","","x-ray","1.54184","CuKα","","0.0423","0.0384","","","0.1099","0.116","","","","","","1.087","","","","has coordinates","304030","2025-12-04","18:43:14",""
"7251408","36.4109","0.001","23.9057","0.0009","7.0463","0.0002","90","","90","","90","","6133.3","0.3","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","(Z)-methyl pyruvate semicarbazone","Methyl (Z)-2-(2-carbamoylhydrazineylidene)propanoate","","- C5 H9 N3 O3 -","- C5 H9 N3 O3 -","- C160 H288 N96 O96 -","32","2","","Raičević, Vidak; Radulović, Niko S.; Banić, Nemanja; Leovac, Vukadin M.; Rodić, Marko V.","Competing hydrogen bonding and acyclic π-stacking between hydrogen-bridged quasi-rings in Z- and E-methyl pyruvate semicarbazone: a quantitative interaction energy analysis","CrystEngComm","2025","27","47","7721","7733","10.1039/D5CE00911A","","x-ray","0.71073","MoKα","","0.0541","0.0383","","","0.0851","0.0929","","","","","","1.036","","","","has coordinates","304030","2025-12-04","18:43:16",""
"7251409","18.08322","0.00013","8.31078","0.00006","25.0348","0.0002","90","","102.731","0.0008","90","","3669.87","0.05","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Cl N O4 -","- C22 H18 Cl N O4 -","- C176 H144 Cl8 N8 O32 -","8","1","","Bundulis, Arturs; Leduskrasts, Kaspars; Sapne, Anete","Fifth-order nonlinear optical properties of through space charge transfer pyridinium salt","RSC Advances","2025","15","56","48109","48115","10.1039/D5RA07294H","","x-ray","1.54184","CuKα","","0.0888","0.0861","","","0.2319","0.2346","","","","","","1.2895","","","","has coordinates","304067","2025-12-06","02:40:34",""
"7251410","11.635","0.002","6.5838","0.0013","17.079","0.003","90","","91.82","0.03","90","","1307.6","0.4","153","2","153.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11.7 N O5.35 Pb -","- C11 H11.698 N O5.349 Pb -","- C44 H46.792 N4 O21.396 Pb4 -","4","1","","Cao, Shilin; Zhao, Yubin; Yao, Gengyang; Gao, Peiwei; Shi, Xiaofeng","Study on the mechanism of morphology regulation of Pb-based MOFs and catalytic thermal decomposition mechanism of energetic materials","CrystEngComm","2025","","","","","10.1039/D5CE00889A","","","0.71073","MoKα","","0.0386","0.0357","","","0.0723","0.0738","","","","","","1.122","","","","has coordinates","304132","2025-12-08","23:42:19",""
"7251413","12.7903","0.0006","23.181","0.0012","7.0725","0.0003","90","","99.762","0.002","90","","2066.58","0.17","100.01","","100.01","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H16 Cl F4 I2 N -","- C16 H16 Cl F4 I2 N -","- C64 H64 Cl4 F16 I8 N4 -","4","1","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0169","0.0163","","","0.0353","0.0358","","","","","","1.0409","","","","has coordinates","304134","2025-12-08","23:55:45",""
"7251414","23.0021","0.0008","8.6231","0.0003","23.1475","0.0008","90","","90","","90","","4591.3","0.3","150","2","150.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H22 F4 I3 N O -","- C18 H22 F4 I3 N O -","- C144 H176 F32 I24 N8 O8 -","8","1","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0576","0.033","","","0.0466","0.0525","","","","","","1.0309","","","","has coordinates,has disorder","304134","2025-12-08","23:55:47",""
"7251415","26.159","0.003","7.2696","0.0008","24.852","0.003","90","","119.486","0.004","90","","4113.9","0.8","99.99","","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H35 Br2 F8 I4 N3 -","- C34 H35 Br2 F8 I4 N3 -","- C136 H140 Br8 F32 I16 N12 -","4","0.5","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0233","0.0182","","","0.0355","0.0385","","","","","","1.0504","","","","has coordinates,has disorder","304134","2025-12-08","23:55:48",""
"7251416","12.3208","0.0003","13.9375","0.0004","14.1774","0.0004","90","","92.1318","0.0008","90","","2432.87","0.11","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 F12 I8 N2 -","- C38 H32 F12 I8 N2 -","- C76 H64 F24 I16 N4 -","2","0.5","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0261","0.0226","","","0.0467","0.0493","","","","","","1.0282","","","","has coordinates","304134","2025-12-08","23:55:50",""
"7251417","14.5552","0.0007","13.2366","0.0006","24.2904","0.0009","90","","107.012","0.002","90","","4475","0.3","100.01","","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H64 Br4 F20 I10 N4 -","- C70 H64 Br4 F20 I10 N4 -","- C140 H128 Br8 F40 I20 N8 -","2","0.5","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0601","0.0434","","","0.0885","0.1035","","","","","","1.1046","","","","has coordinates","304134","2025-12-08","23:55:50",""
"7251418","12.1906","0.0012","14.759","0.0013","18.6646","0.0017","112.829","0.003","103.557","0.004","91.009","0.004","2986.7","0.5","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C98 H128 F12 I14 N8 -","- C98 H128 F12 I14 N8 -","- C98 H128 F12 I14 N8 -","1","0.5","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0248","0.0192","","","0.0383","0.0427","","","","","","1.0804","","","","has coordinates","304134","2025-12-08","23:55:51",""
"7251419","25.683","0.002","7.3274","0.0005","24.0892","0.0019","90","","118.023","0.003","90","","4001.8","0.5","99.99","","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H35 Cl2 F8 I4 N3 -","- C34 H35 Cl2 F8 I4 N3 -","- C136 H140 Cl8 F32 I16 N12 -","4","0.5","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0367","0.0305","","","0.0662","0.0701","","","","","","1.0654","","","","has coordinates,has disorder","304134","2025-12-08","23:55:51",""
"7251420","12.8977","0.0009","23.6266","0.0016","7.0656","0.0005","90","","98.959","0.003","90","","2126.8","0.3","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H16 Br F4 I2 N -","- C16 H16 Br F4 I2 N -","- C64 H64 Br4 F16 I8 N4 -","4","1","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0239","0.0195","","","0.0368","0.0397","","","","","","1.0502","","","","has coordinates","304134","2025-12-08","23:55:52",""
"7251421","7.4201","0.0006","16.9744","0.0013","18.5377","0.0014","90","","101.019","0.003","90","","2291.8","0.3","99.99","","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl F4 I2 N O -","- C19 H22 Cl F4 I2 N O -","- C76 H88 Cl4 F16 I8 N4 O4 -","4","1","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0443","0.0312","","","0.0588","0.0708","","","","","","1.0616","","","","has coordinates","304134","2025-12-08","23:55:52",""
"7251422","22.5735","0.0016","13.3979","0.0009","21.0751","0.0013","90","","90.252","0.003","90","","6373.8","0.7","99.98","","99.98","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C49 H49 Cl6 F12 I6 N3 -","- C49 H49 Cl6 F12 I6 N3 -","- C196 H196 Cl24 F48 I24 N12 -","4","1","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0408","0.0344","","","0.0635","0.0674","","","","","","1.0398","","","","has coordinates","304134","2025-12-08","23:55:53",""
"7251423","22.1473","0.0006","23.2966","0.0007","13.1846","0.0004","90","","90","","90","","6802.7","0.3","99.95","","99.95","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H48 Br3 F16 I8 N3 -","- C54 H48 Br3 F16 I8 N3 -","- C216 H192 Br12 F64 I32 N12 -","4","1","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0407","0.0306","","","0.052","0.0564","","","","","","1.0443","","","","has coordinates","304134","2025-12-08","23:55:53",""
"7251424","26.7504","0.0018","7.3621","0.0005","25.775","0.003","90","","121.075","0.002","90","","4347.6","0.7","150","2","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Cl2 F8 I6 N2 -","- C33 H34 Cl2 F8 I6 N2 -","- C132 H136 Cl8 F32 I24 N8 -","4","0.5","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0307","0.0273","","","0.0628","0.0643","","","","","","1.0477","","","","has coordinates,has disorder","304134","2025-12-08","23:55:54",""
"7251425","26.8437","0.001","7.2678","0.0003","25.9199","0.0014","90","","121.183","0.001","90","","4326.2","0.3","150","2","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H67 F16 I12 N5 -","- C66 H67 F16 I12 N5 -","- C132 H134 F32 I24 N10 -","2","0.25","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0253","0.0223","","","0.0543","0.0557","","","","","","1.0521","","","","has coordinates,has disorder","304134","2025-12-08","23:55:54",""
"7251426","14.9831","0.0009","13.9458","0.001","22.4748","0.0014","90","","91.27","0.002","90","","4695","0.5","150","2","150.17","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H82 F16 I12 N4 O3 -","- C73 H82 F16 I12 N4 O3 -","- C146 H164 F32 I24 N8 O6 -","2","1","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0423","0.0327","","","0.0552","0.0583","","","","","","1.04","","","","has coordinates","304134","2025-12-08","23:55:55",""
"7251427","13.4764","0.0009","13.9493","0.0009","23.8493","0.0016","90","","91.016","0.003","90","","4482.6","0.5","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Cl3 F8 I6 N2 -","- C33 H33 Cl3 F8 I6 N2 -","- C132 H132 Cl12 F32 I24 N8 -","4","1","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0186","0.0178","","","0.0423","0.0428","","","","","","1.0269","","","","has coordinates","304134","2025-12-08","23:55:55",""
"7251428","13.715","0.0014","13.715","0.0014","20.275","0.002","90","","90","","120","","3302.8","0.6","99.99","","99.99","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C33 H35 F8 I7 N2 -","- C33 H35 F8 I7 N2 -","- C99 H105 F24 I21 N6 -","3","0.5","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0173","0.0164","","","0.0369","0.0375","","","","","","1.0256","","","","has coordinates","304134","2025-12-08","23:55:55",""
"7251429","8.6413","0.0009","11.6873","0.0012","12.0058","0.0013","93.193","0.004","98.928","0.004","90.425","0.004","1195.8","0.2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H24 F4 I3 N O -","- C19 H24 F4 I3 N O -","- C38 H48 F8 I6 N2 O2 -","2","1","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0185","0.0159","","","0.0345","0.0366","","","","","","1.0481","","","","has coordinates","304134","2025-12-08","23:55:55",""
"7251430","8.6736","0.0004","22.6193","0.001","22.768","0.0011","90","","90","","90","","4466.9","0.4","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H20 F4 I3 N O -","- C17 H20 F4 I3 N O -","- C136 H160 F32 I24 N8 O8 -","8","1","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0617","0.049","","","0.1214","0.1359","","","","","","1.0783","","","","has coordinates","304134","2025-12-08","23:55:56",""
"7251431","7.4179","0.0005","17.5166","0.0012","18.5531","0.0013","90","","101.397","0.002","90","","2363.2","0.3","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Br F4 I2 N O -","- C19 H22 Br F4 I2 N O -","- C76 H88 Br4 F16 I8 N4 O4 -","4","1","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.0259","0.0206","","","0.0495","0.0525","","","","","","1.047","","","","has coordinates","304134","2025-12-08","23:55:56",""
"7251432","14.6943","0.0006","13.2754","0.0005","24.9791","0.0008","90","","106.903","0.0013","90","","4662.2","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H64 F20 I14 N4 -","- C70 H64 F20 I14 N4 -","- C140 H128 F40 I28 N8 -","2","0.5","","Peloquin, Andrew J.; Pelendage, Lahiruni; Alapati, Srikar; Hanks, Timothy; McMillen, Colin; Pennington, William","When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene","CrystEngComm","2025","","","","","10.1039/D5CE00832H","","","0.71073","MoKα","","0.024","0.0214","","","0.0506","0.0529","","","","","","1.0486","","","","has coordinates","304134","2025-12-08","23:55:56",""
"7717351","18.2951","0.0005","8.766","0.0003","19.481","0.0006","90","","91.9571","0.0005","90","","3122.44","0.17","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 D6 N6 Ni O5 S -","- C34 H30 D6 N6 Ni O5 S -","- C136 H120 D24 N24 Ni4 O20 S4 -","4","1","","Payong, Jae Elise L.; Léonard, Nadia G; Anderson-Sanchez, Lauren M; Ziller, Joseph W.; Yang, Jenny Y.","Synthesis and anion binding properties of (thio)urea functionalized Ni(II)-salen complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","934","941","10.1039/d4dt02683g","","","0.71073","MoKα","","0.027","0.0248","","","0.0687","0.0701","","","","","","1.034","","","","has coordinates","298941","2025-04-05","03:22:14",""
"7717352","23.663","0.003","7.1548","0.0008","25.033","0.003","90","","113.969","0.0017","90","","3872.7","0.8","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 N6 Ni O8 -","- C40 H50 N6 Ni O8 -","- C160 H200 N24 Ni4 O32 -","4","1","","Payong, Jae Elise L.; Léonard, Nadia G; Anderson-Sanchez, Lauren M; Ziller, Joseph W.; Yang, Jenny Y.","Synthesis and anion binding properties of (thio)urea functionalized Ni(II)-salen complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","934","941","10.1039/d4dt02683g","","","0.71073","MoKα","","0.0727","0.0488","","","0.1051","0.1154","","","","","","1.054","","","","has coordinates","298941","2025-04-05","03:22:14",""
"7717353","11.4188","0.0009","15.6518","0.0013","25.611","0.002","97.4909","0.0014","100.716","0.0014","104.649","0.0014","4274.9","0.6","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H120 Cl N13 Ni2 O11 -","- C92 H120 Cl N13 Ni2 O11 -","- C184 H240 Cl2 N26 Ni4 O22 -","2","1","","Payong, Jae Elise L.; Léonard, Nadia G; Anderson-Sanchez, Lauren M; Ziller, Joseph W.; Yang, Jenny Y.","Synthesis and anion binding properties of (thio)urea functionalized Ni(II)-salen complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","934","941","10.1039/d4dt02683g","","","0.71073","MoKα","","0.0616","0.0519","","","0.131","0.1368","","","","","","1.063","","","","has coordinates,has disorder","298941","2025-04-05","03:22:14",""
"7717354","11.6","0.001","16.475","0.0015","21.5479","0.0019","72.4119","0.0014","88.146","0.0015","71.8599","0.0015","3721.7","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C26.83 H28 N4 Ni O3.5 -","- C26.8333 H28 N4 Ni O3.5 -","- C161 H168 N24 Ni6 O21 -","6","3","","Payong, Jae Elise L.; Léonard, Nadia G; Anderson-Sanchez, Lauren M; Ziller, Joseph W.; Yang, Jenny Y.","Synthesis and anion binding properties of (thio)urea functionalized Ni(II)-salen complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","934","941","10.1039/d4dt02683g","","","0.71073","MoKα","","0.076","0.0501","","","0.1261","0.1397","","","","","","1.021","","","","has coordinates,has disorder","298941","2025-04-05","03:22:14",""
"7717355","13.4469","0.0004","14.7117","0.0005","18.4767","0.0007","79.477","0.002","86.598","0.002","88.997","0.002","3587.3","0.2","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35.2 H39.6 N6 Ni O3.6 S3.6 -","- C34 H36 N6 Ni O3 S3 -","- C136 H144 N24 Ni4 O12 S12 -","4","2","","Payong, Jae Elise L.; Léonard, Nadia G; Anderson-Sanchez, Lauren M; Ziller, Joseph W.; Yang, Jenny Y.","Synthesis and anion binding properties of (thio)urea functionalized Ni(II)-salen complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","934","941","10.1039/d4dt02683g","","","1.54178","CuKα","","0.0905","0.0742","","","0.1888","0.2016","","","","","","1.024","","","","has coordinates,has disorder","298941","2025-04-05","03:22:14",""
"7717356","9.324","0.0016","11.1134","0.0018","23.386","0.004","81.921","0.005","85.646","0.005","86.098","0.005","2388.3","0.7","153","","153","","","","","","","","","6","P 1","P 1","1","","","","- C50 H58 Mo N4 O2 S -","- C50 H58 Mo N4 O2 S -","- C100 H116 Mo2 N8 O4 S2 -","2","2","","Leitner, Daniel; Neururer, Florian R.; Hohloch, Stephan","Synthesis and electrochemical properties of molybdenum nitrido complexes supported by redox-active NHC and MIC ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","582","594","10.1039/d4dt02405b","","","0.71073","MoKα","","0.0714","0.0625","","","0.1559","0.1622","","","","","","1.042","","","","has coordinates","298882","2025-04-05","02:55:23",""
"7717357","5.8275","0.0012","19.533","0.004","31.857","0.007","90","","90","","90","","3626.2","1.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H53 Mo N3 O3 -","- C39 H53 Mo N3 O3 -","- C156 H212 Mo4 N12 O12 -","4","1","","Leitner, Daniel; Neururer, Florian R.; Hohloch, Stephan","Synthesis and electrochemical properties of molybdenum nitrido complexes supported by redox-active NHC and MIC ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","582","594","10.1039/d4dt02405b","","","0.71073","MoKα","","0.1378","0.0673","","","0.1204","0.1459","","","","","","0.985","","","","has coordinates","298882","2025-04-05","02:55:23",""
"7717358","33.202","0.004","13.0643","0.001","18.5211","0.0017","90","","93.051","0.003","90","","8022.3","1.4","153","","153","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H55 Mo N3 O3 -","- C44 H55 Mo N3 O3 -","- C352 H440 Mo8 N24 O24 -","8","1","","Leitner, Daniel; Neururer, Florian R.; Hohloch, Stephan","Synthesis and electrochemical properties of molybdenum nitrido complexes supported by redox-active NHC and MIC ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","582","594","10.1039/d4dt02405b","","","0.71073","MoKα","","0.0932","0.054","","","0.1122","0.136","","","","","","1.019","","","","has coordinates,has disorder","298882","2025-04-05","02:55:23",""
"7717359","23.4925","0.0019","9.8772","0.0009","20.6824","0.0015","90","","90","","90","","4799.1","0.7","153","","153","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C45.4 H58 F9 Mo N3 O4.6 -","- C43 H52 F9 Mo N3 O4 -","- C172 H208 F36 Mo4 N12 O16 -","4","0.5","","Leitner, Daniel; Neururer, Florian R.; Hohloch, Stephan","Synthesis and electrochemical properties of molybdenum nitrido complexes supported by redox-active NHC and MIC ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","582","594","10.1039/d4dt02405b","","","0.71073","MoKα","","0.0726","0.0543","","","0.1547","0.1706","","","","","","1.057","","","","has coordinates,has disorder","298882","2025-04-05","02:55:23",""
"7717360","16.754","0.002","17.595","0.002","18.362","0.002","65.177","0.005","68.89","0.005","81.949","0.005","4582.7","0.9","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H68 Mo N4 O2 S -","- C43 H61 Mo N4 O2 S -","- C172 H244 Mo4 N16 O8 S4 -","4","2","","Leitner, Daniel; Neururer, Florian R.; Hohloch, Stephan","Synthesis and electrochemical properties of molybdenum nitrido complexes supported by redox-active NHC and MIC ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","582","594","10.1039/d4dt02405b","","","0.71073","MoKα","","0.1471","0.068","","","0.1481","0.1828","","","","","","0.958","","","","has coordinates","298882","2025-04-05","02:55:23",""
"7717361","10.0665","0.001","10.944","0.0011","30.514","0.003","90.214","0.004","97.829","0.004","94.02","0.004","3321.8","0.6","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C67.25 H92 Cl2 Mo2 N6 O4 -","- C67.25 H92 Cl2 Mo2 N6 O4 -","- C134.5 H184 Cl4 Mo4 N12 O8 -","2","1","","Leitner, Daniel; Neururer, Florian R.; Hohloch, Stephan","Synthesis and electrochemical properties of molybdenum nitrido complexes supported by redox-active NHC and MIC ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","582","594","10.1039/d4dt02405b","","","0.71073","MoKα","","0.0822","0.0776","","","0.1981","0.2007","","","","","","1.138","","","","has coordinates,has disorder","298882","2025-04-05","02:55:23",""
"7717362","13.0612","0.0017","16.0524","0.0018","18.038","0.002","103.777","0.006","100.008","0.006","104.777","0.006","3439.1","0.7","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C72.4 H94 Cl2 Mo2 N4 O4.6 -","- C70 H88 Cl2 Mo2 N4 O4 -","- C140 H176 Cl4 Mo4 N8 O8 -","2","1","","Leitner, Daniel; Neururer, Florian R.; Hohloch, Stephan","Synthesis and electrochemical properties of molybdenum nitrido complexes supported by redox-active NHC and MIC ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","582","594","10.1039/d4dt02405b","","","0.71073","MoKα","","0.1481","0.0718","","","0.152","0.1879","","","","","","0.922","","","","has coordinates","298882","2025-04-05","02:55:23",""
"7717363","19.5656","0.0005","15.4251","0.0004","19.5452","0.0005","90","","112.789","0.001","90","","5438.3","0.2","120","2","120","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C56 H76 Cl3 Co Mo N3 O2 -","- C56 H76 Cl3 Co Mo N3 O2 -","- C224 H304 Cl12 Co4 Mo4 N12 O8 -","4","1","","Leitner, Daniel; Neururer, Florian R.; Hohloch, Stephan","Synthesis and electrochemical properties of molybdenum nitrido complexes supported by redox-active NHC and MIC ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","582","594","10.1039/d4dt02405b","","","0.71073","MoKα","","0.0221","0.0212","","","0.0508","0.0516","","","","","","1.048","","","","has coordinates","298882","2025-04-05","02:55:23",""
"7717364","19.0492","0.0014","19.4669","0.0016","20.4769","0.0017","102.384","0.004","115.02","0.003","101.929","0.004","6330","0.9","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H54.33 Mo N4 O2 S -","- C35 H52 Mo N4 O2 S -","- C210 H312 Mo6 N24 O12 S6 -","6","3","","Leitner, Daniel; Neururer, Florian R.; Hohloch, Stephan","Synthesis and electrochemical properties of molybdenum nitrido complexes supported by redox-active NHC and MIC ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","582","594","10.1039/d4dt02405b","","","0.71073","MoKα","","0.1571","0.0716","","","0.1572","0.1946","","","","","","0.941","","","","has coordinates,has disorder","298882","2025-04-05","02:55:23",""
"7717365","5.9259","0.0003","19.4438","0.0007","31.0776","0.0013","90","","90","","90","","3580.8","0.3","173","","173","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C35 H52 Mo N4 O3 -","- C35 H51.5 Mo N4 O3 -","- C140 H206 Mo4 N16 O12 -","4","0.5","","Leitner, Daniel; Neururer, Florian R.; Hohloch, Stephan","Synthesis and electrochemical properties of molybdenum nitrido complexes supported by redox-active NHC and MIC ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","582","594","10.1039/d4dt02405b","","","0.71073","MoKα","","0.0351","0.0275","","","0.0634","0.0671","","","","","","1.067","","","","has coordinates,has disorder","298882","2025-04-05","02:55:23",""
"7717366","12.3406","0.0006","13.6168","0.0007","15.6475","0.0009","95.467","0.002","107.91","0.002","109.9","0.002","2293.1","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H63 Mo N4 O3 -","- C49 H63 Mo N4 O3 -","- C98 H126 Mo2 N8 O6 -","2","1","","Leitner, Daniel; Neururer, Florian R.; Hohloch, Stephan","Synthesis and electrochemical properties of molybdenum nitrido complexes supported by redox-active NHC and MIC ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","582","594","10.1039/d4dt02405b","","","0.71073","MoKα","","0.0552","0.0432","","","0.1015","0.1114","","","","","","1.04","","","","has coordinates","298882","2025-04-05","02:55:23",""
"7717367","16.7763","0.001","10.5017","0.0006","28.0439","0.0018","90","","96.409","0.002","90","","4909.9","0.5","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42.6 H60 F9 Mo N4 O4.9 -","- C39 H51 F9 Mo N4 O4 -","- C156 H204 F36 Mo4 N16 O16 -","4","1","","Leitner, Daniel; Neururer, Florian R.; Hohloch, Stephan","Synthesis and electrochemical properties of molybdenum nitrido complexes supported by redox-active NHC and MIC ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","582","594","10.1039/d4dt02405b","","","0.71073","MoKα","","0.0679","0.0492","","","0.1286","0.1407","","","","","","1.044","","","","has coordinates,has disorder","298882","2025-04-05","02:55:23",""
"7717368","32.4454","0.0015","9.7068","0.0004","21.5529","0.0009","90","","90","","90","","6787.9","0.5","187","","187","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C34 H46 Cl Mo N4 O2 -","- C34 H46 Cl Mo N4 O2 -","- C272 H368 Cl8 Mo8 N32 O16 -","8","0.5","","Leitner, Daniel; Neururer, Florian R.; Hohloch, Stephan","Synthesis and electrochemical properties of molybdenum nitrido complexes supported by redox-active NHC and MIC ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","582","594","10.1039/d4dt02405b","","","0.71073","MoKα","","0.0481","0.0377","","","0.0964","0.1021","","","","","","1.135","","","","has coordinates,has disorder","298882","2025-04-05","02:55:23",""
"7717369","11.2229","0.0008","18.4476","0.0014","51.454","0.004","90","","90","","90","","10652.8","1.4","153","","153","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H75 Cl3 Co Mo N4 O2 -","- C52 H75 Cl3 Co Mo N4 O2 -","- C416 H600 Cl24 Co8 Mo8 N32 O16 -","8","1","","Leitner, Daniel; Neururer, Florian R.; Hohloch, Stephan","Synthesis and electrochemical properties of molybdenum nitrido complexes supported by redox-active NHC and MIC ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","582","594","10.1039/d4dt02405b","","","0.71073","MoKα","","0.0606","0.0437","","","0.0922","0.098","","","","","","1.082","","","","has coordinates,has disorder","298882","2025-04-05","02:55:23",""
"7717370","13.5078","0.0007","28.4083","0.0015","13.9736","0.0007","90","","95.292","0.002","90","","5339.3","0.5","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H73.4 Mo N3 O3 -","- C54 H59 Mo N3 O3 -","- C216 H236 Mo4 N12 O12 -","4","1","","Leitner, Daniel; Neururer, Florian R.; Hohloch, Stephan","Synthesis and electrochemical properties of molybdenum nitrido complexes supported by redox-active NHC and MIC ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","582","594","10.1039/d4dt02405b","","","0.71073","MoKα","","0.0718","0.0544","","","0.1372","0.1457","","","","","","1.053","","","","has coordinates","298882","2025-04-05","02:55:23",""
"7717371","37.041","0.002","37.041","0.002","21.5515","0.0016","90","","90","","120","","25608","3","173","","173","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C49 H67 Mo N3 O2 S -","- C44 H55 Mo N3 O2 S -","- C792 H990 Mo18 N54 O36 S18 -","18","1","","Leitner, Daniel; Neururer, Florian R.; Hohloch, Stephan","Synthesis and electrochemical properties of molybdenum nitrido complexes supported by redox-active NHC and MIC ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","582","594","10.1039/d4dt02405b","","","0.71073","MoKα","","0.0788","0.0582","","","0.1571","0.1722","","","","","","0.998","","","","has coordinates,has disorder","298882","2025-04-05","02:55:23",""
"7717372","13.7921","0.0006","16.5408","0.0008","29.0621","0.0013","90","","90","","90","","6630","0.5","120","2","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H44 Cl Mo N3 O2 -","- C35 H44 Cl Mo N3 O2 -","- C280 H352 Cl8 Mo8 N24 O16 -","8","1","","Leitner, Daniel; Neururer, Florian R.; Hohloch, Stephan","Synthesis and electrochemical properties of molybdenum nitrido complexes supported by redox-active NHC and MIC ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","582","594","10.1039/d4dt02405b","","","0.71073","MoKα","","0.045","0.0311","","","0.0668","0.0774","","","","","","1.1","","","","has coordinates","298882","2025-04-05","02:55:23",""
"7717442","10.3147","0.0014","10.3481","0.0015","12.0696","0.0016","111.089","0.004","93.623","0.004","90.726","0.004","1198.7","0.3","100.14","0.1","100.14","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H45 N6 O14.5 Pb2 -","- C46 H45 N6 O14.5 Pb2 -","- C46 H45 N6 O14.5 Pb2 -","1","0.5","","Janak, ?; Sapner, Vijay S.; Sathe, Bhaskar R.; Khullar, Sadhika","Construction of efficient Pb(II) carboxylate catalysts for the oxygen and hydrogen evolution reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1087","1102","10.1039/d4dt02958e","","","0.71073","MoKα","","0.0172","0.0167","","","0.0393","0.0395","","","","","","1.098","","","","has coordinates","298950","2025-04-05","03:25:40",""
"7717443","8.9986","0.0006","11.4619","0.0008","12.1271","0.0008","67.818","0.002","88.463","0.002","75.02","0.002","1115.36","0.13","100.14","0.1","100.14","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N3 O4 Pb -","- C26 H22 N3 O4 Pb -","- C52 H44 N6 O8 Pb2 -","2","1","","Janak, ?; Sapner, Vijay S.; Sathe, Bhaskar R.; Khullar, Sadhika","Construction of efficient Pb(II) carboxylate catalysts for the oxygen and hydrogen evolution reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1087","1102","10.1039/d4dt02958e","","","0.71073","MoKα","","0.0184","0.0182","","","0.0454","0.0455","","","","","","1.08","","","","has coordinates","298950","2025-04-05","03:25:50",""
"7717456","30.477","0.002","15.0603","0.0011","20.2126","0.0014","90","","122.327","0.0018","90","","7839.5","1","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H46 Br Mn N4 O2 -","- C35 H46 Br Mn N4 O2 -","- C280 H368 Br8 Mn8 N32 O16 -","8","1","","Kunert, Romain; Martelino, Diego; Mahato, Samyadeb; Hein, Nicholas M.; Pulfer, Jason; Philouze, Christian; Jarjayes, Olivier; Thomas, Fabrice; Storr, Tim","Investigating the formation of metal nitride complexes employing a tetradentate bis-carbene bis-phenolate ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","616","630","10.1039/d4dt01765j","","","0.71073","MoKα","","0.0568","0.0382","","","0.0866","0.0935","","","","","","1.042","","","","has coordinates","298888","2025-04-05","02:58:31",""
"7717457","15.6595","0.0007","9.0777","0.0005","25.7615","0.0013","90","","90.347","0.003","90","","3662","0.3","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 Br0.03 Mn N6.97 O2 -","- C35 H46 Br0.027 Mn N6.967 O2 -","- C140 H184 Br0.108 Mn4 N27.868 O8 -","4","1","","Kunert, Romain; Martelino, Diego; Mahato, Samyadeb; Hein, Nicholas M.; Pulfer, Jason; Philouze, Christian; Jarjayes, Olivier; Thomas, Fabrice; Storr, Tim","Investigating the formation of metal nitride complexes employing a tetradentate bis-carbene bis-phenolate ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","616","630","10.1039/d4dt01765j","","","0.71073","MoKα","","0.0501","0.0331","","","0.0704","0.0768","","","","","","1.018","","","","has coordinates,has disorder","298888","2025-04-05","02:58:32",""
"7717458","8.1811","0.0016","13.29","0.003","20.518","0.004","96.27","0.03","96.47","0.03","106.01","0.03","2107.6","0.9","210","","210","","","","","","","","","5","P -1","-P 1","2","","","","- C38.25 H55.24 Cl2.5 N6.25 O3 -","- C38.249 H55.248 Cl2.498 N6.25 O3 -","- C76.498 H110.496 Cl4.996 N12.5 O6 -","2","1","","Kunert, Romain; Martelino, Diego; Mahato, Samyadeb; Hein, Nicholas M.; Pulfer, Jason; Philouze, Christian; Jarjayes, Olivier; Thomas, Fabrice; Storr, Tim","Investigating the formation of metal nitride complexes employing a tetradentate bis-carbene bis-phenolate ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","616","630","10.1039/d4dt01765j","","","0.71073","MoKα","","0.0902","0.0642","","","0.1592","0.1818","","","","","","1.089","","","","has coordinates,has disorder","298888","2025-04-05","02:58:32",""
"7717459","15.7083","0.001","12.5593","0.0009","16.5802","0.0011","90","","96.354","0.002","90","","3250.9","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 Cr N5 O2 -","- C35 H46 Cr N5 O2 -","- C140 H184 Cr4 N20 O8 -","4","1","","Kunert, Romain; Martelino, Diego; Mahato, Samyadeb; Hein, Nicholas M.; Pulfer, Jason; Philouze, Christian; Jarjayes, Olivier; Thomas, Fabrice; Storr, Tim","Investigating the formation of metal nitride complexes employing a tetradentate bis-carbene bis-phenolate ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","616","630","10.1039/d4dt01765j","","","0.71073","MoKα","","0.0432","0.0337","","","0.0898","0.0962","","","","","","1.026","","","","has coordinates","298888","2025-04-05","02:58:32",""
"7717462","10.3761","0.0003","10.7077","0.0003","12.8832","0.0004","68.299","0.003","68.228","0.002","81.243","0.002","1234.87","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H50 N8 O16 Sm2 -","- C45.9994 H49.9986 N7.9998 O15.9998 Sm2 -","- C45.9994 H49.9986 N7.9998 O15.9998 Sm2 -","1","0.5","","Vasileva, Alena A.; Demakov, Pavel A.; Guselnikova, Tatiana Y.; Ryadun, Alexey A.; Fedin, Vladimir P.; Dybtsev, Danil N.","Solvatomorphic phase transitions and tunable luminescence emission in lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","641","648","10.1039/d4dt02613f","","x-ray","0.71073","MoKα","","0.0262","0.0233","","","0.054","0.0552","","","","","","1.051","","","","has coordinates,has disorder","298886","2025-04-05","02:56:54",""
"7717463","12.6382","0.0005","16.964","0.0005","12.8442","0.0005","90","","113.567","0.005","90","","2524.05","0.19","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 N8 O16 Sm2 -","- C48 H54 N8 O16 Sm2 -","- C96 H108 N16 O32 Sm4 -","2","0.5","","Vasileva, Alena A.; Demakov, Pavel A.; Guselnikova, Tatiana Y.; Ryadun, Alexey A.; Fedin, Vladimir P.; Dybtsev, Danil N.","Solvatomorphic phase transitions and tunable luminescence emission in lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","641","648","10.1039/d4dt02613f","","x-ray","0.71073","MoKα","","0.0298","0.0215","","","0.0431","0.0453","","","","","","1.047","","","","has coordinates,has disorder","298886","2025-04-05","02:56:54",""
"7717464","12.9332","0.0004","13.7559","0.0003","16.2253","0.0005","90","","111.62","0.004","90","","2683.53","0.15","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 N8 O16 Sm2 -","- C50 H58 N8 O16 Sm2 -","- C100 H116 N16 O32 Sm4 -","2","0.5","","Vasileva, Alena A.; Demakov, Pavel A.; Guselnikova, Tatiana Y.; Ryadun, Alexey A.; Fedin, Vladimir P.; Dybtsev, Danil N.","Solvatomorphic phase transitions and tunable luminescence emission in lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","641","648","10.1039/d4dt02613f","","x-ray","0.71073","MoKα","","0.0316","0.0284","","","0.0743","0.0775","","","","","","1.071","","","","has coordinates","298886","2025-04-05","02:56:54",""
"7717465","13.0555","0.0007","13.9456","0.0007","15.9707","0.0007","88.323","0.004","68.432","0.004","86.135","0.004","2698","0.2","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H58 N8 O16 Sm2 -","- C52 H58 N8 O16 Sm2 -","- C104 H116 N16 O32 Sm4 -","2","1","","Vasileva, Alena A.; Demakov, Pavel A.; Guselnikova, Tatiana Y.; Ryadun, Alexey A.; Fedin, Vladimir P.; Dybtsev, Danil N.","Solvatomorphic phase transitions and tunable luminescence emission in lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","641","648","10.1039/d4dt02613f","","x-ray","0.71073","MoKα","","0.075","0.0603","","","0.1641","0.1735","","","","","","1.053","","","","has coordinates,has disorder","298886","2025-04-05","02:56:54",""
"7717466","8.811","0.0003","14.1384","0.0005","19.8289","0.0006","80.365","0.001","87.605","0.001","82.266","0.001","2412.69","0.14","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 Cl3 In N2 O -","- C23 H24 Cl3 In N2 O -","- C92 H96 Cl12 In4 N8 O4 -","4","2","","Sai Kumar, Gobbilla; Bano, Kulsum; Biswal, Priyabrata; Dey, Soumyadip; Kumar, Ravi; Sau, Abhijit; Chandrasekhar, Vadapalli; Panda, Tarun K.","Indium-catalyzed hydrosilylation of nitroarenes to aromatic amines.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1552","1559","10.1039/d4dt02861a","","","0.71073","MoKα","","0.0757","0.0374","","","0.0837","0.0968","","","","","","1.02","","","","has coordinates","298876","2025-04-05","02:48:10",""
"7717467","21.0292","0.0011","7.9555","0.0004","14.0135","0.0006","90","","112.329","0.002","90","","2168.64","0.19","273","2","273","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C18 H22 Cl2 In N2 O P S -","- C18 H22 Cl2 In N2 O P S -","- C72 H88 Cl8 In4 N8 O4 P4 S4 -","4","1","","Sai Kumar, Gobbilla; Bano, Kulsum; Biswal, Priyabrata; Dey, Soumyadip; Kumar, Ravi; Sau, Abhijit; Chandrasekhar, Vadapalli; Panda, Tarun K.","Indium-catalyzed hydrosilylation of nitroarenes to aromatic amines.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1552","1559","10.1039/d4dt02861a","","","0.71073","MoKα","","0.032","0.0289","","","0.0677","0.0688","","","","","","1.016","","","","has coordinates","298876","2025-04-05","02:48:10",""
"7717468","18.309","0.002","9.8212","0.0009","15.5256","0.0014","90","","115.026","0.003","90","","2529.7","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl In N6 O2 -","- C22 H32 Cl In N6 O2 -","- C88 H128 Cl4 In4 N24 O8 -","4","1","","Sai Kumar, Gobbilla; Bano, Kulsum; Biswal, Priyabrata; Dey, Soumyadip; Kumar, Ravi; Sau, Abhijit; Chandrasekhar, Vadapalli; Panda, Tarun K.","Indium-catalyzed hydrosilylation of nitroarenes to aromatic amines.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1552","1559","10.1039/d4dt02861a","","","0.71073","MoKα","","0.0536","0.0309","","","0.0611","0.0676","","","","","","1.019","","","","has coordinates","298876","2025-04-05","02:48:10",""
"7717469","10.5325","0.0005","20.4336","0.0008","11.6318","0.0006","90","","93.511","0.005","90","","2498.7","0.2","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Gallium mono-methoxy bis-N-benzyl-N-phenylhydroxamate","","- C27 H23 Ga N2 O5 -","- C27 H23 Ga N2 O5 -","- C108 H92 Ga4 N8 O20 -","4","1","","Duffin, Rebekah N.; Kelderman, Jenisi T. A.; Herdman, Megan E.; Andrews, Philip C.","Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant <i>Klebsiella pneumoniae</i>.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","649","661","10.1039/d4dt02440k","","x-ray","0.71073","MoKα","","0.1237","0.091","","","0.1595","0.169","","","","","","1.185","","","","has coordinates","298884","2025-04-05","02:56:14",""
"7717470","13.4603","0.0009","13.4603","0.0009","10.2309","0.0008","90","","90","","120","","1605.3","0.2","123","0.1","123","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Iron tris-N-benzyl-N-phenylhydroxamate","","- C6.5 H5 Fe0.17 N0.5 O -","- C6.5 H5 Fe0.166667 N0.5 O -","- C78 H60 Fe2 N6 O12 -","12","1","","Duffin, Rebekah N.; Kelderman, Jenisi T. A.; Herdman, Megan E.; Andrews, Philip C.","Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant <i>Klebsiella pneumoniae</i>.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","649","661","10.1039/d4dt02440k","","x-ray","0.71073","MoKα","","0.1012","0.0838","","","0.2249","0.2421","","","","","","1.071","","","","has coordinates,has disorder","298884","2025-04-05","02:56:23",""
"7717471","13.3905","0.0002","13.3905","0.0002","10.3009","0.0003","90","","90","","120","","1599.56","0.06","123","2","123","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Gallium tris-N-benzyl-N-phenylhydroxamate","","- C39 H30 Ga N3 O6 -","- C39 H30 Ga N3 O6 -","- C78 H60 Ga2 N6 O12 -","2","0.166667","","Duffin, Rebekah N.; Kelderman, Jenisi T. A.; Herdman, Megan E.; Andrews, Philip C.","Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant <i>Klebsiella pneumoniae</i>.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","649","661","10.1039/d4dt02440k","","","1.54184","CuKα","","0.0552","0.0532","","","0.1493","0.1512","","","","","","1.067","","","","has coordinates,has disorder","298884","2025-04-05","02:56:24",""
"7717472","6.9024","0.0002","14.1349","0.0004","37.0932","0.0011","90","","90","","90","","3618.99","0.18","122.99","0.11","122.99","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H24 Ga3 N O3 -","- C13 H24 Ga3 N O3 -","- C104 H192 Ga24 N8 O24 -","8","1","","Duffin, Rebekah N.; Kelderman, Jenisi T. A.; Herdman, Megan E.; Andrews, Philip C.","Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant <i>Klebsiella pneumoniae</i>.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","649","661","10.1039/d4dt02440k","","x-ray","1.54184","CuKα","","0.051","0.0429","","","0.1029","0.1069","","","","","","1.061","","","","has coordinates","298884","2025-04-05","02:56:24",""
"7717473","9.7967","0.0003","13.91","0.0003","10.3884","0.0003","90","","93.174","0.002","90","","1413.48","0.07","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimethylgallium N-phenylbenzohydroxamate","","- C15 H16 Ga N O2 -","- C15 H16 Ga N O2 -","- C60 H64 Ga4 N4 O8 -","4","1","","Duffin, Rebekah N.; Kelderman, Jenisi T. A.; Herdman, Megan E.; Andrews, Philip C.","Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant <i>Klebsiella pneumoniae</i>.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","649","661","10.1039/d4dt02440k","","x-ray","0.71073","MoKα","","0.0442","0.0303","","","0.0702","0.0741","","","","","","1.086","","","","has coordinates","298884","2025-04-05","02:56:24",""
"7717474","22.5883","0.0009","22.5883","0.0009","16.7968","0.001","90","","90","","90","","8570.3","0.7","123","","123","","","","","","","","","5","I 41/a :2","-I 4ad","88","","mono-methyl gallium bis-benzohydroxamate","","- C22 H23 Ga N2 O4 -","- C22 H23 Ga N2 O4 -","- C352 H368 Ga16 N32 O64 -","16","1","","Duffin, Rebekah N.; Kelderman, Jenisi T. A.; Herdman, Megan E.; Andrews, Philip C.","Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant <i>Klebsiella pneumoniae</i>.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","649","661","10.1039/d4dt02440k","","","0.71073","MoKα","","0.0654","0.0295","","","0.0368","0.0406","","","","","","0.651","","","","has coordinates","298884","2025-04-05","02:56:24",""
"7717475","9.7644","0.0001","12.3593","0.0001","22.2325","0.0003","85.471","0.001","86.098","0.001","77.38","0.001","2606.49","0.05","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H62 Ga8 N2 O8 -","- C40 H62 Ga8 N2 O8 -","- C80 H124 Ga16 N4 O16 -","2","1","","Duffin, Rebekah N.; Kelderman, Jenisi T. A.; Herdman, Megan E.; Andrews, Philip C.","Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant <i>Klebsiella pneumoniae</i>.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","649","661","10.1039/d4dt02440k","","x-ray","1.54184","CuKα","","0.0497","0.0451","","","0.1248","0.1285","","","","","","1.112","","","","has coordinates","298884","2025-04-05","02:56:24",""
"7717476","14.3324","0.0003","9.3198","0.0002","18.1798","0.0004","90","","98.647","0.002","90","","2400.77","0.09","123.01","0.13","123.01","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","mono-methyl gallium bis-N-Benzoyl-N-phenylhydroxamate","","- C27 H23 Ga N2 O4 -","- C27 H23 Ga N2 O4 -","- C108 H92 Ga4 N8 O16 -","4","1","","Duffin, Rebekah N.; Kelderman, Jenisi T. A.; Herdman, Megan E.; Andrews, Philip C.","Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant <i>Klebsiella pneumoniae</i>.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","649","661","10.1039/d4dt02440k","","x-ray","0.71073","MoKα","","0.0545","0.0393","","","0.0887","0.0936","","","","","","1.024","","","","has coordinates","298884","2025-04-05","02:56:24",""
"7717499","8.1646","0.001","28.713","0.004","13.7242","0.0017","90","","95.542","0.002","90","","3202.3","0.7","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Cl3 N3 O3 P2 Pd -","- C25 H38 Cl3 N3 O3 P2 Pd -","- C100 H152 Cl12 N12 O12 P8 Pd4 -","4","1","","Serrano-García, Juan S; García-Eleno, Marco Antonio; Arenaza-Corona, Antonino; Rufino-Felipe, Ernesto; Valdés, Hugo; Hernandez-Ortega, Simon; Morales-Morales, David","Simple and easy functionalization of <i>para</i>-hydroxy POCOP-M (M = Ni(II), Pd(II)) pincer complexes: synthesis of multimetallic species.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","694","699","10.1039/d4dt02841d","","","0.71073","MoKα","","0.1333","0.0698","","","0.158","0.1926","","","","","","1.015","","","","has coordinates,has disorder","298880","2025-04-05","02:53:34",""
"7717500","8.0717","0.0009","28.421","0.003","13.667","0.0014","90","","94.878","0.002","90","","3123.9","0.6","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Cl3 N3 Ni O3 P2 -","- C25 H38 Cl3 N3 Ni O3 P2 -","- C100 H152 Cl12 N12 Ni4 O12 P8 -","4","1","","Serrano-García, Juan S; García-Eleno, Marco Antonio; Arenaza-Corona, Antonino; Rufino-Felipe, Ernesto; Valdés, Hugo; Hernandez-Ortega, Simon; Morales-Morales, David","Simple and easy functionalization of <i>para</i>-hydroxy POCOP-M (M = Ni(II), Pd(II)) pincer complexes: synthesis of multimetallic species.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","694","699","10.1039/d4dt02841d","","","0.71073","MoKα","","0.0842","0.0444","","","0.0661","0.0734","","","","","","0.806","","","","has coordinates,has disorder","298880","2025-04-05","02:53:34",""
"7717501","12.4109","0.0006","14.2844","0.0007","20.6999","0.001","70.055","0.001","85.498","0.001","68.175","0.001","3197.4","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H76 Cl3 N3 Ni0.52 O6 P4 Pd1.48 -","- C47 H76 Cl3 N3 Ni0.517 O6 P4 Pd1.483 -","- C94 H152 Cl6 N6 Ni1.034 O12 P8 Pd2.966 -","2","1","","Serrano-García, Juan S; García-Eleno, Marco Antonio; Arenaza-Corona, Antonino; Rufino-Felipe, Ernesto; Valdés, Hugo; Hernandez-Ortega, Simon; Morales-Morales, David","Simple and easy functionalization of <i>para</i>-hydroxy POCOP-M (M = Ni(II), Pd(II)) pincer complexes: synthesis of multimetallic species.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","694","699","10.1039/d4dt02841d","","","0.71073","MoKα","","0.2074","0.0908","","","0.1997","0.2552","","","","","","0.999","","","","has coordinates,has disorder","298880","2025-04-05","02:53:34",""
"7717502","15.954","0.007","18.038","0.007","18.358","0.008","106.251","0.006","109.017","0.006","92.856","0.006","4737","3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H41 F12 N3 Ni O3 P2 S3 -","- C43 H41 F12 N3 Ni O3 P2 S3 -","- C172 H164 F48 N12 Ni4 O12 P8 S12 -","4","2","","Serrano-García, Juan S; García-Eleno, Marco Antonio; Arenaza-Corona, Antonino; Rufino-Felipe, Ernesto; Valdés, Hugo; Hernandez-Ortega, Simon; Morales-Morales, David","Simple and easy functionalization of <i>para</i>-hydroxy POCOP-M (M = Ni(II), Pd(II)) pincer complexes: synthesis of multimetallic species.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","694","699","10.1039/d4dt02841d","","","0.71073","MoKα","","0.3453","0.0864","","","0.1564","0.255","","","","","","0.923","","","","has coordinates","298880","2025-04-05","02:53:34",""
"7717503","17.715","0.0002","11.4825","0.00012","28.1918","0.0003","90","","99.3892","0.0012","90","","5657.74","0.11","293","2","293","2","","","","","","","","9","P 1 2/c 1","-P 2yc","13","","","","- C58 H55.2 Cl F6 N2 O3.6 P5 Ru S -","- C58 H50 Cl F6 N2 O P5 Ru S -","- C232 H200 Cl4 F24 N8 O4 P20 Ru4 S4 -","4","1","","da Silva, Nádija N P; Palmeira-Mello, Marcos V; Acésio, Nathália O; Moraes, Carlos A. F.; Honorato, João; Castellano, Eduardo E.; Tavares, Denise C.; Oliveira, Katia M.; Batista, Alzir A.","Ru(II)-diphosphine/N,S-mercapto complexes and their anti-melanoma properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","605","615","10.1039/d4dt02575j","","x-ray","0.71073","MoKα","","0.0484","0.0433","","","0.1008","0.1047","","","","","","1.111","","","","has coordinates,has disorder","298887","2025-04-05","02:57:53",""
"7717504","21.8405","0.0003","13.02075","0.00015","21.5213","0.0003","90","","108.664","0.0013","90","","5798.38","0.14","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 F6 N6 O2 P Ru S -","- C28 H21 F6 N6 O P Ru S -","- C224 H168 F48 N48 O8 P8 Ru8 S8 -","8","1","","da Silva, Nádija N P; Palmeira-Mello, Marcos V; Acésio, Nathália O; Moraes, Carlos A. F.; Honorato, João; Castellano, Eduardo E.; Tavares, Denise C.; Oliveira, Katia M.; Batista, Alzir A.","Ru(II)-diphosphine/N,S-mercapto complexes and their anti-melanoma properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","605","615","10.1039/d4dt02575j","","x-ray","1.54184","CuKα","","0.0375","0.0359","","","0.0906","0.0916","","","","","","1.037","","","","has coordinates","298887","2025-04-05","02:57:55",""
"7717505","15.2901","0.0003","11.7639","0.0003","16.7665","0.0002","90","","94.0784","0.0016","90","","3008.17","0.1","100","1","100","1","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C63 H61 F6 N2 O3 P5 Ru S -","- C61 H55 F6 N2 O2 P5 Ru S -","- C122 H110 F12 N4 O4 P10 Ru2 S2 -","2","1","","da Silva, Nádija N P; Palmeira-Mello, Marcos V; Acésio, Nathália O; Moraes, Carlos A. F.; Honorato, João; Castellano, Eduardo E.; Tavares, Denise C.; Oliveira, Katia M.; Batista, Alzir A.","Ru(II)-diphosphine/N,S-mercapto complexes and their anti-melanoma properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","605","615","10.1039/d4dt02575j","","x-ray","1.54184","CuKα","","0.0615","0.0586","","","0.1445","0.1468","","","","","","1.0444","","","","has coordinates","298887","2025-04-05","02:58:04",""
"7717506","6.982","0.004","21.445","0.011","7.808","0.004","90","","114.861","0.007","90","","1060.7","1","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 B F N2 O2 -","- C12 H8 B F N2 O2 -","- C48 H32 B4 F4 N8 O8 -","4","1","","Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo","Contribution of radiative rate constants to crystallization-induced emission enhancement in boron-fused azobenzene complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1079","1086","10.1039/d4dt02458c","","","0.71075","MoKα","","0.0808","0.0513","","","0.1016","0.1117","","","","","","0.805","","","","has coordinates,has disorder","298934","2025-04-05","03:19:52",""
"7717507","21.821","0.014","6.154","0.003","18.764","0.012","90","","120.182","0.008","90","","2178","2","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 B F3 N2 O2 -","- C12 H6 B F3 N2 O2 -","- C96 H48 B8 F24 N16 O16 -","8","1","","Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo","Contribution of radiative rate constants to crystallization-induced emission enhancement in boron-fused azobenzene complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1079","1086","10.1039/d4dt02458c","","","0.71075","MoKα","","0.0802","0.0439","","","0.091","0.1003","","","","","","0.735","","","","has coordinates,has disorder","298934","2025-04-05","03:19:52",""
"7717508","6.975","0.003","7.306","0.003","14.302","0.006","95.261","0.003","97.928","0.006","115.739","0.007","640.8","0.5","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H6 B Br2 F N2 O2 -","- C12 H6 B Br2 F N2 O2 -","- C24 H12 B2 Br4 F2 N4 O4 -","2","1","","Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo","Contribution of radiative rate constants to crystallization-induced emission enhancement in boron-fused azobenzene complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1079","1086","10.1039/d4dt02458c","","","0.71075","MoKα","","0.0517","0.0334","","","0.0623","0.0669","","","","","","0.978","","","","has coordinates,has disorder","298934","2025-04-05","03:19:52",""
"7717509","7.084","0.004","7.205","0.005","13.827","0.007","96.26","0.03","97.76","0.05","116.43","0.02","614.7","0.7","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H6 B Cl2 F N2 O2 -","- C12 H6 B Cl2 F N2 O2 -","- C24 H12 B2 Cl4 F2 N4 O4 -","2","1","","Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo","Contribution of radiative rate constants to crystallization-induced emission enhancement in boron-fused azobenzene complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1079","1086","10.1039/d4dt02458c","","","0.71075","MoKα","","0.0965","0.0544","","","0.098","0.1132","","","","","","0.981","","","","has coordinates,has disorder","298934","2025-04-05","03:19:52",""
"7717510","20.5437","0.0004","10.4027","0.0004","30.6083","0.0009","90","","106.71","0.003","90","","6265.1","0.3","293","2","293","2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C48 H52 B F4 N4 O8 Rh -","- C48 H52 B F4 N4 O8 Rh -","- C192 H208 B4 F16 N16 O32 Rh4 -","4","1","","Bakija, Marija; Opačak, Saša; Perić, Berislav; Chakrabortty, Soumyadeep; Dell'Acqua, Andrea; Baráth, Eszter; de Vries, Johannes G.; Tin, Sergey; Kirin, Srećko I","Supramolecular bidentate rhodium(I) or iridium(I) phosphine and oxazoline amino acid bioconjugates as selective catalysts for enantioselective reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1021","1037","10.1039/d4dt02519a","","","1.54184","CuKα","","0.0379","0.0346","","","0.0979","0.101","","","","","","1.108","","","","has coordinates","298940","2025-04-05","03:21:57",""
"7717516","6.2672","0.0005","7.9274","0.0006","12.4219","0.0009","82.624","0.006","78.692","0.006","76.836","0.006","587","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H9 Cl2 N3 O S -","- C9 H9 Cl2 N3 O S -","- C18 H18 Cl4 N6 O2 S2 -","2","1","","Avcu Altiparmak, Elif; Özen Eroğlu, Güneş; Özdemir, Namık; Erdem Kuruca, Serap; Bal Demirci, Tülay","Synthesis, cytotoxicities, structural properties and comparison of dihalogeno-substituted-thiosemicarbazone ligands and mixed-ligand Ni(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1454","1467","10.1039/d4dt02774d","","","0.71073","MoKα","","0.0599","0.0514","","","0.1499","0.1566","","","","","","1.067","","","","has coordinates","298288","2025-03-04","20:25:10",""
"7717517","12.3415","0.0008","10.19","0.0006","15.4159","0.0011","90","","110.924","0.005","90","","1810.9","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cl2 N4 Ni O3 S -","- C13 H18 Cl2 N4 Ni O3 S -","- C52 H72 Cl8 N16 Ni4 O12 S4 -","4","1","","Avcu Altiparmak, Elif; Özen Eroğlu, Güneş; Özdemir, Namık; Erdem Kuruca, Serap; Bal Demirci, Tülay","Synthesis, cytotoxicities, structural properties and comparison of dihalogeno-substituted-thiosemicarbazone ligands and mixed-ligand Ni(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1454","1467","10.1039/d4dt02774d","","","0.71073","MoKα","","0.1032","0.0509","","","0.0867","0.1002","","","","","","0.944","","","","has coordinates","298288","2025-03-04","20:25:11",""
"7717518","12.69","0.0008","10.2688","0.0005","15.4499","0.0012","90","","111.571","0.005","90","","1872.3","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Br2 N4 Ni O3 S -","- C13 H18 Br2 N4 Ni O3 S -","- C52 H72 Br8 N16 Ni4 O12 S4 -","4","1","","Avcu Altiparmak, Elif; Özen Eroğlu, Güneş; Özdemir, Namık; Erdem Kuruca, Serap; Bal Demirci, Tülay","Synthesis, cytotoxicities, structural properties and comparison of dihalogeno-substituted-thiosemicarbazone ligands and mixed-ligand Ni(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1454","1467","10.1039/d4dt02774d","","","0.71073","MoKα","","0.0825","0.0506","","","0.1057","0.1171","","","","","","1.03","","","","has coordinates","298288","2025-03-04","20:25:11",""
"7717528","36.13","0.008","36.13","0.008","36.13","0.008","90","","90","","90","","47163","18","273","2","273","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C35 H22 Cu2 N4 O11 -","- C35 H22 Cu2 N4 O11 -","- C840 H528 Cu48 N96 O264 -","24","0.25","","Dong, Wenyu; Wang, Zhaoxu; Cai, Zuxian; Deng, Yiqiang; Wang, Guanyu; Zheng, Baishu","Highly efficient CO<sub>2</sub> capture and chemical fixation of a microporous (3, 36)-connected <i>txt</i>-type Cu(II)-MOF with multifunctional sites.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","745","753","10.1039/d4dt01531b","","","0.71073","MoKα","","0.1102","0.0904","","","0.2374","0.2601","","","","","","1.263","","","","has coordinates,has disorder","298877","2025-04-05","02:48:39",""
"7717535","9.7076","0.0014","11.1525","0.0016","8.4121","0.0014","90","","94.131","0.013","90","","908.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N3 S -","- C8 H11 N3 S -","- C32 H44 N12 S4 -","4","1","","Pandey, Shivendra Kumar; Kumar, Sandeep; Singh, Swati; Patel, Anand Kumar; Gond, Mannu Kumar; Acharya, Arbind; Bharty, Manoj Kumar","Synthesis, structural characterisation, and anticancer potential of mono and dinuclear Pd(II) complexes of <i>N</i>-(2-pyridyl)thiourea.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1139","1149","10.1039/d4dt02614d","","","1.54178","CuKα","","0.1122","0.0957","","","0.2564","0.302","","","","","","1.1","","","","has coordinates","298943","2025-04-05","03:22:52",""
"7717536","10.304","0.0002","11.1576","0.0002","19.3304","0.0004","90","","101.071","0.002","90","","2181.02","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl2 N6 Pd2 S2 -","- C16 H20 Cl2 N6 Pd2 S2 -","- C64 H80 Cl8 N24 Pd8 S8 -","4","1","","Pandey, Shivendra Kumar; Kumar, Sandeep; Singh, Swati; Patel, Anand Kumar; Gond, Mannu Kumar; Acharya, Arbind; Bharty, Manoj Kumar","Synthesis, structural characterisation, and anticancer potential of mono and dinuclear Pd(II) complexes of <i>N</i>-(2-pyridyl)thiourea.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1139","1149","10.1039/d4dt02614d","","","1.54184","CuKα","","0.0325","0.0271","","","0.0675","0.0701","","","","","","1.048","","","","has coordinates","298943","2025-04-05","03:22:53",""
"7717537","8.8167","0.0001","7.8205","0.0001","13.4444","0.0001","90","","96.092","0.001","90","","921.77","0.017","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 N6 Pd S2 -","- C16 H20 N6 Pd S2 -","- C32 H40 N12 Pd2 S4 -","2","1","","Pandey, Shivendra Kumar; Kumar, Sandeep; Singh, Swati; Patel, Anand Kumar; Gond, Mannu Kumar; Acharya, Arbind; Bharty, Manoj Kumar","Synthesis, structural characterisation, and anticancer potential of mono and dinuclear Pd(II) complexes of <i>N</i>-(2-pyridyl)thiourea.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1139","1149","10.1039/d4dt02614d","","","0.71073","MoKα","","0.0417","0.0417","","","0.1061","0.1061","","","","","","1.063","","","","has coordinates","298943","2025-04-05","03:23:03",""
"7717538","9.557","0.0006","10.0876","0.0007","10.484","0.0007","112.632","0.007","96.062","0.006","98.241","0.006","908.86","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 Co N2 O7 -","- C19 H20 Co N2 O7 -","- C38 H40 Co2 N4 O14 -","2","1","","Zhang, Yi-Ru; Liang, Yan-Bing; Jian, Dan; Wu, Jian-Zhong; Ou, Yong-Cong","New cobalt-based metal-organic frameworks for catalysing sulfite in the degradation of reactive brilliant red.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1222","1230","10.1039/d4dt03000a","","","1.54178","CuKα","","0.0498","0.0414","","","0.0979","0.1002","","","","","","0.938","","","","has coordinates","298942","2025-04-05","03:22:27",""
"7717539","9.199","0.0008","9.6032","0.001","10.9409","0.001","91.168","0.002","94.456","0.002","104.944","0.002","930.19","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Co N2 O6 -","- C21 H20 Co N2 O6 -","- C42 H40 Co2 N4 O12 -","2","1","","Zhang, Yi-Ru; Liang, Yan-Bing; Jian, Dan; Wu, Jian-Zhong; Ou, Yong-Cong","New cobalt-based metal-organic frameworks for catalysing sulfite in the degradation of reactive brilliant red.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1222","1230","10.1039/d4dt03000a","","","0.71073","MoKα","","0.1296","0.0695","","","0.1776","0.2292","","","","","","1.04","","","","has coordinates","298942","2025-04-05","03:22:38",""
"7717540","7.2508","0.0006","10.4687","0.0011","12.7942","0.001","72.323","0.004","89.396","0.003","75.982","0.003","895.66","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Co1.5 N O12 -","- C14 H19 Co1.5 N O12 -","- C28 H38 Co3 N2 O24 -","2","1","","Zhang, Yi-Ru; Liang, Yan-Bing; Jian, Dan; Wu, Jian-Zhong; Ou, Yong-Cong","New cobalt-based metal-organic frameworks for catalysing sulfite in the degradation of reactive brilliant red.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1222","1230","10.1039/d4dt03000a","","","0.71073","MoKα","","0.1093","0.0747","","","0.2038","0.2527","","","","","","1.078","","","","has coordinates,has disorder","298942","2025-04-05","03:22:38",""
"7717541","27.8698","0.0009","9.5761","0.0003","13.6522","0.0004","90","","90","","90","","3643.6","0.2","150","2","150","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C33 H28 Co2 N4 O9 -","- C33 H28 Co2 N4 O9 -","- C132 H112 Co8 N16 O36 -","4","0.5","","Zhang, Yi-Ru; Liang, Yan-Bing; Jian, Dan; Wu, Jian-Zhong; Ou, Yong-Cong","New cobalt-based metal-organic frameworks for catalysing sulfite in the degradation of reactive brilliant red.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1222","1230","10.1039/d4dt03000a","","","1.54178","CuKα","","0.1019","0.0769","","","0.1953","0.2164","","","","","","1.047","","","","has coordinates,has disorder","298942","2025-04-05","03:22:38",""
"7717542","9.6373","0.0012","12.2542","0.0018","12.3359","0.0019","105.823","0.013","104.809","0.012","102.75","0.011","1287.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H O13 P3 Rb3 V2 -","- O13 P3 Rb3 V2 -","- O52 P12 Rb12 V8 -","4","2","","Yakubovich, Olga; Kiriukhina, Galina; Volkov, Anatoliy; Dimitrova, Olga; Chumakov, Ratibor; Shvanskaya, Larisa; Vasiliev, Alexander","Rubidium vanadium(III) vanadyl(IV) phosphate, Rb<sub>3</sub>V<sup>3+</sup>(V<sup>4+</sup>O)(PO<sub>4</sub>)(H<sub>0.5</sub>PO<sub>4</sub>)<sub>2</sub>: crystal chemistry and low-dimensional magnetism.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1103","1110","10.1039/d4dt02719a","","","0.71073","MoKα","","0.171","0.0766","","","0.1376","0.1568","","","","","","0.946","","","","has coordinates","298946","2025-04-05","03:24:05",""
"7717543","11.77638","0.0001","18.18345","0.00016","11.4887","0.00011","90","","100.858","0.0009","90","","2416.09","0.04","120","0.4","120","0.4","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Cl N2 O2 Ru S2 -","- C24 H27 Cl N2 O2 Ru S2 -","- C96 H108 Cl4 N8 O8 Ru4 S8 -","4","1","","Risi, Matthew C.; Stjärnhage, Julia; Henderson, William; Lane, Joseph R.; Hartinger, Christian G.; Saunders, Graham C.","The coordination chemistry and anticancer activity of organo-ruthenium(II), -iridium(III) and -rhodium(III) complexes with sulfonyl-substituted thiourea ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","539","549","10.1039/d4dt02733g","","x-ray","1.54184","CuKα","","0.0258","0.0246","","","0.0662","0.0669","","","","","","1.0352","","","","has coordinates","298878","2025-04-05","02:52:54",""
"7717544","23.1894","0.0006","9.2198","0.0002","23.8717","0.0005","90","","112.177","0.003","90","","4726.2","0.2","120","0.4","120","0.4","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H52 N4 O4 Ru2 S4 -","- C48 H52 N4 O4 Ru2 S4 -","- C192 H208 N16 O16 Ru8 S16 -","4","0.5","","Risi, Matthew C.; Stjärnhage, Julia; Henderson, William; Lane, Joseph R.; Hartinger, Christian G.; Saunders, Graham C.","The coordination chemistry and anticancer activity of organo-ruthenium(II), -iridium(III) and -rhodium(III) complexes with sulfonyl-substituted thiourea ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","539","549","10.1039/d4dt02733g","","x-ray","1.54184","CuKα","","0.055","0.0493","","","0.1289","0.1338","","","","","","1.063","","","","has coordinates","298878","2025-04-05","02:52:54",""
"7717545","8.34223","0.00008","20.4172","0.0003","18.7826","0.0002","90","","98.1698","0.0011","90","","3166.68","0.07","99.9","0.5","99.9","0.5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cl2 N2 O2 P Ru S2 -","- C33 H31 Cl2 N2 O2 P Ru S2 -","- C132 H124 Cl8 N8 O8 P4 Ru4 S8 -","4","1","","Risi, Matthew C.; Stjärnhage, Julia; Henderson, William; Lane, Joseph R.; Hartinger, Christian G.; Saunders, Graham C.","The coordination chemistry and anticancer activity of organo-ruthenium(II), -iridium(III) and -rhodium(III) complexes with sulfonyl-substituted thiourea ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","539","549","10.1039/d4dt02733g","","x-ray","1.54184","CuKα","","0.0449","0.0365","","","0.0858","0.0905","","","","","","1.054","","","","has coordinates,has disorder","298878","2025-04-05","02:52:54",""
"7717546","7.1095","0.0001","10.2048","0.0002","14.9475","0.0003","103.603","0.002","92.669","0.002","100.473","0.002","1031.94","0.03","99.9","0.6","99.9","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C19 H25 Cl N2 O2 Ru S2 -","- C19 H25 Cl N2 O2 Ru S2 -","- C38 H50 Cl2 N4 O4 Ru2 S4 -","2","1","","Risi, Matthew C.; Stjärnhage, Julia; Henderson, William; Lane, Joseph R.; Hartinger, Christian G.; Saunders, Graham C.","The coordination chemistry and anticancer activity of organo-ruthenium(II), -iridium(III) and -rhodium(III) complexes with sulfonyl-substituted thiourea ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","539","549","10.1039/d4dt02733g","","x-ray","1.54184","CuKα","","0.0248","0.0226","","","0.0521","0.0531","","","","","","1.0267","","","","has coordinates","298878","2025-04-05","02:52:54",""
"7717547","9.2306","0.0001","9.8609","0.0001","23.0693","0.0002","78.126","0.001","89.588","0.001","64.356","0.001","1844.49","0.04","100.1","0.6","100.1","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C42 H41 N2 O2 P Ru S2 -","- C42 H41 N2 O2 P Ru S2 -","- C84 H82 N4 O4 P2 Ru2 S4 -","2","1","","Risi, Matthew C.; Stjärnhage, Julia; Henderson, William; Lane, Joseph R.; Hartinger, Christian G.; Saunders, Graham C.","The coordination chemistry and anticancer activity of organo-ruthenium(II), -iridium(III) and -rhodium(III) complexes with sulfonyl-substituted thiourea ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","539","549","10.1039/d4dt02733g","","x-ray","1.54184","CuKα","","0.0324","0.0315","","","0.0811","0.0817","","","","","","1.0377","","","","has coordinates","298878","2025-04-05","02:52:54",""
"7717548","11.9061","0.0002","16.404","0.0002","26.5797","0.0003","90","","91.392","0.001","90","","5189.69","0.12","99.9","0.5","99.9","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H67 Ir N7 O9 P S4 -","- C44 H53 Ir N7 O4 P S4 -","- C176 H212 Ir4 N28 O16 P4 S16 -","4","1","","Risi, Matthew C.; Stjärnhage, Julia; Henderson, William; Lane, Joseph R.; Hartinger, Christian G.; Saunders, Graham C.","The coordination chemistry and anticancer activity of organo-ruthenium(II), -iridium(III) and -rhodium(III) complexes with sulfonyl-substituted thiourea ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","539","549","10.1039/d4dt02733g","","x-ray","1.54184","CuKα","","0.0476","0.0437","","","0.1209","0.1249","","","","","","0.7073","","","","has coordinates","298878","2025-04-05","02:52:54",""
"7717549","23.0707","0.0003","8.983","0.0001","33.0254","0.0003","90","","108.467","0.001","90","","6491.88","0.13","99.9","0.5","99.9","0.5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 Cl N5 O2.5 P Rh S2 -","- C30 H41 Cl N5 O2.5 P Rh S2 -","- C240 H328 Cl8 N40 O20 P8 Rh8 S16 -","8","2","","Risi, Matthew C.; Stjärnhage, Julia; Henderson, William; Lane, Joseph R.; Hartinger, Christian G.; Saunders, Graham C.","The coordination chemistry and anticancer activity of organo-ruthenium(II), -iridium(III) and -rhodium(III) complexes with sulfonyl-substituted thiourea ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","539","549","10.1039/d4dt02733g","","x-ray","1.54184","CuKα","","0.0375","0.0295","","","0.0641","0.0674","","","","","","1.0148","","","","has coordinates","298878","2025-04-05","02:52:54",""
"7717550","38.4923","0.0002","9.4893","0.00005","18.13669","0.0001","90","","97.5287","0.0005","90","","6567.59","0.06","120","0.1","120","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H44 N5 O4 P Ru S2 -","- C30 H40 N5 O3 P Ru S2 -","- C240 H320 N40 O24 P8 Ru8 S16 -","8","1","","Risi, Matthew C.; Stjärnhage, Julia; Henderson, William; Lane, Joseph R.; Hartinger, Christian G.; Saunders, Graham C.","The coordination chemistry and anticancer activity of organo-ruthenium(II), -iridium(III) and -rhodium(III) complexes with sulfonyl-substituted thiourea ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","539","549","10.1039/d4dt02733g","","x-ray","1.54184","CuKα","","0.0244","0.0234","","","0.0627","0.0631","","","","","","1.0653","","","","has coordinates,has disorder","298878","2025-04-05","02:52:54",""
"7717551","11.17593","0.00008","19.26021","0.00016","20.25129","0.00016","90","","99.7002","0.0007","90","","4296.78","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H63 Mo3 O S4 U -","- C41 H63 Mo3 O S4 U -","- C164 H252 Mo12 O4 S16 U4 -","4","1","","Patra, Kamaless; Brennessel, William W.; Matson, Ellen M.","p<i>K</i><sub>a</sub> of alcohols dictates their reactivity with reduced uranium-substituted thiomolybdate clusters.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","966","976","10.1039/d4dt02803a","","x-ray","1.54184","CuKα","","0.051","0.0457","","","0.111","0.1137","","","","","","1.042","","","","has coordinates","298947","2025-04-05","03:24:32",""
"7717552","10.99181","0.00006","20.28569","0.00011","24.7317","0.00015","90","","90","","90","","5514.59","0.05","100.01","0.1","100.01","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H70 D6 Mo3 O2 S4 U -","- C58 H70 D6 Mo3 O2 S4 U -","- C232 H280 D24 Mo12 O8 S16 U4 -","4","1","","Patra, Kamaless; Brennessel, William W.; Matson, Ellen M.","p<i>K</i><sub>a</sub> of alcohols dictates their reactivity with reduced uranium-substituted thiomolybdate clusters.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","966","976","10.1039/d4dt02803a","","x-ray","1.54184","CuKα","","0.0264","0.0249","","","0.0541","0.0547","","","","","","1.057","","","","has coordinates,has disorder","298947","2025-04-05","03:24:33",""
"7717553","10.97728","0.00007","17.85746","0.00011","24.61165","0.00016","90","","96.2794","0.0006","90","","4795.59","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H72 Mo3 O3 S4 U -","- C42 H72 Mo3 O3 S4 U -","- C168 H288 Mo12 O12 S16 U4 -","4","1","","Patra, Kamaless; Brennessel, William W.; Matson, Ellen M.","p<i>K</i><sub>a</sub> of alcohols dictates their reactivity with reduced uranium-substituted thiomolybdate clusters.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","966","976","10.1039/d4dt02803a","","x-ray","1.54184","CuKα","","0.0297","0.0249","","","0.0581","0.0599","","","","","","1.025","","","","has coordinates,has disorder","298947","2025-04-05","03:24:33",""
"7717554","11.11244","0.00009","20.41551","0.00016","24.6678","0.0002","90","","97.3244","0.0008","90","","5550.62","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56.5 H75 Cl2 Mo3 O S4 U -","- C56.5 H75 Cl2 Mo3 O S4 U -","- C226 H300 Cl8 Mo12 O4 S16 U4 -","4","1","","Patra, Kamaless; Brennessel, William W.; Matson, Ellen M.","p<i>K</i><sub>a</sub> of alcohols dictates their reactivity with reduced uranium-substituted thiomolybdate clusters.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","966","976","10.1039/d4dt02803a","","x-ray","1.54184","CuKα","","0.0307","0.0286","","","0.0704","0.0713","","","","","","1.052","","","","has coordinates,has disorder","298947","2025-04-05","03:24:33",""
"7717555","9.761","0.002","11.913","0.003","15.666","0.004","109.64","0.006","105.304","0.006","92.463","0.006","1637.4","0.7","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 B F4 Fe N6 O4 -","- C36 H28 B F4 Fe N6 O4 -","- C72 H56 B2 F8 Fe2 N12 O8 -","2","1","","Wu, Jianfeng; Li, Mengtao; Yang, Qianqian; Zhang, Baoliang; Tang, Jinkui","Two-step spin transition around room temperature in a Fe<sup>III</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1231","1238","10.1039/d4dt02736a","","","0.71073","MoKα","","0.1048","0.0727","","","0.1772","0.1987","","","","","","1.061","","","","has coordinates,has disorder","298933","2025-04-05","03:19:41",""
"7717556","9.759","0.003","11.931","0.004","15.722","0.005","109.164","0.008","104.656","0.007","92.625","0.009","1656.2","0.9","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cl Fe N6 O8 -","- C36 H28 Cl Fe N6 O8 -","- C72 H56 Cl2 Fe2 N12 O16 -","2","1","","Wu, Jianfeng; Li, Mengtao; Yang, Qianqian; Zhang, Baoliang; Tang, Jinkui","Two-step spin transition around room temperature in a Fe<sup>III</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1231","1238","10.1039/d4dt02736a","","","0.71073","MoKα","","0.1277","0.073","","","0.1734","0.2054","","","","","","1.047","","","","has coordinates","298933","2025-04-05","03:19:41",""
"7717557","9.8367","0.0015","12.3022","0.0018","15.802","0.002","110.103","0.004","106.164","0.004","90.677","0.004","1712.5","0.4","220","","220","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 B F4 Fe N6 O4 -","- C36 H28 B F4 Fe N6 O4 -","- C72 H56 B2 F8 Fe2 N12 O8 -","2","1","","Wu, Jianfeng; Li, Mengtao; Yang, Qianqian; Zhang, Baoliang; Tang, Jinkui","Two-step spin transition around room temperature in a Fe<sup>III</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1231","1238","10.1039/d4dt02736a","","","0.71073","MoKα","","0.3388","0.2749","","","0.521","0.5648","","","","","","1.767","","","","has coordinates,has disorder","298933","2025-04-05","03:19:41",""
"7717558","9.7833","0.0015","11.9474","0.0018","15.724","0.002","109.494","0.004","105.229","0.004","92.47","0.004","1654.3","0.4","190","","190","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 B F4 Fe N6 O4 -","- C36 H28 B F4 Fe N6 O4 -","- C72 H56 B2 F8 Fe2 N12 O8 -","2","1","","Wu, Jianfeng; Li, Mengtao; Yang, Qianqian; Zhang, Baoliang; Tang, Jinkui","Two-step spin transition around room temperature in a Fe<sup>III</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1231","1238","10.1039/d4dt02736a","","","0.71073","MoKα","","0.0838","0.0599","","","0.1443","0.1577","","","","","","1.066","","","","has coordinates,has disorder","298933","2025-04-05","03:19:41",""
"7717559","9.7125","0.0017","12.608","0.002","15.64","0.002","71.472","0.004","73.006","0.004","89.279","0.004","1729.8","0.5","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cl Fe N6 O8 -","- C36 H28 Cl Fe N6 O8 -","- C72 H56 Cl2 Fe2 N12 O16 -","2","1","","Wu, Jianfeng; Li, Mengtao; Yang, Qianqian; Zhang, Baoliang; Tang, Jinkui","Two-step spin transition around room temperature in a Fe<sup>III</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1231","1238","10.1039/d4dt02736a","","","0.71073","MoKα","","0.0846","0.0645","","","0.1707","0.1882","","","","","","1.036","","","","has coordinates,has disorder","298933","2025-04-05","03:19:41",""
"7717560","9.786","0.006","12.619","0.007","15.625","0.011","71.31","0.02","72.147","0.014","88.655","0.014","1733.8","1.9","360","","360","","","","","","","","","7","P -1","-P 1","2","","","","- C35.43 H27.15 B F4 Fe N5.71 O4 -","- C35.4322 H27.1483 B F4 Fe N5.7161 O4 -","- C70.8644 H54.2966 B2 F8 Fe2 N11.4322 O8 -","2","1","","Wu, Jianfeng; Li, Mengtao; Yang, Qianqian; Zhang, Baoliang; Tang, Jinkui","Two-step spin transition around room temperature in a Fe<sup>III</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1231","1238","10.1039/d4dt02736a","","","0.71073","MoKα","","0.1264","0.0721","","","0.185","0.2245","","","","","","1.029","","","","has coordinates,has disorder","298933","2025-04-05","03:19:41",""
"7717561","9.715","0.006","12.574","0.007","15.494","0.011","70.82","0.02","71.741","0.014","88.304","0.014","1691.9","1.9","245","","245","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 B F4 Fe N6 O4 -","- C36 H28 B F4 Fe N6 O4 -","- C72 H56 B2 F8 Fe2 N12 O8 -","2","1","","Wu, Jianfeng; Li, Mengtao; Yang, Qianqian; Zhang, Baoliang; Tang, Jinkui","Two-step spin transition around room temperature in a Fe<sup>III</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1231","1238","10.1039/d4dt02736a","","","0.71073","MoKα","","0.1252","0.0757","","","0.181","0.2106","","","","","","1.093","","","","has coordinates,has disorder","298933","2025-04-05","03:19:41",""
"7717562","9.731","0.006","12.572","0.007","15.537","0.011","70.83","0.02","71.806","0.014","88.482","0.014","1699.5","1.9","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 B F4 Fe N6 O4 -","- C36 H28 B F4 Fe N6 O4 -","- C72 H56 B2 F8 Fe2 N12 O8 -","2","1","","Wu, Jianfeng; Li, Mengtao; Yang, Qianqian; Zhang, Baoliang; Tang, Jinkui","Two-step spin transition around room temperature in a Fe<sup>III</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1231","1238","10.1039/d4dt02736a","","","0.71073","MoKα","","0.089","0.0591","","","0.1471","0.1658","","","","","","1.024","","","","has coordinates,has disorder","298933","2025-04-05","03:19:41",""
"7717563","9.7018","0.0005","9.7018","0.0005","13.7933","0.001","90","","90","","90","","1298.29","0.13","200","2","200","2","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","","","- Rh6 Sn18 Yb5 -","- Rh6 Sn18 Yb5 -","- Rh12 Sn36 Yb10 -","2","0.125","","Bolielyi, Oleksandr; Levytskyi, Volodymyr; Wagler, Jörg; Kvashnina, Kristina O.; Kundys, Bohdan; Leithe-Jasper, Andreas; Gumeniuk, Roman","Yb<sub>5</sub>Rh<sub>6</sub>Sn<sub>18</sub>: a valence fluctuating system with ultra-low thermal conductivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","784","796","10.1039/d4dt02759k","","","0.71073","MoKα","","0.0569","0.0423","","","0.1084","0.1164","","","","","","1.022","","","","has coordinates","298883","2025-04-05","02:55:34",""
"7717564","18.2666","0.0013","21.1885","0.0014","21.1999","0.0014","60.445","0.002","64.889","0.002","86.266","0.002","6353.8","0.8","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H126 Ag5.81 Cu5.2 F12 O P8 S9 -","- C102 H125.999 Ag5.8043 Cu5.1957 F12 O P8 S9 -","- C204 H251.999 Ag11.6086 Cu10.3914 F24 O2 P16 S18 -","2","1","","Jin, Jun-Ling; Zhang, Sheng-Fa; Fang, Jun-Jie; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Assembly of silver(I)-copper(I) bimetallic thiolate complexes assisted by phenylacetylene stabilizers.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1270","1275","10.1039/d4dt02753a","","","0.71073","MoKα","","0.0935","0.0543","","","0.1388","0.1647","","","","","","1.04","","","","has coordinates,has disorder","298936","2025-04-05","03:20:38",""
"7717565","14.7623","0.0009","17.4036","0.0012","17.9645","0.0011","111.478","0.002","110.109","0.002","98.581","0.002","3828","0.4","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C82 H186 Ag21 Cu4 F24 N4 O4 P4 S20 -","- C82 H174 Ag21 Cu4 F24 N4 O4 P4 S20 -","- C82 H174 Ag21 Cu4 F24 N4 O4 P4 S20 -","1","0.5","","Jin, Jun-Ling; Zhang, Sheng-Fa; Fang, Jun-Jie; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Assembly of silver(I)-copper(I) bimetallic thiolate complexes assisted by phenylacetylene stabilizers.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1270","1275","10.1039/d4dt02753a","","","0.71073","MoKα","","0.1101","0.0625","","","0.1562","0.1809","","","","","","1.011","","","","has coordinates,has disorder","298936","2025-04-05","03:20:38",""
"7717566","4.5772","0.0002","18.3853","0.001","8.1572","0.0004","90","","95.268","0.002","90","","683.55","0.06","160","2","160","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 N4 O4 Pd -","- C12 H14 N4 O4 Pd -","- C24 H28 N8 O8 Pd2 -","2","0.5","","Pantelis, Konstantinos N.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Tang, Jinkui; Stamatatos, Theocharis C.","Square planar Pd(II)/oximate complexes as 'metalloligands' for the directional assembly of 4f-metal ions: a new family of {Ln<sub>2</sub>Pd} (Ln = lanthanide) clusters exhibiting slow magnetization relaxation.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","977","988","10.1039/d4dt02691h","","","0.71073","MoKα","","0.0334","0.0206","","","0.0453","0.0492","","","","","","1.024","","","","has coordinates,has disorder","298949","2025-04-05","03:25:18",""
"7717567","12.1673","0.0002","12.7713","0.0002","13.0477","0.0002","91.807","0.001","96.213","0.001","98.618","0.001","1990.49","0.05","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H62 Dy2 N26 O32 Pd5 -","- C62 H62 Dy2 N26 O32 Pd5 -","- C62 H62 Dy2 N26 O32 Pd5 -","1","0.5","","Pantelis, Konstantinos N.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Tang, Jinkui; Stamatatos, Theocharis C.","Square planar Pd(II)/oximate complexes as 'metalloligands' for the directional assembly of 4f-metal ions: a new family of {Ln<sub>2</sub>Pd} (Ln = lanthanide) clusters exhibiting slow magnetization relaxation.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","977","988","10.1039/d4dt02691h","","","0.71073","MoKα","","0.0256","0.0231","","","0.0496","0.0502","","","","","","1.168","","","","has coordinates,has disorder","298949","2025-04-05","03:25:19",""
"7717568","12.1945","0.0011","12.7509","0.0012","13.0041","0.0014","91.61","0.003","96.362","0.003","98.873","0.003","1983.4","0.3","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H62 N26 O32 Pd5 Yb2 -","- C62.216 H62 N26 O32 Pd5 Yb2 -","- C62.216 H62 N26 O32 Pd5 Yb2 -","1","0.5","","Pantelis, Konstantinos N.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Tang, Jinkui; Stamatatos, Theocharis C.","Square planar Pd(II)/oximate complexes as 'metalloligands' for the directional assembly of 4f-metal ions: a new family of {Ln<sub>2</sub>Pd} (Ln = lanthanide) clusters exhibiting slow magnetization relaxation.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","977","988","10.1039/d4dt02691h","","","0.71073","MoKα","","0.0766","0.0539","","","0.1227","0.1375","","","","","","1.08","","","","has coordinates,has disorder","298949","2025-04-05","03:25:19",""
"7717569","12.1672","0.0007","12.7842","0.0005","13.095","0.0007","91.639","0.001","96.348","0.001","98.546","0.001","1999.83","0.18","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H62 Gd2 N26 O32 Pd5 -","- C62.132 H62 Gd2 N26 O32 Pd5 -","- C62.132 H62 Gd2 N26 O32 Pd5 -","1","0.5","","Pantelis, Konstantinos N.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Tang, Jinkui; Stamatatos, Theocharis C.","Square planar Pd(II)/oximate complexes as 'metalloligands' for the directional assembly of 4f-metal ions: a new family of {Ln<sub>2</sub>Pd} (Ln = lanthanide) clusters exhibiting slow magnetization relaxation.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","977","988","10.1039/d4dt02691h","","","0.71073","MoKα","","0.0713","0.0489","","","0.1019","0.1114","","","","","","1.054","","","","has coordinates,has disorder","298949","2025-04-05","03:25:19",""
"7717570","12.1819","0.0006","12.765","0.0005","13.0467","0.0006","91.676","0.001","96.338","0.001","98.823","0.001","1990.32","0.16","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H62 Er2 N26 O32 Pd5 -","- C62 H62 Er2 N26 O32 Pd5 -","- C62 H62 Er2 N26 O32 Pd5 -","1","0.5","","Pantelis, Konstantinos N.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Tang, Jinkui; Stamatatos, Theocharis C.","Square planar Pd(II)/oximate complexes as 'metalloligands' for the directional assembly of 4f-metal ions: a new family of {Ln<sub>2</sub>Pd} (Ln = lanthanide) clusters exhibiting slow magnetization relaxation.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","977","988","10.1039/d4dt02691h","","","0.71073","MoKα","","0.0568","0.041","","","0.0897","0.0976","","","","","","1.059","","","","has coordinates,has disorder","298949","2025-04-05","03:25:19",""
"7717571","9.4203","0.0002","10.0299","0.0003","15.1993","0.0004","95.869","0.001","105.941","0.001","113.318","0.001","1231.36","0.06","120","","120","","","","","","","","","5","P 1","P 1","1","","","","- C15 H42 Br18 N6 Sb4 -","- C15 H42 Br18 N6 Sb4 -","- C15 H42 Br18 N6 Sb4 -","1","1","","Bykov, Andrei V.; Shestimerova, Tatiana A.; Bykov, Mikhail A.; Gontcharenko, Victoria E.; Lyssenko, Konstantin A.; Metlin, Mikhail T.; Taydakov, Ilya V.; Grigorieva, Anastasia V.; Shevelkov, Andrei V.","Photoluminescent chain-of-dimer anion in a novel hybrid halometallate (C<sub>5</sub>H<sub>14</sub>N<sub>2</sub>)<sub>3</sub>{Sb<sub>2</sub>Br<sub>9</sub>}<sub>2</sub>: atypical behavior in one-dimensional anionic systems.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1541","1551","10.1039/d4dt02751e","","","0.71073","MoKα","","0.063","0.0487","","","0.1364","0.1503","","","","","","1.005","","","","has coordinates","298873","2025-04-05","02:47:08",""
"7717572","9.185","0.0004","17.3019","0.0006","12.1405","0.0004","90","","90.977","0.002","90","","1929.06","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 B Cu F4 N6 O -","- C17 H13 B Cu F4 N6 O -","- C68 H52 B4 Cu4 F16 N24 O4 -","4","1","","Liyanage, Hansani T Lekam Wasam; Smith, Mark D.; Wheeler, Kraig A.; Semeniuc, Radu F.","Accessing bimetallic complexes through a variable bridging ligand strategy.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1063","1078","10.1039/d4dt02903h","","x-ray","1.54178","CuKα","K-L~3~","0.0563","0.0446","","","0.135","0.1667","","","","","","1.061","","","","has coordinates","298935","2025-04-05","03:20:19",""
"7717573","8.8835","0.0003","15.2234","0.0005","9.6987","0.0003","90","","112.045","0.002","90","","1215.73","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Cu N10 O3 -","- C25 H20 Cu N10 O3 -","- C50 H40 Cu2 N20 O6 -","2","1","","Liyanage, Hansani T Lekam Wasam; Smith, Mark D.; Wheeler, Kraig A.; Semeniuc, Radu F.","Accessing bimetallic complexes through a variable bridging ligand strategy.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1063","1078","10.1039/d4dt02903h","","x-ray","1.54178","CuKα","K-L~3~","0.024","0.0235","","","0.0597","0.0601","","","","","","1.048","","","","has coordinates","298935","2025-04-05","03:20:19",""
"7717574","9.6542","0.0006","13.8554","0.0008","16.0283","0.0009","114.194","0.003","93.294","0.003","103.183","0.003","1876.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32.56 Cu2 N12 O6.51 -","- C38 H32.56 Cu2 N12 O6.509 -","- C76 H65.12 Cu4 N24 O13.018 -","2","1","","Liyanage, Hansani T Lekam Wasam; Smith, Mark D.; Wheeler, Kraig A.; Semeniuc, Radu F.","Accessing bimetallic complexes through a variable bridging ligand strategy.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1063","1078","10.1039/d4dt02903h","","x-ray","1.54178","CuKα","K-L~3~","0.0424","0.0376","","","0.0947","0.0986","","","","","","1.118","","","","has coordinates,has disorder","298935","2025-04-05","03:20:19",""
"7717575","29.99","0.003","8.1215","0.0008","17.963","0.0016","90","","104.213","0.004","90","","4241.2","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Cl Cu N7 O5 -","- C19 H16 Cl Cu N7 O5 -","- C152 H128 Cl8 Cu8 N56 O40 -","8","1","","Liyanage, Hansani T Lekam Wasam; Smith, Mark D.; Wheeler, Kraig A.; Semeniuc, Radu F.","Accessing bimetallic complexes through a variable bridging ligand strategy.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1063","1078","10.1039/d4dt02903h","","x-ray","1.54178","CuKα","K-L~3~","0.0369","0.0351","","","0.0893","0.0904","","","","","","1.061","","","","has coordinates,has disorder","298935","2025-04-05","03:20:19",""
"7717576","7.9593","0.0006","12.073","0.0009","15.9301","0.0011","69.659","0.004","81.772","0.004","89.586","0.004","1419.04","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.56 H25.13 Cl1.13 Cu N10 O3 -","- C27.566 H25.132 Cl1.132 Cu N10 O3 -","- C55.132 H50.264 Cl2.264 Cu2 N20 O6 -","2","1","","Liyanage, Hansani T Lekam Wasam; Smith, Mark D.; Wheeler, Kraig A.; Semeniuc, Radu F.","Accessing bimetallic complexes through a variable bridging ligand strategy.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1063","1078","10.1039/d4dt02903h","","","1.54178","CuKα","","0.0456","0.0382","","","0.0973","0.1091","","","","","","1.089","","","","has coordinates,has disorder","298935","2025-04-05","03:20:19",""
"7717577","25.722","0.004","15.807","0.002","34.48","0.006","90","","95.155","0.01","90","","13962","4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C54.76 H49.52 Cl1.52 Cu3 F6 N20 O6 P -","- C54 H48 Cu3 F6 N20 O6 P -","- C432 H384 Cu24 F48 N160 O48 P8 -","8","1","","Liyanage, Hansani T Lekam Wasam; Smith, Mark D.; Wheeler, Kraig A.; Semeniuc, Radu F.","Accessing bimetallic complexes through a variable bridging ligand strategy.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1063","1078","10.1039/d4dt02903h","","x-ray","1.54184","CuKα","","0.1198","0.0702","","","0.1672","0.2004","","","","","","1.012","","","","has coordinates","298935","2025-04-05","03:20:19",""
"7717578","13.4052","0.0007","14.3404","0.0007","19.2792","0.0009","77.04","0.003","70.484","0.003","81.514","0.003","3393.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H60 Cl6 Cu2 N11 O6 P2 -","- C64 H56 Cl2 Cu2 N11 O6 P2 -","- C128 H112 Cl4 Cu4 N22 O12 P4 -","2","1","","Liyanage, Hansani T Lekam Wasam; Smith, Mark D.; Wheeler, Kraig A.; Semeniuc, Radu F.","Accessing bimetallic complexes through a variable bridging ligand strategy.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1063","1078","10.1039/d4dt02903h","","x-ray","1.54178","CuKα","K-L~3~","0.0496","0.0408","","","0.1064","0.1185","","","","","","1.063","","","","has coordinates,has disorder","298935","2025-04-05","03:20:19",""
"7717582","6.992","0.0002","10.1133","0.0003","27.3441","0.0009","90","","90","","90","","1933.56","0.1","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 B10 -","- C17 H24 B10 -","- C68 H96 B40 -","4","1","","Kim, Soyeon; You, Dong Kyun; Kim, Namkyun; Shin, Ilsup; Kim, Dongwook; Lee, Kang Mun","Modulating radiative efficiency in <i>ortho</i>-carboranyl luminophores through electron-donating substituents: insights from intramolecular-charge-transfer-based emissions.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1164","1172","10.1039/d4dt02897j","","","0.71073","MoKα","","0.0513","0.043","","","0.1057","0.1122","","","","","","1.052","","","","has coordinates","298948","2025-04-05","03:24:58",""
"7717583","11.2901","0.0006","9.1352","0.0004","25.977","0.0012","90","","93.4738","0.0018","90","","2674.3","0.2","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 B10 Si -","- C23 H38 B10 Si -","- C92 H152 B40 Si4 -","4","1","","Kim, Soyeon; You, Dong Kyun; Kim, Namkyun; Shin, Ilsup; Kim, Dongwook; Lee, Kang Mun","Modulating radiative efficiency in <i>ortho</i>-carboranyl luminophores through electron-donating substituents: insights from intramolecular-charge-transfer-based emissions.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1164","1172","10.1039/d4dt02897j","","","0.71073","MoKα","","0.0984","0.0605","","","0.1184","0.1373","","","","","","1.07","","","","has coordinates","298948","2025-04-05","03:24:58",""
"7717584","9.0417","0.0004","11.243","0.0005","12.4505","0.0006","98.903","0.0015","93.8354","0.0017","91.7182","0.0018","1246.57","0.1","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H34 B10 Si -","- C21 H34 B10 Si -","- C42 H68 B20 Si2 -","2","1","","Kim, Soyeon; You, Dong Kyun; Kim, Namkyun; Shin, Ilsup; Kim, Dongwook; Lee, Kang Mun","Modulating radiative efficiency in <i>ortho</i>-carboranyl luminophores through electron-donating substituents: insights from intramolecular-charge-transfer-based emissions.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1164","1172","10.1039/d4dt02897j","","","0.71073","MoKα","","0.0739","0.0517","","","0.1287","0.1424","","","","","","1.03","","","","has coordinates,has disorder","298948","2025-04-05","03:24:58",""
"7717585","11.0532","0.0006","13.0146","0.0006","19.2255","0.0009","95.7529","0.0018","90.2216","0.0019","105.569","0.0016","2649.4","0.2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H38 B10 Si -","- C23 H38 B10 Si -","- C92 H152 B40 Si4 -","4","2","","Kim, Soyeon; You, Dong Kyun; Kim, Namkyun; Shin, Ilsup; Kim, Dongwook; Lee, Kang Mun","Modulating radiative efficiency in <i>ortho</i>-carboranyl luminophores through electron-donating substituents: insights from intramolecular-charge-transfer-based emissions.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1164","1172","10.1039/d4dt02897j","","","0.71073","MoKα","","0.1236","0.0649","","","0.126","0.1526","","","","","","1.047","","","","has coordinates,has disorder","298948","2025-04-05","03:24:58",""
"7717586","9.3569","0.0006","10.8812","0.0006","12.1208","0.0007","98.2648","0.0019","94.752","0.002","92.699","0.002","1214.88","0.12","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H32 B10 Si -","- C20 H32 B10 Si -","- C40 H64 B20 Si2 -","2","1","","Kim, Soyeon; You, Dong Kyun; Kim, Namkyun; Shin, Ilsup; Kim, Dongwook; Lee, Kang Mun","Modulating radiative efficiency in <i>ortho</i>-carboranyl luminophores through electron-donating substituents: insights from intramolecular-charge-transfer-based emissions.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1164","1172","10.1039/d4dt02897j","","","0.71073","MoKα","","0.0568","0.045","","","0.114","0.1229","","","","","","1.021","","","","has coordinates,has disorder","298948","2025-04-05","03:24:58",""
"7717587","11.5149","0.0007","14.8401","0.001","21.6004","0.0015","103.837","0.002","95.28","0.002","99.771","0.002","3497.9","0.4","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H38 B10 Si -","- C35 H38 B10 Si -","- C140 H152 B40 Si4 -","4","2","","Kim, Soyeon; You, Dong Kyun; Kim, Namkyun; Shin, Ilsup; Kim, Dongwook; Lee, Kang Mun","Modulating radiative efficiency in <i>ortho</i>-carboranyl luminophores through electron-donating substituents: insights from intramolecular-charge-transfer-based emissions.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","1164","1172","10.1039/d4dt02897j","","","0.71073","MoKα","","0.1139","0.068","","","0.1155","0.1368","","","","","","1.084","","","","has coordinates,has disorder","298948","2025-04-05","03:24:58",""
"7717589","6.257","0.0002","6.257","0.0002","6.257","0.0002","90","","90","","90","","244.962","0.014","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C2 Br0.85 I2.15 N Pb -","- C2.0004 Br0.84 I2.16 N0.9996 Pb -","- C2.0004 Br0.84 I2.16 N0.9996 Pb -","1","0.0208333","","Kucheriv, Olesia I.; Haleliuk, Dmytro A.; Shova, Sergiu; Gural'skiy, Il'ya A.","Fine-tuning of optical band gap in mixed halide aziridinium lead perovskites.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1618","1624","10.1039/d4dt02879a","","x-ray","1.54184","CuKα","","0.0673","0.0663","","","0.182","0.1852","","","","","","1.185","","","","has coordinates,has disorder","298283","2025-03-04","20:23:12",""
"7717590","6.0891","0.0002","6.0891","0.0002","6.0891","0.0002","90","","90","","90","","225.766","0.013","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C2 Br2.01 I0.99 N Pb -","- C2.0004 Br2.01 I0.99 N0.9996 Pb -","- C2.0004 Br2.01 I0.99 N0.9996 Pb -","1","0.0208333","","Kucheriv, Olesia I.; Haleliuk, Dmytro A.; Shova, Sergiu; Gural'skiy, Il'ya A.","Fine-tuning of optical band gap in mixed halide aziridinium lead perovskites.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1618","1624","10.1039/d4dt02879a","","x-ray","0.71073","MoKα","","0.0474","0.0353","","","0.0822","0.0847","","","","","","1.001","","","","has coordinates,has disorder","298283","2025-03-04","20:23:14",""
"7717591","6.33861","0.00018","6.33861","0.00018","6.33861","0.00018","90","","90","","90","","254.673","0.013","250","0.4","250.15","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C2 Br0.09 I2.91 N Pb -","- C2.0004 Br0.087 I2.913 N0.9996 Pb -","- C2.0004 Br0.087 I2.913 N0.9996 Pb -","1","0.0208333","","Kucheriv, Olesia I.; Haleliuk, Dmytro A.; Shova, Sergiu; Gural'skiy, Il'ya A.","Fine-tuning of optical band gap in mixed halide aziridinium lead perovskites.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1618","1624","10.1039/d4dt02879a","","","0.71073","MoKα","","0.014","0.014","","","0.0428","0.0428","","","","","","1.25","","","","has coordinates,has disorder","298283","2025-03-04","20:23:15",""
"7717592","5.9968","0.0003","5.9968","0.0003","5.9968","0.0003","90","","90","","90","","215.655","0.019","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C2 Br2.8 I0.2 N Pb -","- C2.0004 Br2.79 I0.21 N0.9996 Pb -","- C2.0004 Br2.79 I0.21 N0.9996 Pb -","1","0.0208333","","Kucheriv, Olesia I.; Haleliuk, Dmytro A.; Shova, Sergiu; Gural'skiy, Il'ya A.","Fine-tuning of optical band gap in mixed halide aziridinium lead perovskites.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1618","1624","10.1039/d4dt02879a","","x-ray","1.54184","CuKα","","0.0437","0.0437","","","0.1073","0.1073","","","","","","1.174","","","","has coordinates,has disorder","298283","2025-03-04","20:23:15",""
"7717593","6.3506","0.0001","6.3506","0.0001","6.3506","0.0001","90","","90","","90","","256.12","0.007","250","0.3","250","0.3","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C2 Br0.04 I2.96 N Pb -","- C2.0004 Br0.03 I2.97 N0.9996 Pb -","- C2.0004 Br0.03 I2.97 N0.9996 Pb -","1","0.0208333","","Kucheriv, Olesia I.; Haleliuk, Dmytro A.; Shova, Sergiu; Gural'skiy, Il'ya A.","Fine-tuning of optical band gap in mixed halide aziridinium lead perovskites.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1618","1624","10.1039/d4dt02879a","","x-ray","0.71073","MoKα","","0.0302","0.03","","","0.0861","0.0861","","","","","","1.132","","","","has coordinates,has disorder","298283","2025-03-04","20:23:15",""
"7717594","6.1096","0.0001","6.1096","0.0001","6.1096","0.0001","90","","90","","90","","228.054","0.006","230","2","230","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C2 Br1.96 I1.04 N Pb -","- C2.0004 Br1.959 I1.041 N0.9996 Pb -","- C2.0004 Br1.959 I1.041 N0.9996 Pb -","1","0.0208333","","Kucheriv, Olesia I.; Haleliuk, Dmytro A.; Shova, Sergiu; Gural'skiy, Il'ya A.","Fine-tuning of optical band gap in mixed halide aziridinium lead perovskites.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1618","1624","10.1039/d4dt02879a","","","1.54184","CuKα","","0.0171","0.0171","","","0.0578","0.0578","","","","","","1.227","","","","has coordinates,has disorder","298283","2025-03-04","20:23:15",""
"7717595","6.0775","0.0003","6.0775","0.0003","6.0775","0.0003","90","","90","","90","","224.479","0.019","250","2","250","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C2 Br2.08 I0.92 N Pb -","- C2.0004 Br2.079 I0.921 N0.9996 Pb -","- C2.0004 Br2.079 I0.921 N0.9996 Pb -","1","0.0208333","","Kucheriv, Olesia I.; Haleliuk, Dmytro A.; Shova, Sergiu; Gural'skiy, Il'ya A.","Fine-tuning of optical band gap in mixed halide aziridinium lead perovskites.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1618","1624","10.1039/d4dt02879a","","x-ray","0.71073","MoKα","","0.0176","0.0176","","","0.0423","0.0423","","","","","","1.116","","","","has coordinates,has disorder","298283","2025-03-04","20:23:15",""
"7717596","9.0724","0.0005","9.1851","0.0005","13.8604","0.0007","88.933","0.004","78.708","0.004","63.108","0.006","1006.92","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H30 Sn -","- C22 H30 Sn -","- C44 H60 Sn2 -","2","1","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2301","2307","10.1039/d4dt03148b","","","0.71073","MoKα","","0.0347","0.0321","","","0.0778","0.0792","","","","","","1.143","","","","has coordinates","298897","2025-04-05","03:01:02",""
"7717597","14.1189","0.0005","7.9834","0.0003","22.9967","0.0007","90","","90","","90","","2592.12","0.16","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H20 Al Br3 N4 -","- C20 H20 Al Br3 N4 -","- C80 H80 Al4 Br12 N16 -","4","0.5","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2301","2307","10.1039/d4dt03148b","","","0.71073","MoKα","","0.0381","0.0293","","","0.0706","0.0744","","","","","","1.054","","","","has coordinates,has disorder","298897","2025-04-05","03:01:02",""
"7717598","8.8787","0.0006","9.5697","0.0007","14.8476","0.0009","75.692","0.006","75.093","0.005","76.432","0.006","1161.41","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Al Br N -","- C25 H29 Al Br N -","- C50 H58 Al2 Br2 N2 -","2","1","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2301","2307","10.1039/d4dt03148b","","","0.71073","MoKα","","0.0455","0.0355","","","0.0841","0.0894","","","","","","1.026","","","","has coordinates,has disorder","298897","2025-04-05","03:01:02",""
"7717599","9.2544","0.0011","12.0149","0.0011","17.0828","0.0017","90","","90.972","0.01","90","","1899.2","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H54 Al2 -","- C42 H54 Al2 -","- C84 H108 Al4 -","2","0.5","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2301","2307","10.1039/d4dt03148b","","","0.71073","MoKα","","0.0797","0.0627","","","0.1637","0.1725","","","","","","0.95","","","","has coordinates,has disorder","298897","2025-04-05","03:01:02",""
"7717600","10.6406","0.0006","11.0267","0.0008","11.4135","0.0007","106.286","0.006","94.576","0.005","104.445","0.006","1228.53","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 Al4 Br8 -","- C40 H48 Al4 Br8 -","- C40 H48 Al4 Br8 -","1","0.5","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2301","2307","10.1039/d4dt03148b","","","0.71073","MoKα","","0.0696","0.0456","","","0.0779","0.0857","","","","","","1.022","","","","has coordinates,has disorder","298897","2025-04-05","03:01:02",""
"7717601","13.1587","0.0008","14.9947","0.001","15.6441","0.0009","73.852","0.005","71.308","0.005","88.245","0.005","2802.8","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H54 Al2 -","- C42 H54 Al2 -","- C126 H162 Al6 -","3","1.5","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2301","2307","10.1039/d4dt03148b","","","0.71073","MoKα","","0.0706","0.0506","","","0.1289","0.1442","","","","","","1.034","","","","has coordinates,has disorder","298897","2025-04-05","03:01:02",""
"7717602","29.54","0.012","7.65","0.004","23.963","0.008","90","","116.36","0.04","90","","4852","4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H37 Al O -","- C25 H37 Al O -","- C200 H296 Al8 O8 -","8","1","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2301","2307","10.1039/d4dt03148b","","","0.71073","MoKα","","0.1682","0.0985","","","0.2257","0.2787","","","","","","0.976","","","","has coordinates","298897","2025-04-05","03:01:02",""
"7717603","9.462","0.0006","11.3383","0.0006","19.6914","0.0007","79.522","0.004","83.939","0.004","67.2","0.005","1913.57","0.19","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H59 Al -","- C44 H59 Al -","- C88 H118 Al2 -","2","1","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2301","2307","10.1039/d4dt03148b","","","0.71073","MoKα","","0.0774","0.0529","","","0.1318","0.1453","","","","","","1.033","","","","has coordinates,has disorder","298897","2025-04-05","03:01:02",""
"7717604","16.4386","0.0007","18.5881","0.0006","18.6041","0.0008","90","","113.92","0.005","90","","5196.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 Al N -","- C29 H35 Al N -","- C232 H280 Al8 N8 -","8","2","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2301","2307","10.1039/d4dt03148b","","","0.71073","MoKα","","0.0649","0.0481","","","0.1217","0.1346","","","","","","1.025","","","","has coordinates,has disorder","298897","2025-04-05","03:01:02",""
"7717605","19.2045","0.0015","15.4711","0.0011","9.503","0.0006","90","","90","","90","","2823.5","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H20 Al2 Br6 N4 -","- C20 H20 Al2 Br6 N4 -","- C80 H80 Al8 Br24 N16 -","4","1","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2301","2307","10.1039/d4dt03148b","","","0.71073","MoKα","","0.1008","0.0816","","","0.189","0.2021","","","","","","1.153","","","","has coordinates","298897","2025-04-05","03:01:02",""
"7717606","10.5399","0.0004","11.7073","0.0005","19.0482","0.0008","73.381","0.001","77.655","0.002","69.629","0.001","2094.24","0.15","193","2","192.9","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H58 Lu N2 P -","- C46 H58 Lu N2 P -","- C92 H116 Lu2 N4 P2 -","2","1","","Jiang, Wen; Zhang, Lixin","Phosphaguanidinate yttrium carbene, carbyne and carbide complexes: three distinct C1 functionalities.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2320","2330","10.1039/d4dt03060e","","","0.71073","MoKα","","0.043","0.0372","","","0.0803","0.0829","","","","","","1.2","","","","has coordinates","298902","2025-04-05","03:06:13",""
"7717607","10.781","0.0007","12.3125","0.0008","23.2922","0.0015","88.012","0.003","84.891","0.003","67.907","0.002","2853.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H84 Lu N4 O2 P -","- C63 H84 Lu N4 O2 P -","- C126 H168 Lu2 N8 O4 P2 -","2","1","","Jiang, Wen; Zhang, Lixin","Phosphaguanidinate yttrium carbene, carbyne and carbide complexes: three distinct C1 functionalities.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2320","2330","10.1039/d4dt03060e","","","1.34138","GaKα","","0.0466","0.0445","","","0.1166","0.1174","","","","","","1.219","","","","has coordinates","298902","2025-04-05","03:06:13",""
"7717608","15.5704","0.0006","18.4527","0.0006","16.5098","0.0006","90","","97.946","0.002","90","","4698","0.3","174","2","174","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H68 Lu N4 P -","- C55 H68 Lu N4 P -","- C220 H272 Lu4 N16 P4 -","4","1","","Jiang, Wen; Zhang, Lixin","Phosphaguanidinate yttrium carbene, carbyne and carbide complexes: three distinct C1 functionalities.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2320","2330","10.1039/d4dt03060e","","","1.34138","GaKα","","0.0712","0.0613","","","0.1596","0.1659","","","","","","1.053","","","","has coordinates","298902","2025-04-05","03:06:13",""
"7717609","16.115","0.0014","16.9001","0.0016","19.322","0.002","90","","112.186","0.004","90","","4872.7","0.8","202","2","202.31","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H68 Al2 N2 P Y -","- C45 H68 Al2 N2 P Y -","- C180 H272 Al8 N8 P4 Y4 -","4","1","","Jiang, Wen; Zhang, Lixin","Phosphaguanidinate yttrium carbene, carbyne and carbide complexes: three distinct C1 functionalities.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2320","2330","10.1039/d4dt03060e","","","0.71073","MoKα","","0.0776","0.0464","","","0.1078","0.1208","","","","","","1.038","","","","has coordinates","298902","2025-04-05","03:06:13",""
"7717610","15.5692","0.0014","18.5082","0.0016","16.5373","0.0015","90","","97.688","0.004","90","","4722.5","0.7","173","2","172.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H68 N4 P Y -","- C55 H68 N4 P Y -","- C220 H272 N16 P4 Y4 -","4","1","","Jiang, Wen; Zhang, Lixin","Phosphaguanidinate yttrium carbene, carbyne and carbide complexes: three distinct C1 functionalities.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2320","2330","10.1039/d4dt03060e","","","1.34138","GaKα","","0.0519","0.0439","","","0.1111","0.1178","","","","","","1.043","","","","has coordinates","298902","2025-04-05","03:06:13",""
"7717611","12.7487","0.0005","18.7568","0.0007","17.9516","0.0007","90","","92.482","0.001","90","","4288.6","0.3","193","2","192.83","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 Al Lu N2 P -","- C42 H59 Al Lu N2 P -","- C168 H236 Al4 Lu4 N8 P4 -","4","1","","Jiang, Wen; Zhang, Lixin","Phosphaguanidinate yttrium carbene, carbyne and carbide complexes: three distinct C1 functionalities.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2320","2330","10.1039/d4dt03060e","","","0.71073","MoKα","","0.0313","0.0218","","","0.0438","0.05","","","","","","1.1","","","","has coordinates","298902","2025-04-05","03:06:13",""
"7717612","12.962","0.008","19.845","0.012","22.439","0.014","90","","98.79","0.03","90","","5704","6","198","2","198","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H85 Lu N4 P -","- C64 H85 Lu N4 P -","- C256 H340 Lu4 N16 P4 -","4","1","","Jiang, Wen; Zhang, Lixin","Phosphaguanidinate yttrium carbene, carbyne and carbide complexes: three distinct C1 functionalities.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2320","2330","10.1039/d4dt03060e","","","0.71073","MoKα","","0.0566","0.032","","","0.0654","0.0778","","","","","","1.051","","","","has coordinates","298902","2025-04-05","03:06:13",""
"7717613","12.0176","0.0006","18.7006","0.0011","19.404","0.0011","66.611","0.002","78.717","0.002","79.637","0.002","3899.7","0.4","193","2","193.29","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H110 Al2 N4 P2 Y2 -","- C82 H110 Al2 N4 P2 Y2 -","- C164 H220 Al4 N8 P4 Y4 -","2","1","","Jiang, Wen; Zhang, Lixin","Phosphaguanidinate yttrium carbene, carbyne and carbide complexes: three distinct C1 functionalities.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2320","2330","10.1039/d4dt03060e","","","0.71073","MoKα","","0.0533","0.0363","","","0.0798","0.0867","","","","","","1.044","","","","has coordinates","298902","2025-04-05","03:06:14",""
"7717614","19.836","0.0019","12.2333","0.0012","34.501","0.003","90","","93.891","0.004","90","","8352.7","1.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H115 Al3 N4 P2 Y2 -","- C84 H115 Al3 N4 P2 Y2 -","- C336 H460 Al12 N16 P8 Y8 -","4","1","","Jiang, Wen; Zhang, Lixin","Phosphaguanidinate yttrium carbene, carbyne and carbide complexes: three distinct C1 functionalities.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2320","2330","10.1039/d4dt03060e","","","1.34139","GaKα","","0.0506","0.0418","","","0.0985","0.1053","","","","","","1.029","","","","has coordinates","298902","2025-04-05","03:06:14",""
"7717615","13.7051","0.0005","7.644","0.0002","10.7512","0.0004","90","","98.175","0.001","90","","1114.87","0.07","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Fe N O2 S -","- C11 H13 Fe N O2 S -","- C44 H52 Fe4 N4 O8 S4 -","4","1","","Varmužová, Věra; Císařová, Ivana; Schulz, Jiří; Kalíková, Květa; Štěpnička, Petr","Pd-catalysed C-H bond functionalisation route to 1,2-dihydroferroceno[<i>c</i>]isoquinoline and its annellated derivatives and the reactivity of these compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1495","1503","10.1039/d4dt03063j","","","0.71073","MoKα","","0.0195","0.019","","","0.0493","0.0498","","","","","","1.037","","","","has coordinates","298286","2025-03-04","20:24:35",""
"7717616","8.3913","0.0008","14.5589","0.0012","16.3593","0.0017","67.187","0.007","88.963","0.007","73.568","0.007","1757.5","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Fe N O2 S -","- C22 H19 Fe N O2 S -","- C88 H76 Fe4 N4 O8 S4 -","4","2","","Varmužová, Věra; Císařová, Ivana; Schulz, Jiří; Kalíková, Květa; Štěpnička, Petr","Pd-catalysed C-H bond functionalisation route to 1,2-dihydroferroceno[<i>c</i>]isoquinoline and its annellated derivatives and the reactivity of these compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1495","1503","10.1039/d4dt03063j","","","1.54178","CuKα","","0.1685","0.0741","","","0.155","0.1919","","","","","","0.975","","","","has coordinates","298286","2025-03-04","20:24:36",""
"7717617","11.9274","0.0002","15.8153","0.0003","11.2907","0.0002","90","","114.259","0.001","90","","1941.76","0.06","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br Fe N O2 S -","- C22 H20 Br Fe N O2 S -","- C88 H80 Br4 Fe4 N4 O8 S4 -","4","1","","Varmužová, Věra; Císařová, Ivana; Schulz, Jiří; Kalíková, Květa; Štěpnička, Petr","Pd-catalysed C-H bond functionalisation route to 1,2-dihydroferroceno[<i>c</i>]isoquinoline and its annellated derivatives and the reactivity of these compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1495","1503","10.1039/d4dt03063j","","","0.71073","MoKα","","0.0183","0.0173","","","0.0421","0.0426","","","","","","1.04","","","","has coordinates","298286","2025-03-04","20:24:36",""
"7717618","9.3915","0.0004","10.651","0.0005","18.0749","0.0009","105.218","0.002","97.607","0.002","94.929","0.002","1715.44","0.14","120","2","120","2","","","","","","","","10","P -1","-P 1","2","","","","- C30 H36 Cl4 F6 Fe N O2 P Ru S -","- C30 H36 Cl4 F6 Fe N O2 P Ru S -","- C60 H72 Cl8 F12 Fe2 N2 O4 P2 Ru2 S2 -","2","1","","Varmužová, Věra; Císařová, Ivana; Schulz, Jiří; Kalíková, Květa; Štěpnička, Petr","Pd-catalysed C-H bond functionalisation route to 1,2-dihydroferroceno[<i>c</i>]isoquinoline and its annellated derivatives and the reactivity of these compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1495","1503","10.1039/d4dt03063j","","","0.71073","MoKα","","0.0192","0.0183","","","0.0463","0.047","","","","","","1.041","","","","has coordinates","298286","2025-03-04","20:24:36",""
"7717619","12.6893","0.0005","16.3022","0.0006","11.2724","0.0005","90","","112.868","0.001","90","","2148.57","0.15","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Br Fe N O2 S -","- C26 H22 Br Fe N O2 S -","- C104 H88 Br4 Fe4 N4 O8 S4 -","4","1","","Varmužová, Věra; Císařová, Ivana; Schulz, Jiří; Kalíková, Květa; Štěpnička, Petr","Pd-catalysed C-H bond functionalisation route to 1,2-dihydroferroceno[<i>c</i>]isoquinoline and its annellated derivatives and the reactivity of these compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1495","1503","10.1039/d4dt03063j","","","0.71073","MoKα","","0.0326","0.0304","","","0.0914","0.0941","","","","","","1.043","","","","has coordinates","298286","2025-03-04","20:24:36",""
"7717620","10.8319","0.0003","9.5698","0.0003","20.1927","0.0006","90","","100.296","0.001","90","","2059.45","0.11","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Fe N O2 S -","- C26 H21 Fe N O2 S -","- C104 H84 Fe4 N4 O8 S4 -","4","1","","Varmužová, Věra; Císařová, Ivana; Schulz, Jiří; Kalíková, Květa; Štěpnička, Petr","Pd-catalysed C-H bond functionalisation route to 1,2-dihydroferroceno[<i>c</i>]isoquinoline and its annellated derivatives and the reactivity of these compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1495","1503","10.1039/d4dt03063j","","","0.71073","MoKα","","0.0249","0.0243","","","0.0625","0.0629","","","","","","1.053","","","","has coordinates","298286","2025-03-04","20:24:36",""
"7717621","15.7505","0.0003","12.2238","0.0002","17.1904","0.0003","90","","100.605","0.001","90","","3253.15","0.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Fe N O2.25 S -","- C19 H19 Fe N O2.25 S -","- C152 H152 Fe8 N8 O18 S8 -","8","2","","Varmužová, Věra; Císařová, Ivana; Schulz, Jiří; Kalíková, Květa; Štěpnička, Petr","Pd-catalysed C-H bond functionalisation route to 1,2-dihydroferroceno[<i>c</i>]isoquinoline and its annellated derivatives and the reactivity of these compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1495","1503","10.1039/d4dt03063j","","","0.71073","MoKα","","0.0276","0.0267","","","0.068","0.0687","","","","","","1.034","","","","has coordinates","298286","2025-03-04","20:24:36",""
"7717622","23.8457","0.001","11.9269","0.0005","12.1075","0.0005","90","","94.159","0.002","90","","3434.4","0.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br Fe N O2 S -","- C18 H18 Br Fe N O2 S -","- C144 H144 Br8 Fe8 N8 O16 S8 -","8","2","","Varmužová, Věra; Císařová, Ivana; Schulz, Jiří; Kalíková, Květa; Štěpnička, Petr","Pd-catalysed C-H bond functionalisation route to 1,2-dihydroferroceno[<i>c</i>]isoquinoline and its annellated derivatives and the reactivity of these compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1495","1503","10.1039/d4dt03063j","","","0.71073","MoKα","","0.0199","0.0183","","","0.0453","0.0462","","","","","","1.051","","","","has coordinates","298286","2025-03-04","20:24:36",""
"7717623","18.0702","0.0005","13.9237","0.0003","32.2579","0.0008","90","","91.586","0.001","90","","8113.1","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C183 H154 Ag4 Cl6 I4 N4 P8 -","- C183 H154 Ag4 Cl6 I4 N4 P8 -","- C366 H308 Ag8 Cl12 I8 N8 P16 -","2","0.5","","Li, Xiao; Wei, Shan-Yue; Zhang, Dong-Hai; Hu, Jia-Xuan; Hou, Chen-Lu; Lin, Ting-Ting; Chen, Xu-Lin; Lu, Can-Zhong","Silver(I)-iodine cluster with efficient thermally activated delayed fluorescence and suppressed concentration quenching.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1703","1709","10.1039/d4dt02855d","","x-ray","0.71073","MoKα","","0.0811","0.043","","","0.0889","0.1103","","","","","","1.038","","","","has coordinates,has disorder","298285","2025-03-04","20:24:00",""
"7717624","41.92","0.04","5.948","0.005","9.899","0.011","90","","94.88","0.04","90","","2459","4","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 N3 O -","- C16 H11 N3 O -","- C128 H88 N24 O8 -","8","1","","Angarkhe, Priyanka R.; Sahoo, Satyajit; Singhdeo, Simran; Shankar, Sr, Kripa; Upadhyay, Manav; Mahiya, Kuldeep; Tripathy, Jagnyaseni; Behera, Rakesh K.; Mohapatra, Swagat K.","Structural and optical studies of fluoride ion binding using N-heteroaromatic ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","2069","2077","10.1039/d4dt02857k","","","0.71073","MoKα","","0.1544","0.068","","","0.1376","0.1796","","","","","","1.086","","","","has coordinates","298272","2025-03-04","20:19:37",""
"7717625","8.0639","0.001","8.1559","0.0011","10.4359","0.0014","99.948","0.005","108.024","0.004","96.408","0.005","632.8","0.15","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 N2 O S -","- C16 H10 N2 O S -","- C32 H20 N4 O2 S2 -","2","1","","Angarkhe, Priyanka R.; Sahoo, Satyajit; Singhdeo, Simran; Shankar, Sr, Kripa; Upadhyay, Manav; Mahiya, Kuldeep; Tripathy, Jagnyaseni; Behera, Rakesh K.; Mohapatra, Swagat K.","Structural and optical studies of fluoride ion binding using N-heteroaromatic ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","2069","2077","10.1039/d4dt02857k","","","0.71073","MoKα","","0.1035","0.0496","","","0.1111","0.1437","","","","","","1.105","","","","has coordinates","298272","2025-03-04","20:19:38",""
"7717626","19.939","0.007","16.407","0.005","20.147","0.006","90","","90.563","0.012","90","","6591","4","299","","299.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H54 F N3 O6 -","- C29 H54 F N3 O6 -","- C232 H432 F8 N24 O48 -","8","2","","Angarkhe, Priyanka R.; Sahoo, Satyajit; Singhdeo, Simran; Shankar, Sr, Kripa; Upadhyay, Manav; Mahiya, Kuldeep; Tripathy, Jagnyaseni; Behera, Rakesh K.; Mohapatra, Swagat K.","Structural and optical studies of fluoride ion binding using N-heteroaromatic ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","2069","2077","10.1039/d4dt02857k","","","0.71073","MoKα","","0.2421","0.0776","","","0.1732","0.2229","","","","","","0.866","","","","has coordinates","298272","2025-03-04","20:19:38",""
"7717627","8.2214","0.0014","17.687","0.003","23.149","0.003","90","","97.908","0.005","90","","3334.1","0.9","299","2","299","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H49.55 F N4 O3 -","- C32 H49.551 F N4 O3 -","- C128 H198.204 F4 N16 O12 -","4","1","","Angarkhe, Priyanka R.; Sahoo, Satyajit; Singhdeo, Simran; Shankar, Sr, Kripa; Upadhyay, Manav; Mahiya, Kuldeep; Tripathy, Jagnyaseni; Behera, Rakesh K.; Mohapatra, Swagat K.","Structural and optical studies of fluoride ion binding using N-heteroaromatic ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","2069","2077","10.1039/d4dt02857k","","","0.71073","MoKα","","0.104","0.0594","","","0.1739","0.1977","","","","","","1.076","","","","has coordinates,has disorder","298272","2025-03-04","20:19:38",""
"7717628","3.8217","0.0009","5.7898","0.0011","24.196","0.005","94.416","0.007","91.1","0.009","93.667","0.008","532.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N2 O2.5 -","- C13 H11 N2 O2.5 -","- C26 H22 N4 O5 -","2","1","","Angarkhe, Priyanka R.; Sahoo, Satyajit; Singhdeo, Simran; Shankar, Sr, Kripa; Upadhyay, Manav; Mahiya, Kuldeep; Tripathy, Jagnyaseni; Behera, Rakesh K.; Mohapatra, Swagat K.","Structural and optical studies of fluoride ion binding using N-heteroaromatic ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","2069","2077","10.1039/d4dt02857k","","","0.71073","MoKα","","0.166","0.0695","","","0.145","0.2003","","","","","","1.084","","","","has coordinates","298272","2025-03-04","20:19:38",""
"7717629","8.2612","0.0012","9.5452","0.0014","9.9777","0.0012","94.986","0.004","93.564","0.004","98.378","0.005","773.21","0.19","299","2","299","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H46 F N3 O S -","- C32 H46 F N3 O S -","- C32 H46 F N3 O S -","1","1","","Angarkhe, Priyanka R.; Sahoo, Satyajit; Singhdeo, Simran; Shankar, Sr, Kripa; Upadhyay, Manav; Mahiya, Kuldeep; Tripathy, Jagnyaseni; Behera, Rakesh K.; Mohapatra, Swagat K.","Structural and optical studies of fluoride ion binding using N-heteroaromatic ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","2069","2077","10.1039/d4dt02857k","","","0.71073","MoKα","","0.1017","0.0574","","","0.1087","0.1245","","","","","","1.051","","","","has coordinates,has disorder","298272","2025-03-04","20:19:38",""
"7717630","11.4638","0.001","12.56","0.0011","16.3969","0.0014","77.05","0.003","78.707","0.003","78.617","0.003","2227","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H39 Cu3 N8 O14 S6 -","- C30 H38 Cu3 N8 O14 S6 -","- C60 H76 Cu6 N16 O28 S12 -","2","1","","Guo, Ting-Ting; Hua, Bing-Long; Guo, Zhuo-Yi; Zhang, Meng-Qi; Wang, Jin-Rong; An, Yan-Yan; Li, Xiao-Nan; Yan, Juan-Zhi","A copper(II)-based metal-organic framework: electrochemical sensing of Cd(II) and Pb(II) and adsorption of organic dyes.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1393","1401","10.1039/d4dt02374a","","","0.71073","MoKα","","0.1385","0.0713","","","0.1812","0.2191","","","","","","1.024","","","","has coordinates","298281","2025-03-04","20:22:23",""
"7717631","6.9067","0.0001","11.6814","0.0002","18.0095","0.0003","90","","100.739","0.001","90","","1427.56","0.04","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ni(II)-ethylenebisbiguanide","","- C6 H18 Cl2 N10 Ni O -","- C6 H18 Cl2 N10 Ni O -","- C24 H72 Cl8 N40 Ni4 O4 -","4","1","","Khatri, Jaipriya; Mari, Vasanthapandiyan; Sarkar, Aniruddha; Karmodak, Naiwrit; Dhar, Basab Bijayi","C-H bond chlorination and bromination using water soluble nickel(II) guanidine complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","503","510","10.1039/d4dt02783c","","","0.71073","MoKα","","0.0348","0.0301","","","0.0712","0.0737","","","","","","1.099","","","","has coordinates","298885","2025-04-05","02:56:39",""
"7717635","14.7876","0.0009","16.0688","0.0009","18.3696","0.0012","90","","90.131","0.003","90","","4365","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H20 N6 O8 S Zn2 -","- C32 H20 N6 O8 S Zn2 -","- C128 H80 N24 O32 S4 Zn8 -","4","0.5","","Chuang, Po-Min; Li, Pei-Rong; Wu, Jing-Yun","Structural transformation from a 3D hydrophilic pillared-layered framework to 2D hydrophobic MOF nanosheets through ligand replacement exfoliation.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1884","1895","10.1039/d3dt04379g","","","1.54178","CuKα","","0.0883","0.0803","","","0.2571","0.2676","","","","","","1.11","","","","has coordinates,has disorder","298277","2025-03-04","20:20:49",""
"7717636","8.746","0.002","13.317","0.003","13.892","0.004","96.811","0.009","98.431","0.008","99.51","0.008","1561.5","0.7","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C33 H24 Cl F6 N5 O1.5 P Ru -","- C33 H23 Cl F6 N5 O P Ru -","- C66 H46 Cl2 F12 N10 O2 P2 Ru2 -","2","1","","de Alencar, Francisca Mayara Santos; Gouveia, Jr, Florencio Sousa; Oliveira, Geângela de Fátima Sousa de; Andrade, Alexandre Lopes; Vasconcelos, Mayron Alves de; Ayala, Alejandro Pedro; Gondim, Ana Claudia Silva; Carvalho, Idalina Maria Moreira de; Moraes, Carlos André Ferreira; Palmeira-Mello, Marcos V; Batista, Alzir Azevedo; Lopes, Luiz Gonzaga de França; Sousa, Eduardo Henrique Silva","Terpyridine-based ruthenium complexes containing a 4,5-diazafluoren-9-one ligand with light-driven enhancement of biological activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1850","1870","10.1039/d4dt02562h","","x-ray","0.71073","MoKα","","0.182","0.1165","","","0.2466","0.2959","","","","","","1.074","","","","has coordinates,has disorder","298275","2025-03-04","20:20:24",""
"7717637","8.7628","0.0007","27.6833","0.0018","14.6097","0.0012","90","","95.034","0.003","90","","3530.4","0.5","300","","300","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H30 Cl F6 N5 O2.5 P Ru -","- C36.5 H30 Cl F6 N5 O2.5 P Ru -","- C146 H120 Cl4 F24 N20 O10 P4 Ru4 -","4","1","","de Alencar, Francisca Mayara Santos; Gouveia, Jr, Florencio Sousa; Oliveira, Geângela de Fátima Sousa de; Andrade, Alexandre Lopes; Vasconcelos, Mayron Alves de; Ayala, Alejandro Pedro; Gondim, Ana Claudia Silva; Carvalho, Idalina Maria Moreira de; Moraes, Carlos André Ferreira; Palmeira-Mello, Marcos V; Batista, Alzir Azevedo; Lopes, Luiz Gonzaga de França; Sousa, Eduardo Henrique Silva","Terpyridine-based ruthenium complexes containing a 4,5-diazafluoren-9-one ligand with light-driven enhancement of biological activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1850","1870","10.1039/d4dt02562h","","x-ray","0.71073","MoKα","","0.0785","0.0482","","","0.0979","0.1158","","","","","","1.095","","","","has coordinates,has disorder","298275","2025-03-04","20:20:25",""
"7717638","8.7098","0.0002","8.8878","0.0002","19.9949","0.0005","90","","98.082","0.002","90","","1532.45","0.06","104.1","0.5","104.1","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H24 Cl2 Cu N6 O9 -","- C30 H24 Cl2 Cu N6 O9 -","- C60 H48 Cl4 Cu2 N12 O18 -","2","1","","Biswas, Jyotiprokash; Sanden, Sebastian; Bhardwaj, Prabhakar; Siegmund, Daniel; Kumar, Pankaj; Apfel, Ulf-Peter","A terpyridine-based copper complex for electrochemical reduction of nitrite to nitric oxide.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1815","1826","10.1039/d4dt02777a","","x-ray","1.54184","CuKα","","0.047","0.0421","","","0.1023","0.105","","","","","","1.038","","","","has coordinates,has disorder","298267","2025-03-04","20:18:13",""
"7717639","7.7304","0.0004","10.1821","0.0005","12.9851","0.0007","79.875","0.004","78.508","0.004","73.768","0.004","953.8","0.09","104.2","0.7","104.2","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Cl Cu N5 O6 -","- C17 H14 Cl Cu N5 O6 -","- C34 H28 Cl2 Cu2 N10 O12 -","2","1","","Biswas, Jyotiprokash; Sanden, Sebastian; Bhardwaj, Prabhakar; Siegmund, Daniel; Kumar, Pankaj; Apfel, Ulf-Peter","A terpyridine-based copper complex for electrochemical reduction of nitrite to nitric oxide.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1815","1826","10.1039/d4dt02777a","","x-ray","1.54184","CuKα","","0.034","0.0317","","","0.0858","0.0874","","","","","","1.052","","","","has coordinates","298267","2025-03-04","20:18:15",""
"7717640","8.6165","0.0004","8.6728","0.0004","27.0547","0.0008","98.785","0.003","97.177","0.003","97.049","0.003","1961.56","0.14","105.4","0.9","105.4","0.9","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Cl2 Cu N4 O8 -","- C17 H14 Cl2 Cu N4 O8 -","- C68 H56 Cl8 Cu4 N16 O32 -","4","2","","Biswas, Jyotiprokash; Sanden, Sebastian; Bhardwaj, Prabhakar; Siegmund, Daniel; Kumar, Pankaj; Apfel, Ulf-Peter","A terpyridine-based copper complex for electrochemical reduction of nitrite to nitric oxide.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1815","1826","10.1039/d4dt02777a","","x-ray","1.54184","CuKα","","0.0553","0.0539","","","0.152","0.1543","","","","","","1.077","","","","has coordinates","298267","2025-03-04","20:18:25",""
"7717641","13.3459","0.0007","9.4549","0.0004","11.8624","0.0006","90","","99.053","0.005","90","","1478.2","0.13","100.01","0.12","100.01","0.12","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C15 H11 Cu N5 O4 -","- C15 H11 Cu N5 O4 -","- C60 H44 Cu4 N20 O16 -","4","0.5","","Biswas, Jyotiprokash; Sanden, Sebastian; Bhardwaj, Prabhakar; Siegmund, Daniel; Kumar, Pankaj; Apfel, Ulf-Peter","A terpyridine-based copper complex for electrochemical reduction of nitrite to nitric oxide.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1815","1826","10.1039/d4dt02777a","","x-ray","1.54184","CuKα","","0.0518","0.0492","","","0.1297","0.132","","","","","","1.061","","","","has coordinates,has disorder","298267","2025-03-04","20:18:25",""
"7717642","10.1663","0.0002","26.6284","0.0004","7.2548","0.0001","90","","101.129","0.002","90","","1927.03","0.06","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cu F6 N3 O3 P -","- C17 H16 Cu F6 N3 O3 P -","- C68 H64 Cu4 F24 N12 O12 P4 -","4","1","","Biswas, Jyotiprokash; Sanden, Sebastian; Bhardwaj, Prabhakar; Siegmund, Daniel; Kumar, Pankaj; Apfel, Ulf-Peter","A terpyridine-based copper complex for electrochemical reduction of nitrite to nitric oxide.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1815","1826","10.1039/d4dt02777a","","x-ray","1.54184","CuKα","","0.0499","0.0433","","","0.1154","0.1196","","","","","","1.07","","","","has coordinates","298267","2025-03-04","20:18:25",""
"7717643","20.2561","0.0001","37.4829","0.0003","17.4462","0.0001","90","","96.084","0.001","90","","13171.5","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Cu2 N10 O4 -","- C34 H28 Cu2 N10 O4 -","- C544 H448 Cu32 N160 O64 -","16","4","","Biswas, Jyotiprokash; Sanden, Sebastian; Bhardwaj, Prabhakar; Siegmund, Daniel; Kumar, Pankaj; Apfel, Ulf-Peter","A terpyridine-based copper complex for electrochemical reduction of nitrite to nitric oxide.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1815","1826","10.1039/d4dt02777a","","x-ray","1.54184","CuKα","","0.059","0.0399","","","0.1027","0.1132","","","","","","1.013","","","","has coordinates,has disorder","298267","2025-03-04","20:18:25",""
"7717644","15.947","0.011","17.836","0.016","15.552","0.01","90","","113.15","0.02","90","","4067","5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H37 F6 N2 Ni P3 S2 -","- C40 H37 F6 N2 Ni P3 S2 -","- C160 H148 F24 N8 Ni4 P12 S8 -","4","1","","Pal, Sarvesh Kumar; Ansari, Toufik; Yadav, Chote Lal; Singh, Nanhai; Lama, Prem; Indra, Arindam; Kumar, Kamlesh","Ni(II)-Dithiocarbamate and -diphosphine coordination complexes as pre-catalysts for electrochemical OER activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1597","1609","10.1039/d4dt02447h","","","0.71073","MoKα","","0.1249","0.0838","","","0.2061","0.2326","","","","","","1.041","","","","has coordinates","298282","2025-03-04","20:22:44",""
"7717645","11.0237","0.0011","14.7281","0.0015","14.8606","0.0016","69.673","0.003","87.511","0.003","89.058","0.003","2260.4","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H42 F6 Fe N Ni P3 S2 -","- C49 H42 F6 Fe N Ni P3 S2 -","- C98 H84 F12 Fe2 N2 Ni2 P6 S4 -","2","1","","Pal, Sarvesh Kumar; Ansari, Toufik; Yadav, Chote Lal; Singh, Nanhai; Lama, Prem; Indra, Arindam; Kumar, Kamlesh","Ni(II)-Dithiocarbamate and -diphosphine coordination complexes as pre-catalysts for electrochemical OER activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1597","1609","10.1039/d4dt02447h","","","0.71073","MoKα","","0.0465","0.0361","","","0.0808","0.0865","","","","","","1.036","","","","has coordinates","298282","2025-03-04","20:22:45",""
"7717646","16.1692","0.0009","18.0945","0.0008","15.4262","0.0007","90","","113.54","0.006","90","","4137.7","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 F6 N Ni P3 S2 -","- C41 H38 F6 N Ni P3 S2 -","- C164 H152 F24 N4 Ni4 P12 S8 -","4","1","","Pal, Sarvesh Kumar; Ansari, Toufik; Yadav, Chote Lal; Singh, Nanhai; Lama, Prem; Indra, Arindam; Kumar, Kamlesh","Ni(II)-Dithiocarbamate and -diphosphine coordination complexes as pre-catalysts for electrochemical OER activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1597","1609","10.1039/d4dt02447h","","","0.71073","MoKα","","0.1181","0.0764","","","0.2267","0.2898","","","","","","0.999","","","","has coordinates,has disorder","298282","2025-03-04","20:22:45",""
"7717647","13.8633","0.0004","14.168","0.0004","14.6572","0.0004","81.301","0.001","61.952","0.001","63.989","0.001","2277.94","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H41 F6 Fe N2 Ni P3 S2 -","- C48 H41 F6 Fe N2 Ni P3 S2 -","- C96 H82 F12 Fe2 N4 Ni2 P6 S4 -","2","1","","Pal, Sarvesh Kumar; Ansari, Toufik; Yadav, Chote Lal; Singh, Nanhai; Lama, Prem; Indra, Arindam; Kumar, Kamlesh","Ni(II)-Dithiocarbamate and -diphosphine coordination complexes as pre-catalysts for electrochemical OER activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1597","1609","10.1039/d4dt02447h","","","0.71073","MoKα","","0.0528","0.0466","","","0.1188","0.1241","","","","","","1.03","","","","has coordinates,has disorder","298282","2025-03-04","20:22:45",""
"7717648","21.6055","0.0009","10.8282","0.0005","12.7008","0.0005","90","","90","","90","","2971.3","0.2","193","2","193","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C20 H20 Ag2 F12 N4 Sb2 -","- C20 H20 Ag2 F12 N4 Sb2 -","- C80 H80 Ag8 F48 N16 Sb8 -","4","0.25","","Landrini, Martina; Navarro, Miquel; Campos, Jesús; Rocchigiani, Luca","Enhanced reactivity of cationic Au(μ-H)<sub>2</sub>MCp<sub>2</sub> complexes (M = Mo and W) enabled by bulky tris-biaryl phosphines.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","898","902","10.1039/d4dt03150d","","","0.71073","MoKα","","0.0572","0.0469","","","0.1362","0.146","","","","","","1.172","","","","has coordinates","298939","2025-04-05","03:21:45",""
"7717649","12.8117","0.0007","15.9264","0.001","17.4931","0.0011","99.843","0.003","102.329","0.002","104.45","0.002","3280.5","0.3","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H87 Au B Cl2 F4 P W -","- C71 H87 Au B Cl2 F4 P W -","- C142 H174 Au2 B2 Cl4 F8 P2 W2 -","2","1","","Landrini, Martina; Navarro, Miquel; Campos, Jesús; Rocchigiani, Luca","Enhanced reactivity of cationic Au(μ-H)<sub>2</sub>MCp<sub>2</sub> complexes (M = Mo and W) enabled by bulky tris-biaryl phosphines.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","898","902","10.1039/d4dt03150d","","","0.71073","MoKα","","0.0694","0.0437","","","0.1032","0.1251","","","","","","0.984","","","","has coordinates","298939","2025-04-05","03:21:45",""
"7717650","13.2555","0.0005","16.6165","0.0007","18.5766","0.0007","74.456","0.001","85.128","0.002","84.042","0.002","3913.8","0.3","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C71 H87 Ag Au B2 Cl2 F8 P W -","- C71 H87 Ag Au B2 Cl2 F8 P W -","- C142 H174 Ag2 Au2 B4 Cl4 F16 P2 W2 -","2","1","","Landrini, Martina; Navarro, Miquel; Campos, Jesús; Rocchigiani, Luca","Enhanced reactivity of cationic Au(μ-H)<sub>2</sub>MCp<sub>2</sub> complexes (M = Mo and W) enabled by bulky tris-biaryl phosphines.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","898","902","10.1039/d4dt03150d","","","0.71073","MoKα","","0.0812","0.0602","","","0.124","0.1484","","","","","","1.114","","","","has coordinates","298939","2025-04-05","03:21:45",""
"7717651","12.8085","0.0007","15.9405","0.0007","17.4937","0.001","99.952","0.002","102.155","0.002","104.488","0.002","3283.3","0.3","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H87 Au B Cl2 F4 Mo P -","- C71 H87 Au B Cl2 F4 Mo P -","- C142 H174 Au2 B2 Cl4 F8 Mo2 P2 -","2","1","","Landrini, Martina; Navarro, Miquel; Campos, Jesús; Rocchigiani, Luca","Enhanced reactivity of cationic Au(μ-H)<sub>2</sub>MCp<sub>2</sub> complexes (M = Mo and W) enabled by bulky tris-biaryl phosphines.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","898","902","10.1039/d4dt03150d","","","0.71073","MoKα","","0.0564","0.0428","","","0.1037","0.1158","","","","","","1.115","","","","has coordinates","298939","2025-04-05","03:21:45",""
"7717652","12.3268","0.0005","15.5079","0.0006","19.9114","0.0008","104.508","0.002","107.31","0.002","93.854","0.002","3476.4","0.2","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H82 Au Cl6 F6 N P Sb -","- C67 H82 Au Cl6 F6 N P Sb -","- C134 H164 Au2 Cl12 F12 N2 P2 Sb2 -","2","1","","Landrini, Martina; Navarro, Miquel; Campos, Jesús; Rocchigiani, Luca","Enhanced reactivity of cationic Au(μ-H)<sub>2</sub>MCp<sub>2</sub> complexes (M = Mo and W) enabled by bulky tris-biaryl phosphines.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","898","902","10.1039/d4dt03150d","","","0.71073","MoKα","","0.0505","0.0409","","","0.1104","0.1197","","","","","","1.1","","","","has coordinates","298939","2025-04-05","03:21:45",""
"7717653","12.594","0.003","19.643","0.004","23.887","0.006","90.031","0.012","95.653","0.012","90.044","0.008","5881","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H4 Al4 F118 O22 Ru2 -","- C70 H4 Al4 F118 O22 Ru2 -","- C140 H8 Al8 F236 O44 Ru4 -","2","1","","Sellin, Malte; Grunenberg, Jörg; Krossing, Ingo","Isolation and characterization of the dimetal decacarbonyl dication [Ru<sub>2</sub>(CO)<sub>10</sub>]<sup>2+</sup> and the metal-only Lewis-pair [Ag{Ru(CO)<sub>5</sub>}<sub>2</sub>]<sup>+</sup> .","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2294","2300","10.1039/d4dt03364g","","x-ray","0.71073","MoKα","","0.0577","0.0438","","","0.1011","0.1101","","","","","","1.039","","","","has coordinates,has disorder","298893","2025-04-05","02:59:52",""
"7717654","11.005","0.004","24.541","0.007","24.767","0.01","64.588","0.017","84.267","0.013","85.248","0.013","6006","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 Ag Al2 F55 O16 Ru2 -","- C34 Ag Al2 F55 O16 Ru2 -","- C136 Ag4 Al8 F220 O64 Ru8 -","4","2","","Sellin, Malte; Grunenberg, Jörg; Krossing, Ingo","Isolation and characterization of the dimetal decacarbonyl dication [Ru<sub>2</sub>(CO)<sub>10</sub>]<sup>2+</sup> and the metal-only Lewis-pair [Ag{Ru(CO)<sub>5</sub>}<sub>2</sub>]<sup>+</sup> .","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2294","2300","10.1039/d4dt03364g","","x-ray","0.71073","MoKα","","0.1033","0.0836","","","0.2396","0.2588","","","","","","1.139","","","","has coordinates,has disorder","298893","2025-04-05","02:59:53",""
"7717655","17.3117","0.0003","17.3117","0.0003","31.2201","0.0007","90","","90","","90","","9356.5","0.3","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C18 H28 Cl2 Cu N5 O8.5 -","- C18 H27 Cl2 Cu N5 O8.5 -","- C288 H432 Cl32 Cu16 N80 O136 -","16","1","","Romano, Giammarco Maria; Simonini Steiner, Yschtar Tecla; Bartoli, Francesco; Conti, Luca; Macedi, Eleonora; Bazzicalupi, Carla; Rossi, Patrizia; Paoli, Paola; Innocenti, Massimo; Bencini, Andrea; Savastano, Matteo","Selective binding and fluorescence sensing of Zn(II)/Cd(II) using macrocyclic tetra-amines with different fluorophores: insights into the design of selective chemosensors for transition metals.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1689","1702","10.1039/d4dt02415j","","","1.5418","CuKα","","0.0944","0.0579","","","0.1477","0.1766","","","","","","1.04","","","","has coordinates","298874","2025-04-05","02:47:38",""
"7717656","12.3537","0.0003","16.8712","0.0004","19.1547","0.0004","83.534","0.002","83.991","0.002","81.834","0.002","3910.64","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H98 Ca Cl2 N12 O30 Zn2 -","- C64 H96 Ca Cl2 N12 O30.003 Zn2 -","- C128 H192 Ca2 Cl4 N24 O60.006 Zn4 -","2","1","","Romano, Giammarco Maria; Simonini Steiner, Yschtar Tecla; Bartoli, Francesco; Conti, Luca; Macedi, Eleonora; Bazzicalupi, Carla; Rossi, Patrizia; Paoli, Paola; Innocenti, Massimo; Bencini, Andrea; Savastano, Matteo","Selective binding and fluorescence sensing of Zn(II)/Cd(II) using macrocyclic tetra-amines with different fluorophores: insights into the design of selective chemosensors for transition metals.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1689","1702","10.1039/d4dt02415j","","","0.71073","MoKα","","0.0909","0.0565","","","0.1275","0.146","","","","","","1.025","","","","has coordinates,has disorder","298874","2025-04-05","02:47:39",""
"7717657","10.481","0.0007","16.939","0.001","17.697","0.001","90","","94.523","0.006","90","","3132.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Cl2 N6 O11 Zn -","- C28 H36 Cl2 N6 O11.03 Zn -","- C112 H144 Cl8 N24 O44.12 Zn4 -","4","1","","Romano, Giammarco Maria; Simonini Steiner, Yschtar Tecla; Bartoli, Francesco; Conti, Luca; Macedi, Eleonora; Bazzicalupi, Carla; Rossi, Patrizia; Paoli, Paola; Innocenti, Massimo; Bencini, Andrea; Savastano, Matteo","Selective binding and fluorescence sensing of Zn(II)/Cd(II) using macrocyclic tetra-amines with different fluorophores: insights into the design of selective chemosensors for transition metals.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1689","1702","10.1039/d4dt02415j","","","0.71073","MoKα","","0.152","0.0995","","","0.2377","0.2647","","","","","","1.109","","","","has coordinates,has disorder","298874","2025-04-05","02:47:39",""
"7717658","12.1623","0.0004","16.0748","0.0005","15.0537","0.0005","90","","100.065","0.003","90","","2897.8","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 Cl N6 O7 Pb -","- C28 H33 Cl N6 O7 Pb -","- C112 H132 Cl4 N24 O28 Pb4 -","4","1","","Romano, Giammarco Maria; Simonini Steiner, Yschtar Tecla; Bartoli, Francesco; Conti, Luca; Macedi, Eleonora; Bazzicalupi, Carla; Rossi, Patrizia; Paoli, Paola; Innocenti, Massimo; Bencini, Andrea; Savastano, Matteo","Selective binding and fluorescence sensing of Zn(II)/Cd(II) using macrocyclic tetra-amines with different fluorophores: insights into the design of selective chemosensors for transition metals.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1689","1702","10.1039/d4dt02415j","","","0.71073","MoKα","","0.0516","0.0355","","","0.0671","0.0744","","","","","","1.032","","","","has coordinates,has disorder","298874","2025-04-05","02:47:39",""
"7717659","11.017","0.0004","14.7346","0.0005","19.6206","0.0008","90","","90","","90","","3185","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Cd Cl2 N6 O11 -","- C28 H36 Cd Cl2 N6 O11 -","- C112 H144 Cd4 Cl8 N24 O44 -","4","1","","Romano, Giammarco Maria; Simonini Steiner, Yschtar Tecla; Bartoli, Francesco; Conti, Luca; Macedi, Eleonora; Bazzicalupi, Carla; Rossi, Patrizia; Paoli, Paola; Innocenti, Massimo; Bencini, Andrea; Savastano, Matteo","Selective binding and fluorescence sensing of Zn(II)/Cd(II) using macrocyclic tetra-amines with different fluorophores: insights into the design of selective chemosensors for transition metals.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1689","1702","10.1039/d4dt02415j","","","0.71073","MoKα","","0.0845","0.0489","","","0.0845","0.1035","","","","","","1.008","","","","has coordinates","298874","2025-04-05","02:47:39",""
"7717660","10.5259","0.0004","17.3495","0.0006","16.8877","0.0006","90","","96.977","0.003","90","","3061.18","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 Cl2 N6 O8.5 Zn -","- C28 H34 Cl2 N6 O8.504 Zn -","- C112 H136 Cl8 N24 O34.016 Zn4 -","4","1","","Romano, Giammarco Maria; Simonini Steiner, Yschtar Tecla; Bartoli, Francesco; Conti, Luca; Macedi, Eleonora; Bazzicalupi, Carla; Rossi, Patrizia; Paoli, Paola; Innocenti, Massimo; Bencini, Andrea; Savastano, Matteo","Selective binding and fluorescence sensing of Zn(II)/Cd(II) using macrocyclic tetra-amines with different fluorophores: insights into the design of selective chemosensors for transition metals.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1689","1702","10.1039/d4dt02415j","","","0.71073","MoKα","","0.0842","0.059","","","0.1326","0.1448","","","","","","1.07","","","","has coordinates,has disorder","298874","2025-04-05","02:47:39",""
"7717661","8.4798","0.0002","16.0482","0.0004","23.2856","0.0006","90","","90.338","0.002","90","","3168.78","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Cd Cl2 N6 O9 -","- C28 H36 Cd Cl2 N6 O9.004 -","- C112 H144 Cd4 Cl8 N24 O36.016 -","4","1","","Romano, Giammarco Maria; Simonini Steiner, Yschtar Tecla; Bartoli, Francesco; Conti, Luca; Macedi, Eleonora; Bazzicalupi, Carla; Rossi, Patrizia; Paoli, Paola; Innocenti, Massimo; Bencini, Andrea; Savastano, Matteo","Selective binding and fluorescence sensing of Zn(II)/Cd(II) using macrocyclic tetra-amines with different fluorophores: insights into the design of selective chemosensors for transition metals.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1689","1702","10.1039/d4dt02415j","","","0.71073","MoKα","","0.0405","0.0303","","","0.0662","0.0695","","","","","","1.067","","","","has coordinates,has disorder","298874","2025-04-05","02:47:39",""
"7717662","8.668","0.0008","9.9938","0.0005","17.0474","0.0015","94.187","0.003","100.584","0.004","102.745","0.003","1405.9","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H45 O3 Si2 W -","- C26 H45 O3 Si2 W -","- C52 H90 O6 Si4 W2 -","2","1","","Hashimoto, Hisako; Matsuo, Satomi; Odagiri, Yuto; Tobita, Hiromi","A hydrogen-bridged bis(silylene) complex as a platform for small molecule activation <i>via</i> adjacent metal-ligand cooperation.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","915","919","10.1039/d4dt03226h","","","0.71073","MoKα","","0.0942","0.0713","","","0.148","0.1551","","","","","","1.212","","","","has coordinates","298938","2025-04-05","03:21:09",""
"7717663","13.6063","0.0003","16.0363","0.0004","14.7843","0.0003","90","","104.088","0.0006","90","","3128.83","0.12","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 O3 Si2 W -","- C30 H46 O3 Si2 W -","- C120 H184 O12 Si8 W4 -","4","1","","Hashimoto, Hisako; Matsuo, Satomi; Odagiri, Yuto; Tobita, Hiromi","A hydrogen-bridged bis(silylene) complex as a platform for small molecule activation <i>via</i> adjacent metal-ligand cooperation.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","915","919","10.1039/d4dt03226h","","","0.71073","MoKα","","0.0453","0.0376","","","0.0797","0.0825","","","","","","1.151","","","","has coordinates,has disorder","298938","2025-04-05","03:21:09",""
"7717664","26.4496","0.0013","15.6024","0.0011","15.888","0.0009","90","","125.361","0.0012","90","","5347","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H42 O3 Si2 W -","- C24 H42 O3 Si2 W -","- C192 H336 O24 Si16 W8 -","8","1","","Hashimoto, Hisako; Matsuo, Satomi; Odagiri, Yuto; Tobita, Hiromi","A hydrogen-bridged bis(silylene) complex as a platform for small molecule activation <i>via</i> adjacent metal-ligand cooperation.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","915","919","10.1039/d4dt03226h","","","0.71073","MoKα","","0.0293","0.0263","","","0.0643","0.066","","","","","","1.118","","","","has coordinates","298938","2025-04-05","03:21:09",""
"7717665","17.1114","0.0006","10.5152","0.0005","16.394","0.0005","90","","90","","90","","2949.8","0.2","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H48 O3 Si2 W -","- C29 H48 O3 Si2 W -","- C116 H192 O12 Si8 W4 -","4","1","","Hashimoto, Hisako; Matsuo, Satomi; Odagiri, Yuto; Tobita, Hiromi","A hydrogen-bridged bis(silylene) complex as a platform for small molecule activation <i>via</i> adjacent metal-ligand cooperation.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","915","919","10.1039/d4dt03226h","","","0.71073","MoKα","","0.0445","0.0368","","","0.065","0.0666","","","","","","1.173","","","","has coordinates","298938","2025-04-05","03:21:10",""
"7717666","14.241","0.0002","33.3455","0.0006","14.4026","0.0004","90","","90","","90","","6839.4","0.2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C33 H52 N2 O2 Si2 W -","- C33 H52.5 N2 O2 Si2 W -","- C264 H420 N16 O16 Si16 W8 -","8","1","","Hashimoto, Hisako; Matsuo, Satomi; Odagiri, Yuto; Tobita, Hiromi","A hydrogen-bridged bis(silylene) complex as a platform for small molecule activation <i>via</i> adjacent metal-ligand cooperation.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","915","919","10.1039/d4dt03226h","","x-ray","0.71069","MoKα","","0.0667","0.0595","","","0.1119","0.1141","","","","","","1.375","","","","has coordinates","298938","2025-04-05","03:21:10",""
"7717667","9.5558","0.0005","21.0574","0.0012","21.9139","0.0014","90","","99.961","0.003","90","","4343.1","0.4","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","ESIMes","1,3-dimesityl-5-(2-(triphenylphosphonio)ethyl)imidazolinium dihexafluorophosphate","","- C82 H93 F24 N4 O1.5 P6 -","- C82 H93 F24 N4 O1.5 P6 -","- C164 H186 F48 N8 O3 P12 -","2","1","","Killeen, Charles; Oliver, Allen G.; McIndoe, J. Scott","An electrospray-active N-heterocyclic carbene ligand for real-time analysis of organometallic reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1365","1369","10.1039/d4dt03243h","","","1.54178","CuKα","","0.0918","0.074","","","0.2048","0.228","","","","","","1.032","","","","has coordinates,has disorder","298875","2025-04-05","02:47:52",""
"7717668","9.027","0.0013","7.7023","0.0013","12.0291","0.0018","90","","110.149","0.004","90","","785.2","0.2","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 Cs H2 O9 -","- B5 Cs H2 O9 -","- B20 Cs4 H8 O36 -","4","1","","Ma, Xiaoqin; Zhao, Xinjun; Zhang, Qianzhen; Long, Xifa; Yang, Yun","Structural modification of hydroxyborates by adjusting the number of shared oxygen atoms and hydroxyl groups for further performance enhancement.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","2122","2131","10.1039/d4dt03136a","","","0.71073","MoKα","","0.0688","0.049","","","0.0965","0.1076","","","","","","1.075","","","","has coordinates","298271","2025-03-04","20:19:13",""
"7717669","8.5523","0.0008","7.3326","0.0007","12.9739","0.001","90","","90","","90","","813.6","0.13","243","","243","","","","","","","","","4","P c a 21","P 2c -2ac","29","","K2B5O8(OH)","","- B5 H K2 O9 -","- B5 H K2 O9 -","- B20 H4 K8 O36 -","4","1","","Ma, Xiaoqin; Zhao, Xinjun; Zhang, Qianzhen; Long, Xifa; Yang, Yun","Structural modification of hydroxyborates by adjusting the number of shared oxygen atoms and hydroxyl groups for further performance enhancement.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","2122","2131","10.1039/d4dt03136a","","","0.71073","MoKα","","0.0389","0.0334","","","0.0693","0.0735","","","","","","1.055","","","","has coordinates","298271","2025-03-04","20:19:14",""
"7717670","10.1898","0.0019","7.6098","0.0017","12.93","0.003","90","","110.895","0.006","90","","936.7","0.4","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 Cs H4 O10 -","- B5 Cs H4 O10 -","- B20 Cs4 H16 O40 -","4","1","","Ma, Xiaoqin; Zhao, Xinjun; Zhang, Qianzhen; Long, Xifa; Yang, Yun","Structural modification of hydroxyborates by adjusting the number of shared oxygen atoms and hydroxyl groups for further performance enhancement.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","2122","2131","10.1039/d4dt03136a","","","0.71073","MoKα","","0.0835","0.046","","","0.0847","0.1013","","","","","","1.05","","","","has coordinates","298271","2025-03-04","20:19:14",""
"7717671","12.8828","0.0007","24.2495","0.0013","7.6958","0.0004","90","","106.959","0.001","90","","2299.6","0.2","110","2","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Ni_dadt_Ni_NO_Cl","","- C21 H28 Cl N3 Ni2 O S2 -","- C21 H28 Cl N3 Ni2 O S2 -","- C84 H112 Cl4 N12 Ni8 O4 S8 -","4","1","","Jana, Manish; Hall, Michael B.; Darensbourg, Marcetta Y.","A sulfur-templated Ni-Ni' coordination polymer that relies on a polarizable nickel nitrosyl hub.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4927","4934","10.1039/d4dt03174a","","","1.54178","CuKα","","0.0369","0.0338","","","0.0841","0.0862","","","","","","1.124","","","","has coordinates","300987","2025-07-06","17:13:50",""
"7717672","12.1749","0.0003","8.9892","0.0002","13.4302","0.0003","90","","116.65","0.001","90","","1313.69","0.05","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","Ni_Dadt_Bz_Ni_NO_N3_MeCN","","- C23 H31 N7 Ni2 O S2 -","- C23 H31 N7 Ni2 O S2 -","- C46 H62 N14 Ni4 O2 S4 -","2","1","","Jana, Manish; Hall, Michael B.; Darensbourg, Marcetta Y.","A sulfur-templated Ni-Ni' coordination polymer that relies on a polarizable nickel nitrosyl hub.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4927","4934","10.1039/d4dt03174a","","","1.54178","CuKα","","0.0304","0.0285","","","0.0717","0.0725","","","","","","1.042","","","","has coordinates","300987","2025-07-06","17:13:51",""
"7717673","12.23","0.0007","9.0117","0.0005","13.4991","0.0008","90","","115.129","0.003","90","","1346.97","0.14","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","Ni_Dadt_Bz_Ni_NO_N3_DMF","","- C24 H35 N7 Ni2 O2 S2 -","- C24 H35 N7 Ni2 O2 S2 -","- C48 H70 N14 Ni4 O4 S4 -","2","1","","Jana, Manish; Hall, Michael B.; Darensbourg, Marcetta Y.","A sulfur-templated Ni-Ni' coordination polymer that relies on a polarizable nickel nitrosyl hub.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4927","4934","10.1039/d4dt03174a","","x-ray","1.54178","CuKα","","0.0495","0.0412","","","0.0893","0.0966","","","","","","1.074","","","","has coordinates","300987","2025-07-06","17:13:51",""
"7717674","12.0943","0.0004","9.0239","0.0003","12.99","0.0005","90","","114.259","0.002","90","","1292.51","0.08","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H32 N6 Ni2 O2 S2 -","- C21 H28 N6 Ni2 O S2 -","- C42 H56 N12 Ni4 O2 S4 -","2","1","","Jana, Manish; Hall, Michael B.; Darensbourg, Marcetta Y.","A sulfur-templated Ni-Ni' coordination polymer that relies on a polarizable nickel nitrosyl hub.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4927","4934","10.1039/d4dt03174a","","x-ray","1.54178","CuKα","","0.0502","0.0487","","","0.1222","0.1236","","","","","","1.074","","","","has coordinates,has disorder","300987","2025-07-06","17:13:51",""
"7717675","12.177","0.001","12.5543","0.001","18.8033","0.0015","85.08","0.002","82.619","0.003","63.925","0.002","2559.2","0.4","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H62 Cl4 N6 Ni4 S4 -","- C46 H62 Cl4 N6 Ni4 S4 -","- C92 H124 Cl8 N12 Ni8 S8 -","2","1","","Jana, Manish; Hall, Michael B.; Darensbourg, Marcetta Y.","A sulfur-templated Ni-Ni' coordination polymer that relies on a polarizable nickel nitrosyl hub.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4927","4934","10.1039/d4dt03174a","","","0.71073","MoKα","","0.0439","0.0322","","","0.0826","0.0886","","","","","","1.039","","","","has coordinates","300987","2025-07-06","17:13:51",""
"7717676","9.7816","0.0004","15.5698","0.0006","18.7752","0.0007","92.798","0.002","93.041","0.002","92.763","0.002","2848.29","0.19","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C26 H33 Cl N3 Ni2 O P S2 -","- C26 H33 Cl N3 Ni2 O P S2 -","- C104 H132 Cl4 N12 Ni8 O4 P4 S8 -","4","2","","Jana, Manish; Hall, Michael B.; Darensbourg, Marcetta Y.","A sulfur-templated Ni-Ni' coordination polymer that relies on a polarizable nickel nitrosyl hub.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4927","4934","10.1039/d4dt03174a","","x-ray","1.54178","CuKα","","0.0815","0.0677","","","0.1501","0.1573","","","","","","1.09","","","","has coordinates,has disorder","300987","2025-07-06","17:13:51",""
"7717677","6.6907","0.0013","10.312","0.002","11.929","0.002","109.49","0.03","104.54","0.03","96.73","0.03","732.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cu4 S9 Sr3 Zr2 -","- Cu4 S9 Sr3 Zr2 -","- Cu8 S18 Sr6 Zr4 -","2","1","","Barman, Sayani; Yadav, Sweta; Ray, Akshay K.; Swati, ?; Deepa, M.; Niranjan, Manish K.; Prakash, Jai","Sr<sub>3</sub>Zr<sub>2</sub>Cu<sub>4</sub><i>Q</i><sub>9</sub> (<i>Q</i> = S and Se): two novel layered quaternary mixed transition metal chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1871","1883","10.1039/d4dt02928c","","","0.71073","MoKα","","0.0578","0.0474","","","0.1177","0.1239","","","","","","1.087","","","","has coordinates","298279","2025-03-04","20:21:31",""
"7717678","6.9779","0.0014","10.685","0.002","12.302","0.003","109.18","0.03","105.38","0.03","96.56","0.03","814.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cu3.99 Se9 Sr3 Zr2 -","- Cu3.986 Se9 Sr3 Zr2 -","- Cu7.972 Se18 Sr6 Zr4 -","2","1","","Barman, Sayani; Yadav, Sweta; Ray, Akshay K.; Swati, ?; Deepa, M.; Niranjan, Manish K.; Prakash, Jai","Sr<sub>3</sub>Zr<sub>2</sub>Cu<sub>4</sub><i>Q</i><sub>9</sub> (<i>Q</i> = S and Se): two novel layered quaternary mixed transition metal chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1871","1883","10.1039/d4dt02928c","","","0.71073","MoKα","","0.0824","0.0534","","","0.1057","0.1182","","","","","","1.022","","","","has coordinates","298279","2025-03-04","20:21:31",""
"7717679","18.1187","0.0005","18.2532","0.0005","19.0483","0.0006","90","","90","","90","","6299.7","0.3","120","0.1","120","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 B2 Br In N8 -","- C28 H40 B2 Br In N8 -","- C224 H320 B16 Br8 In8 N64 -","8","2","","Brothers, Henry R.; Chambenahalli, Raju; Nichol, Gary S.; Garden, Jennifer A.; Jenkins, David M.","Ring-opening polymerization of ε-caprolactone with a macrocyclic tetracarbene indium complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","487","491","10.1039/d4dt03198a","","","1.54184","CuKα","","0.1048","0.0858","","","0.218","0.2362","","","","","","1.04","","","","has coordinates","298879","2025-04-05","02:53:13",""
"7717680","16.4341","0.0005","17.2956","0.0006","22.0312","0.0007","90","","90","","90","","6262.1","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 B2 In N8 O -","- C30 H45 B2 In N8 O -","- C240 H360 B16 In8 N64 O8 -","8","2","","Brothers, Henry R.; Chambenahalli, Raju; Nichol, Gary S.; Garden, Jennifer A.; Jenkins, David M.","Ring-opening polymerization of ε-caprolactone with a macrocyclic tetracarbene indium complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","487","491","10.1039/d4dt03198a","","x-ray","0.71073","MoKα","","0.0209","0.0199","","","0.0494","0.0502","","","","","","1.049","","","","has coordinates","298879","2025-04-05","02:53:13",""
"7717681","24.8398","0.0006","12.8584","0.0002","20.9327","0.0004","90","","106.149","0.002","90","","6422.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 Cu F9 N2 O -","- C31 H36 Cu F9 N2 O -","- C248 H288 Cu8 F72 N16 O8 -","8","2","","Ruggiero, Tommaso; Van Hecke, Kristof; Cazin, Catherine S. J.; Nolan, Steven P.","[Cu(NHC)(OR)] (R = C(CF<sub>3</sub>)<sub>3</sub>) complexes for N-H and S-H bond activation and as pre-catalysts in the Chan-Evans-Lam reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1329","1333","10.1039/d4dt03322a","","","1.54184","CuKα","","0.0459","0.0373","","","0.0976","0.1034","","","","","","1.032","","","","has coordinates,has disorder","298287","2025-03-04","20:24:57",""
"7717682","10.8667","0.0005","19.1255","0.0007","16.0322","0.0007","90","","107.662","0.005","90","","3174.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 Cl Cu N3 O2 -","- C34 H39 Cl Cu N3 O2 -","- C136 H156 Cl4 Cu4 N12 O8 -","4","1","","Ruggiero, Tommaso; Van Hecke, Kristof; Cazin, Catherine S. J.; Nolan, Steven P.","[Cu(NHC)(OR)] (R = C(CF<sub>3</sub>)<sub>3</sub>) complexes for N-H and S-H bond activation and as pre-catalysts in the Chan-Evans-Lam reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1329","1333","10.1039/d4dt03322a","","x-ray","1.54184","CuKα","","0.1132","0.0906","","","0.1708","0.1812","","","","","","1.019","","","","has coordinates","298287","2025-03-04","20:24:58",""
"7717683","13.5204","0.0002","20.7179","0.0003","21.7926","0.0002","90","","106.196","0.001","90","","5862.15","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H56 Cu F9 N2 O -","- C73 H56 Cu F9 N2 O -","- C292 H224 Cu4 F36 N8 O4 -","4","1","","Ruggiero, Tommaso; Van Hecke, Kristof; Cazin, Catherine S. J.; Nolan, Steven P.","[Cu(NHC)(OR)] (R = C(CF<sub>3</sub>)<sub>3</sub>) complexes for N-H and S-H bond activation and as pre-catalysts in the Chan-Evans-Lam reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1329","1333","10.1039/d4dt03322a","","","1.54184","CuKα","","0.0691","0.0519","","","0.1379","0.1515","","","","","","1.013","","","","has coordinates","298287","2025-03-04","20:24:58",""
"7717684","20.4331","0.0004","19.1734","0.0003","21.8553","0.0004","90","","114.525","0.002","90","","7789.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H47 Cu F9 N2 O3 -","- C33 H40 Cu F9 N2 O3 -","- C264 H320 Cu8 F72 N16 O24 -","8","2","","Ruggiero, Tommaso; Van Hecke, Kristof; Cazin, Catherine S. J.; Nolan, Steven P.","[Cu(NHC)(OR)] (R = C(CF<sub>3</sub>)<sub>3</sub>) complexes for N-H and S-H bond activation and as pre-catalysts in the Chan-Evans-Lam reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1329","1333","10.1039/d4dt03322a","","","1.54184","CuKα","","0.0646","0.0497","","","0.1279","0.1388","","","","","","1.023","","","","has coordinates,has disorder","298287","2025-03-04","20:24:58",""
"7717685","11.6295","0.0002","14.5514","0.0003","15.1131","0.0003","110.462","0.002","92.463","0.002","106.895","0.002","2262.72","0.09","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H12 Ag Cl16 F6 N2 Sb -","- C36 H12 Ag Cl16 F6 N2 Sb -","- C72 H24 Ag2 Cl32 F12 N4 Sb2 -","2","1","","Mibu, Takuto; Matsuoka, Ryota; Nagasaka, Masanari; Kusamoto, Tetsuro","Emission enhancement in a luminescent polychlorinated diphenylpyridylmethyl radical through coordination to silver(I).","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2265","2270","10.1039/d4dt03129f","","x-ray","0.71073","MoKα","","0.0415","0.0309","","","0.0678","0.0711","","","","","","1.073","","","","has coordinates,has disorder","298894","2025-04-05","03:00:03",""
"7717686","21.1319","0.0013","5.8841","0.0003","18.0933","0.0009","90","","123.649","0.002","90","","1872.81","0.18","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- I5 O Se8 V4 -","- I5 O Se8 V4 -","- I20 O4 Se32 V16 -","4","0.5","","Galiev, R. R.; Komarov, V. Y.; Ryzhikov, M. R.; Kozlova, S. G.; Kuznetsov, V. A.; Grayfer, E. D.; Artemkina, S. B.; Fedorov, V. E.","Extended chains in vanadium O-centered complex [V<sub>4</sub>OSe<sub>8</sub>I<sub>5</sub>]<sub>∞</sub>: synthesis and structure.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","2147","2155","10.1039/d4dt02758b","","","0.71073","MoKα","","0.0542","0.0394","","","0.0971","0.1032","","","","","","1.059","","","","has coordinates,has disorder","298278","2025-03-04","20:21:17",""
"7717687","4.6146","0.0002","27.3082","0.0012","7.5147","0.0003","90","","90","","90","","946.98","0.07","100","2","100","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Eu2 Pb5 Pt3 -","- Eu2 Pb5 Pt3 -","- Eu8 Pb20 Pt12 -","4","0.5","","Makhaneva, Anastasiia Yu; Zakharova, Elena Yu; Nesterenko, Sergey N.; Kazakov, Sergey M.; Lyssenko, Konstantin A.; Azarevich, Andrey N.; Bogach, Alexey V.; Kuznetsov, Alexey N.","Eu<sub>2</sub>Pt<sub>3</sub>Pb<sub>5</sub> and SrPt<sub>2</sub>Pb<sub>4</sub>-lead-based intermetallics with Y<sub>2</sub>Rh<sub>3</sub>Sn<sub>5</sub>/NdRh<sub>2</sub>Sn<sub>4</sub>-type polyanionic platinum-lead 3D frameworks.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2393","2402","10.1039/d4dt03293d","","","0.71073","MoKα","","0.0319","0.031","","","0.0736","0.0741","","","","","","1.059","","","","has coordinates","298892","2025-04-05","02:59:36",""
"7717688","19.411","0.005","4.5834","0.0013","7.6548","0.0019","90","","90","","90","","681","0.3","104","2","104","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Pb4 Pt2 Sr -","- Pb4 Pt2 Sr -","- Pb16 Pt8 Sr4 -","4","0.5","","Makhaneva, Anastasiia Yu; Zakharova, Elena Yu; Nesterenko, Sergey N.; Kazakov, Sergey M.; Lyssenko, Konstantin A.; Azarevich, Andrey N.; Bogach, Alexey V.; Kuznetsov, Alexey N.","Eu<sub>2</sub>Pt<sub>3</sub>Pb<sub>5</sub> and SrPt<sub>2</sub>Pb<sub>4</sub>-lead-based intermetallics with Y<sub>2</sub>Rh<sub>3</sub>Sn<sub>5</sub>/NdRh<sub>2</sub>Sn<sub>4</sub>-type polyanionic platinum-lead 3D frameworks.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2393","2402","10.1039/d4dt03293d","","","0.71073","MoKα","","0.0488","0.0399","","","0.0906","0.097","","","","","","0.956","","","","has coordinates","298892","2025-04-05","02:59:36",""
"7717689","7.0595","0.0002","7.7575","0.0002","9.7194","0.0003","81.015","0.002","84.024","0.002","68.617","0.002","488.91","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cl4 Cu N6 O8 -","- C10 H12 Cl4 Cu N6 O8 -","- C10 H12 Cl4 Cu N6 O8 -","1","0.5","","Hsieh, Chang-Chih; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","Cu(II)-mediated tautomerization for the pyrazole-nitrile coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1334","1342","10.1039/d4dt02904f","","","0.71073","MoKα","","0.0375","0.0319","","","0.1073","0.1151","","","","","","0.88","","","","has coordinates","298284","2025-03-04","20:23:42",""
"7717690","8.6343","0.0003","8.8087","0.0003","9.9056","0.0003","65.897","0.003","88.662","0.002","63.858","0.003","605.98","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Cl2 Cu N8 O8 -","- C16 H24 Cl2 Cu N8 O8 -","- C16 H24 Cl2 Cu N8 O8 -","1","0.5","","Hsieh, Chang-Chih; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","Cu(II)-mediated tautomerization for the pyrazole-nitrile coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1334","1342","10.1039/d4dt02904f","","","1.54184","CuKα","","0.0256","0.0251","","","0.0719","0.0724","","","","","","0.992","","","","has coordinates","298284","2025-03-04","20:23:43",""
"7717691","11.8424","0.0009","23.1795","0.0019","13.7638","0.0012","90","","94.605","0.007","90","","3766","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Cl2 Cu N8 O8 -","- C28 H48 Cl2 Cu N8 O8 -","- C112 H192 Cl8 Cu4 N32 O32 -","4","1","","Hsieh, Chang-Chih; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","Cu(II)-mediated tautomerization for the pyrazole-nitrile coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1334","1342","10.1039/d4dt02904f","","","0.71073","MoKα","","0.085","0.056","","","0.1326","0.1449","","","","","","1.057","","","","has coordinates","298284","2025-03-04","20:23:43",""
"7717692","8.7271","0.0002","9.8586","0.0002","12.2365","0.0003","77.454","0.002","85.62","0.002","64.13","0.002","924.46","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H48 Cl2 Cu N8 O8 -","- C28 H48 Cl2 Cu N8 O8 -","- C28 H48 Cl2 Cu N8 O8 -","1","0.5","","Hsieh, Chang-Chih; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","Cu(II)-mediated tautomerization for the pyrazole-nitrile coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1334","1342","10.1039/d4dt02904f","","","1.54184","CuKα","","0.0288","0.0276","","","0.074","0.0747","","","","","","1.033","","","","has coordinates","298284","2025-03-04","20:23:43",""
"7717693","31.7856","0.0003","9.8179","0.0001","31.0513","0.0003","90","","97.695","0.001","90","","9602.85","0.16","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl6 Cu N8 O8 -","- C12 H12 Cl6 Cu N8 O8 -","- C192 H192 Cl96 Cu16 N128 O128 -","16","2","","Hsieh, Chang-Chih; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","Cu(II)-mediated tautomerization for the pyrazole-nitrile coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1334","1342","10.1039/d4dt02904f","","","1.54184","CuKα","","0.0807","0.076","","","0.3696","0.377","","","","","","1.072","","","","has coordinates","298284","2025-03-04","20:23:43",""
"7717694","7.9186","0.0003","11.1291","0.0003","13.1374","0.0004","90","","117.527","0.001","90","","1026.69","0.06","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cl2 Cu I2 N6 O8 -","- C10 H12 Cl2 Cu I2 N6 O8 -","- C20 H24 Cl4 Cu2 I4 N12 O16 -","2","0.5","","Hsieh, Chang-Chih; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","Cu(II)-mediated tautomerization for the pyrazole-nitrile coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1334","1342","10.1039/d4dt02904f","","","0.71073","MoKα","","0.0497","0.0376","","","0.0907","0.0956","","","","","","1.02","","","","has coordinates","298284","2025-03-04","20:23:43",""
"7717695","7.8033","0.0005","9.4838","0.0006","12.8328","0.0008","90","","107.447","0.004","90","","906","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Cl2 Cu N6 O8 -","- C12 H18 Cl2 Cu N6 O8 -","- C24 H36 Cl4 Cu2 N12 O16 -","2","0.5","","Hsieh, Chang-Chih; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","Cu(II)-mediated tautomerization for the pyrazole-nitrile coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1334","1342","10.1039/d4dt02904f","","","0.71073","MoKα","","0.0475","0.0368","","","0.1299","0.1512","","","","","","1.019","","","","has coordinates","298284","2025-03-04","20:23:43",""
"7717696","7.8326","0.0004","10.9412","0.0007","11.5905","0.0007","90","","97.897","0.002","90","","983.86","0.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Br2 Cl2 Cu N6 O8 -","- C10 H12 Br2 Cl2 Cu N6 O8 -","- C20 H24 Br4 Cl4 Cu2 N12 O16 -","2","0.5","","Hsieh, Chang-Chih; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","Cu(II)-mediated tautomerization for the pyrazole-nitrile coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1334","1342","10.1039/d4dt02904f","","","0.71073","MoKα","","0.0535","0.0439","","","0.0829","0.0848","","","","","","1.239","","","","has coordinates","298284","2025-03-04","20:23:43",""
"7717697","31.3023","0.0004","7.10072","0.00007","11.71542","0.00015","90","","90","","90","","2603.97","0.05","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H30 B2 Cu F8 N6 -","- C18 H30 B2 Cu F8 N6 -","- C72 H120 B8 Cu4 F32 N24 -","4","1","","Hsieh, Chang-Chih; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","Cu(II)-mediated tautomerization for the pyrazole-nitrile coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1334","1342","10.1039/d4dt02904f","","","1.54184","CuKα","","0.0351","0.0325","","","0.0822","0.0842","","","","","","1.056","","","","has coordinates","298284","2025-03-04","20:23:43",""
"7717698","5.3447","0.0003","13.7312","0.0007","13.2253","0.0006","90","","92.85","0.004","90","","969.39","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Cl2 Cu N6 O8 -","- C12 H18 Cl2 Cu N6 O8 -","- C24 H36 Cl4 Cu2 N12 O16 -","2","0.5","","Hsieh, Chang-Chih; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","Cu(II)-mediated tautomerization for the pyrazole-nitrile coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1334","1342","10.1039/d4dt02904f","","","0.71073","MoKα","","0.0596","0.0441","","","0.1333","0.1445","","","","","","0.993","","","","has coordinates","298284","2025-03-04","20:23:43",""
"7717699","6.5992","0.0003","8.3622","0.0004","9.3885","0.0005","81.9","0.003","74.576","0.003","74.932","0.003","480.83","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cl4 Cu N6 O8 -","- C10 H12 Cl4 Cu N6 O8 -","- C10 H12 Cl4 Cu N6 O8 -","1","0.5","","Hsieh, Chang-Chih; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","Cu(II)-mediated tautomerization for the pyrazole-nitrile coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1334","1342","10.1039/d4dt02904f","","","0.71073","MoKα","","0.0402","0.0345","","","0.0857","0.0898","","","","","","1.021","","","","has coordinates","298284","2025-03-04","20:23:43",""
"7717700","13.4847","0.0007","10.0717","0.0004","19.0149","0.0011","90","","110.77","","90","","2414.7","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl6 Cu N8 O8 -","- C12 H12 Cl6 Cu N8 O8 -","- C48 H48 Cl24 Cu4 N32 O32 -","4","0.5","","Hsieh, Chang-Chih; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","Cu(II)-mediated tautomerization for the pyrazole-nitrile coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1334","1342","10.1039/d4dt02904f","","","0.71073","MoKα","","0.0539","0.0411","","","0.0879","0.0944","","","","","","1.009","","","","has coordinates","298284","2025-03-04","20:23:43",""
"7717701","8.8912","0.0005","8.8939","0.0006","9.1265","0.0006","90.491","0.004","117.756","0.004","110.978","0.004","582.75","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Cl2 Cu N8 O8 -","- C16 H24 Cl2 Cu N8 O8 -","- C16 H24 Cl2 Cu N8 O8 -","1","0.5","","Hsieh, Chang-Chih; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","Cu(II)-mediated tautomerization for the pyrazole-nitrile coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1334","1342","10.1039/d4dt02904f","","","0.71073","MoKα","","0.0535","0.0418","","","0.1186","0.1299","","","","","","0.892","","","","has coordinates","298284","2025-03-04","20:23:43",""
"7717702","8.9446","0.0007","23.069","0.002","15.8266","0.0011","90","","94.659","0.003","90","","3254.9","0.4","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C15 H15 Cl2 Cu I5 N10 O8 -","- C15 H15 Cl2 Cu I5 N10 O8 -","- C60 H60 Cl8 Cu4 I20 N40 O32 -","4","1","","Hsieh, Chang-Chih; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","Cu(II)-mediated tautomerization for the pyrazole-nitrile coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1334","1342","10.1039/d4dt02904f","","","0.71073","MoKα","","0.0339","0.0312","","","0.1011","0.1044","","","","","","0.918","","","","has coordinates","298284","2025-03-04","20:23:43",""
"7717703","25.8689","0.0005","10.2058","0.0002","20.2127","0.0004","90","","109.232","0.002","90","","5038.6","0.18","297.98","0.1","297.98","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Br4 N4 O2 Zn -","- C16 H28 Br4 N4 O2 Zn -","- C128 H224 Br32 N32 O16 Zn8 -","8","2","","Bai, Yong-Ju; Qi, Jun-Chao; Hou, Ya-Ru; Xia, Zhang-Tian; Shen, Xin; Peng, Hang; Lu, Yan-Zi; Qin, Yan; Lv, Hui-Peng; Liao, Wei-Qiang","An organic-inorganic hybrid ferroelastic with a near-room-temperature phase transition.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2386","2392","10.1039/d4dt03193h","","x-ray","1.54184","CuKα","","0.0959","0.0826","","","0.1724","0.1775","","","","","","1.089","","","","has coordinates,has disorder","298889","2025-04-05","02:58:45",""
"7717704","10.1213","0.0002","20.2424","0.0003","25.725","0.0005","70.636","0.002","86.506","0.001","89.614","0.001","4962.62","0.17","233.14","","233.14","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Br4 N4 O2 Zn -","- C16 H28 Br4 N4 O2 Zn -","- C128 H224 Br32 N32 O16 Zn8 -","8","4","","Bai, Yong-Ju; Qi, Jun-Chao; Hou, Ya-Ru; Xia, Zhang-Tian; Shen, Xin; Peng, Hang; Lu, Yan-Zi; Qin, Yan; Lv, Hui-Peng; Liao, Wei-Qiang","An organic-inorganic hybrid ferroelastic with a near-room-temperature phase transition.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2386","2392","10.1039/d4dt03193h","","","1.54178","CuKα","","0.075","0.0671","","","0.1983","0.2052","","","","","","1.012","","","","has coordinates,has disorder","298889","2025-04-05","02:58:45",""
"7717705","11.7909","0.0001","25.2517","0.0002","29.6625","0.0002","90","","94.966","0.001","90","","8798.57","0.12","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H27 Cl4 N2 O3.5 Pt S -","- C15 H27 Cl4 N2 O3.5 Pt S -","- C240 H432 Cl64 N32 O56 Pt16 S16 -","16","4","","Richter, Stefan; Lönnecke, Peter; Bovan, Dijana; Andrian, Nicoleta; Stoean, Bianca; Lehene, Maria; Silaghi-Dumitrescu, Radu; Gaina, Luiza; Mijatović, Sanja; Maksimović-Ivanić, Danijela; Kaluđerović, Goran N; Hey-Hawkins, Evamarie","Platinum(II/IV) complexes with <i>N</i>-substituted carboxylate ethylenediamine/propylenediamine ligands: preparation, characterization and <i>in vitro</i> activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3597","3609","10.1039/d4dt03041a","","","0.71073","MoKα","","0.0758","0.0372","","","0.0675","0.0789","","","","","","1.02","","","","has coordinates","298923","2025-04-05","03:17:20",""
"7717706","8.0288","0.0002","7.4126","0.0002","16.7813","0.0004","90","","97.874","0.003","90","","989.31","0.04","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl2 N2 O3 Pt -","- C4 H12 Cl2 N2 O3 Pt -","- C16 H48 Cl8 N8 O12 Pt4 -","4","1","","Richter, Stefan; Lönnecke, Peter; Bovan, Dijana; Andrian, Nicoleta; Stoean, Bianca; Lehene, Maria; Silaghi-Dumitrescu, Radu; Gaina, Luiza; Mijatović, Sanja; Maksimović-Ivanić, Danijela; Kaluđerović, Goran N; Hey-Hawkins, Evamarie","Platinum(II/IV) complexes with <i>N</i>-substituted carboxylate ethylenediamine/propylenediamine ligands: preparation, characterization and <i>in vitro</i> activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3597","3609","10.1039/d4dt03041a","","","0.71073","MoKα","","0.03","0.0226","","","0.0474","0.0504","","","","","","1.068","","","","has coordinates","298923","2025-04-05","03:17:20",""
"7717707","12.5082","0.0002","7.2732","0.0002","21.4594","0.0004","90","","99.959","0.002","90","","1922.84","0.07","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H9 Br0.22 Cl2.78 N2 O2 Pt -","- C4 H9 Br0.224 Cl2.776 N2 O2 Pt -","- C32 H72 Br1.792 Cl22.208 N16 O16 Pt8 -","8","1","","Richter, Stefan; Lönnecke, Peter; Bovan, Dijana; Andrian, Nicoleta; Stoean, Bianca; Lehene, Maria; Silaghi-Dumitrescu, Radu; Gaina, Luiza; Mijatović, Sanja; Maksimović-Ivanić, Danijela; Kaluđerović, Goran N; Hey-Hawkins, Evamarie","Platinum(II/IV) complexes with <i>N</i>-substituted carboxylate ethylenediamine/propylenediamine ligands: preparation, characterization and <i>in vitro</i> activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3597","3609","10.1039/d4dt03041a","","","0.71073","MoKα","","0.0433","0.0284","","","0.046","0.0491","","","","","","1.079","","","","has coordinates","298923","2025-04-05","03:17:20",""
"7717708","18.6388","0.0007","13.4796","0.0005","16.9256","0.0006","90","","106.73","0.001","90","","4072.5","0.3","102","2","102","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl4 Mo2 N8 O8 -","- C32 H40 Cl4 Mo2 N8 O8 -","- C128 H160 Cl16 Mo8 N32 O32 -","4","1","","Mondal, Palash; Dutta, Poulami; Mani, Ganesan","Mo(0) carbonyl complexes bearing the bis(3,5-dimethylpyrazole) ligand: catalysis of the regioselective [2 + 2 + 2] cycloaddition of terminal alkynes to synthesize 1,3,5-isomers.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2654","2663","10.1039/d4dt02725f","","","0.71073","MoKα","","0.0439","0.0374","","","0.0933","0.0971","","","","","","1.04","","","","has coordinates,has disorder","298899","2025-04-05","03:01:36",""
"7717709","28.534","0.003","9.0364","0.0008","18.5849","0.0016","90","","93.962","0.005","90","","4780.6","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Mo N6 O4 -","- C20 H26 Mo N6 O4 -","- C160 H208 Mo8 N48 O32 -","8","1","","Mondal, Palash; Dutta, Poulami; Mani, Ganesan","Mo(0) carbonyl complexes bearing the bis(3,5-dimethylpyrazole) ligand: catalysis of the regioselective [2 + 2 + 2] cycloaddition of terminal alkynes to synthesize 1,3,5-isomers.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2654","2663","10.1039/d4dt02725f","","","0.71073","MoKα","","0.0294","0.0248","","","0.065","0.0674","","","","","","1.051","","","","has coordinates","298899","2025-04-05","03:01:40",""
"7717710","11.9213","0.0008","8.1536","0.0006","16.178","0.0011","90","","91.743","0.006","90","","1571.8","0.19","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N3 P -","- C20 H14 N3 P -","- C80 H56 N12 P4 -","4","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Gourkhede, Rani; Pandey, Ankit; Kaur, Bhupinder; Balakrishna, Maravanji S.","Triazolyl-phosphole and triazolyl-azaphosphole: synthesis, transition metal complexes and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2599","2608","10.1039/d4dt03213f","","","0.71073","MoKα","","0.1411","0.0767","","","0.1658","0.2073","","","","","","1.026","","","","has coordinates,has disorder","298898","2025-04-05","03:01:17",""
"7717711","9.1297","0.0003","9.3832","0.0004","11.0431","0.0004","112.436","0.004","95.007","0.003","109.94","0.004","795.84","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N3 P -","- C20 H14 N3 P -","- C40 H28 N6 P2 -","2","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Gourkhede, Rani; Pandey, Ankit; Kaur, Bhupinder; Balakrishna, Maravanji S.","Triazolyl-phosphole and triazolyl-azaphosphole: synthesis, transition metal complexes and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2599","2608","10.1039/d4dt03213f","","","0.71073","MoKα","","0.0709","0.0535","","","0.1227","0.1346","","","","","","1.051","","","","has coordinates","298898","2025-04-05","03:01:17",""
"7717712","9.3109","0.0007","10.3812","0.0008","16.2248","0.001","88.026","0.006","82.589","0.006","77.993","0.006","1521.09","0.19","150","0.1","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H30 Cl4 N3 P Ru -","- C31 H30 Cl4 N3 P Ru -","- C62 H60 Cl8 N6 P2 Ru2 -","2","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Gourkhede, Rani; Pandey, Ankit; Kaur, Bhupinder; Balakrishna, Maravanji S.","Triazolyl-phosphole and triazolyl-azaphosphole: synthesis, transition metal complexes and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2599","2608","10.1039/d4dt03213f","","","0.71073","MoKα","","0.1218","0.0623","","","0.1297","0.1523","","","","","","1.051","","","","has coordinates,has disorder","298898","2025-04-05","03:01:17",""
"7717713","11.703","0.002","12.007","0.003","20.205","0.004","100.408","0.003","95.061","0.004","112.248","0.003","2546","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H84 N9 P3 Zn6 -","- C36 H84 N9 P3 Zn6 -","- C72 H168 N18 P6 Zn12 -","2","1","","Boomishankar, Ramamoorthy; Richards, Philip I.; Steiner, Alexander","Tipping the balance between <i>twist</i> and <i>chair</i> ligand conformers in multinuclear ethylzinc cyclophosphazenates.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2628","2633","10.1039/d4dt03004d","","","0.71073","MoKα","","0.0541","0.0468","","","0.1243","0.1305","","","","","","1.022","","","","has coordinates,has disorder","298901","2025-04-05","03:02:28",""
"7717714","13.2503","0.0018","28.806","0.005","22.918","0.003","90","","96.989","0.016","90","","8683","2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H134 N18 P6 Zn11 -","- C56 H134 N18 P6 Zn11 -","- C224 H536 N72 P24 Zn44 -","4","1","","Boomishankar, Ramamoorthy; Richards, Philip I.; Steiner, Alexander","Tipping the balance between <i>twist</i> and <i>chair</i> ligand conformers in multinuclear ethylzinc cyclophosphazenates.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2628","2633","10.1039/d4dt03004d","","","0.71073","MoKα","","0.1083","0.0669","","","0.1579","0.1703","","","","","","0.956","","","","has coordinates,has disorder","298901","2025-04-05","03:02:29",""
"7717715","11.922","0.003","12.49","0.003","25.336","0.007","91.175","0.004","99.758","0.004","118.034","0.004","3260","1.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H96 N18 P6 Zn12 -","- C36 H96 N18 P6 Zn12 -","- C72 H192 N36 P12 Zn24 -","2","1","","Boomishankar, Ramamoorthy; Richards, Philip I.; Steiner, Alexander","Tipping the balance between <i>twist</i> and <i>chair</i> ligand conformers in multinuclear ethylzinc cyclophosphazenates.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2628","2633","10.1039/d4dt03004d","","","0.71073","MoKα","","0.1312","0.0687","","","0.1782","0.2103","","","","","","1.051","","","","has coordinates,has disorder","298901","2025-04-05","03:02:29",""
"7717716","26.8","0.005","13.633","0.002","25.325","0.004","90","","107.425","0.005","90","","8828","3","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C116 H280 N36 O3 P12 Zn25 -","- C116 H280 N36 O3 P12 Zn25 -","- C232 H560 N72 O6 P24 Zn50 -","2","0.5","","Boomishankar, Ramamoorthy; Richards, Philip I.; Steiner, Alexander","Tipping the balance between <i>twist</i> and <i>chair</i> ligand conformers in multinuclear ethylzinc cyclophosphazenates.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2628","2633","10.1039/d4dt03004d","","","0.71073","MoKα","","0.2406","0.0824","","","0.1598","0.2182","","","","","","0.919","","","","has coordinates,has disorder","298901","2025-04-05","03:02:29",""
"7717717","16.465","0.01","14.702","0.012","18.759","0.012","90","","92.77","0.05","90","","4536","5","302","2","302","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 Cl6 N4 O3 -","- C44 H50 Cl6 N4 O3 -","- C176 H200 Cl24 N16 O12 -","4","1","","Gao, Fengxin; Xu, Xiaocheng; Yang, Xiaofan; Cao, Hong; Fang, Dong; Xu, Lei; Xu, Chao; Xiao, Chengliang","Completely preorganized bis-lactam-1,10-phenanthroline ligands with high stability for efficient separation of Am(III) over Eu(III).","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2871","2876","10.1039/d4dt02956a","","","1.54178","CuKα","","0.1262","0.0836","","","0.238","0.2824","","","","","","1.058","","","","has coordinates,has disorder","298908","2025-04-05","03:09:31",""
"7717718","11.9711","0.0001","10.5308","0.0001","29.8099","0.0002","90","","91.98","0.001","90","","3755.75","0.05","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cl2 N6 O15 Ru2 S -","- C28 H34 Cl2 N6 O15 Ru2 S -","- C112 H136 Cl8 N24 O60 Ru8 S4 -","4","1","","Misawa-Suzuki, Tomoyo; Kataoka, Yusuke; Mafune, Sota; Niwa, Teresa; Nagao, Hirotaka","Ru(IV)-Ru(IV), Ru(III)-Ru(IV), and Ru(III)-Ru(III) complexes having a sulfato bridging ligand on the doubly oxido-/hydroxido-bridged core, and their crystallographic and electronic structures.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2937","2949","10.1039/d4dt02833c","","x-ray","1.54184","CuKα","","0.0329","0.0289","","","0.0783","0.081","","","","","","1.048","","","","has coordinates","298904","2025-04-05","03:08:29",""
"7717719","13.2259","0.0001","15.874","0.0001","19.5308","0.0002","90","","108.528","0.001","90","","3887.92","0.06","566.15","","566.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 Cl3 N6 O17.25 Ru2 -","- C29 H35 Cl3 N6 O17.25 Ru2 -","- C116 H140 Cl12 N24 O69 Ru8 -","4","1","","Misawa-Suzuki, Tomoyo; Kataoka, Yusuke; Mafune, Sota; Niwa, Teresa; Nagao, Hirotaka","Ru(IV)-Ru(IV), Ru(III)-Ru(IV), and Ru(III)-Ru(III) complexes having a sulfato bridging ligand on the doubly oxido-/hydroxido-bridged core, and their crystallographic and electronic structures.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2937","2949","10.1039/d4dt02833c","","x-ray","1.54184","CuKα","","0.0478","0.0451","","","0.1207","0.1233","","","","","","1.033","","","","has coordinates,has disorder","298904","2025-04-05","03:08:30",""
"7717720","23.8895","0.0003","13.7436","0.0002","23.2881","0.0003","90","","90","","90","","7646.13","0.18","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C28 H34 Cl2 N6 O15.5 Ru2 S -","- C28 H34 Cl2 N6 O15.5 Ru2 S -","- C224 H272 Cl16 N48 O124 Ru16 S8 -","8","2","","Misawa-Suzuki, Tomoyo; Kataoka, Yusuke; Mafune, Sota; Niwa, Teresa; Nagao, Hirotaka","Ru(IV)-Ru(IV), Ru(III)-Ru(IV), and Ru(III)-Ru(III) complexes having a sulfato bridging ligand on the doubly oxido-/hydroxido-bridged core, and their crystallographic and electronic structures.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2937","2949","10.1039/d4dt02833c","","x-ray","1.54184","CuKα","","0.0403","0.0361","","","0.0957","0.0989","","","","","","1.027","","","","has coordinates,has disorder","298904","2025-04-05","03:08:30",""
"7717721","19.7382","0.0002","19.1628","0.0002","20.5985","0.0002","90","","98.15","0.001","90","","7712.47","0.14","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Cl N6 O13.5 Ru2 S -","- C28 H34 Cl N6 O13.5 Ru2 S -","- C224 H272 Cl8 N48 O108 Ru16 S8 -","8","2","","Misawa-Suzuki, Tomoyo; Kataoka, Yusuke; Mafune, Sota; Niwa, Teresa; Nagao, Hirotaka","Ru(IV)-Ru(IV), Ru(III)-Ru(IV), and Ru(III)-Ru(III) complexes having a sulfato bridging ligand on the doubly oxido-/hydroxido-bridged core, and their crystallographic and electronic structures.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2937","2949","10.1039/d4dt02833c","","","1.54184","CuKα","","0.0466","0.0409","","","0.1195","0.1244","","","","","","1.035","","","","has coordinates,has disorder","298904","2025-04-05","03:08:30",""
"7717722","23.339","0.0002","10.7761","0.0001","31.4769","0.0002","90","","106.807","0.001","90","","7578.39","0.11","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Cl2 N6 O14.75 Ru2 S -","- C28 H34 Cl2 N6 O14.75 Ru2 S -","- C224 H272 Cl16 N48 O118 Ru16 S8 -","8","2","","Misawa-Suzuki, Tomoyo; Kataoka, Yusuke; Mafune, Sota; Niwa, Teresa; Nagao, Hirotaka","Ru(IV)-Ru(IV), Ru(III)-Ru(IV), and Ru(III)-Ru(III) complexes having a sulfato bridging ligand on the doubly oxido-/hydroxido-bridged core, and their crystallographic and electronic structures.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2937","2949","10.1039/d4dt02833c","","x-ray","1.54184","CuKα","","0.045","0.0382","","","0.1086","0.1149","","","","","","1.024","","","","has coordinates,has disorder","298904","2025-04-05","03:08:30",""
"7717723","10.965","0.0004","13.7874","0.0005","15.5996","0.0005","64.2197","0.0015","73.4957","0.0016","67.1373","0.0016","1937.85","0.12","130","1","130","1","","","","","","","","7","P -1","-P 1","2","","5,15-(2,3,5,6-tetrafluorophenyl)-10-diethylphenylphosphonate corrole","","- C42 H29 Cl2 F8 N4 O3 P -","- C42 H29 Cl2 F8 N4 O3 P -","- C84 H58 Cl4 F16 N8 O6 P2 -","2","1","","Divoux, Gaëlle; Loze, Margerie; Rousselin, Yoann; Brandès, Stéphane; Gros, Claude P.; Desbois, Nicolas; André, Laurie","Phenylphosphonic acid corroles: corroles that link and bind.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1784","1790","10.1039/d4dt03197k","","x-ray","1.54178","CuKα","K-L~3~","0.0435","0.042","","","0.1205","0.1218","","","","","","1.033","","","","has coordinates","298268","2025-03-04","20:18:38",""
"7717724","32.0791","0.0012","9.7153","0.0004","22.1492","0.0007","90","","109.019","0.001","90","","6526.1","0.4","90","0.2","90","0.2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H60 Au Cl F12 N4 P6 -","- C68 H60 Au Cl F12 N4 P6 -","- C272 H240 Au4 Cl4 F48 N16 P24 -","4","0.5","","Arojojoye, Adedamola S.; Holmes, Justin; Obisesan, Oluwatosin A.; Parkin, Sean; Awuah, Samuel G.","Stoichiometry effect on the structure, coordination and anticancer activity of gold(I/III) bisphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","2018","2026","10.1039/d4dt01663g","","","0.71073","MoKα","","0.0213","0.0198","","","0.0467","0.0473","","","","","","1.091","","","","has coordinates,has disorder","298274","2025-03-04","20:20:08",""
"7717725","14.8238","0.0005","14.9728","0.0005","17.2596","0.0005","74.169","0.001","84.618","0.001","65.137","0.001","3342.98","0.19","90","0.2","90","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H60 Au3 Cl11 O P4 -","- C65 H60 Au3 Cl11 O P4 -","- C130 H120 Au6 Cl22 O2 P8 -","2","1","","Arojojoye, Adedamola S.; Holmes, Justin; Obisesan, Oluwatosin A.; Parkin, Sean; Awuah, Samuel G.","Stoichiometry effect on the structure, coordination and anticancer activity of gold(I/III) bisphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","2018","2026","10.1039/d4dt01663g","","","0.71073","MoKα","","0.0741","0.0448","","","0.1033","0.1132","","","","","","1.027","","","","has coordinates,has disorder","298274","2025-03-04","20:20:08",""
"7717726","16.6831","0.0008","10.0197","0.0004","18.8593","0.001","90","","98.358","0.002","90","","3119","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H78 Cl4 N8 Ta2 -","- C65 H78 Cl4 N8 Ta2 -","- C130 H156 Cl8 N16 Ta4 -","2","0.5","","Pavlidis, Sotirios; Alasadi, Jasmin; Opis-Basilio, Amanda; Abbenseth, Josh","Two-fold proton coupled electron transfer of a Ta(V) aniline complex mediated by a redox active NNN pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2421","2429","10.1039/d4dt03281k","","","0.71073","MoKα","","0.0506","0.0293","","","0.0507","0.0582","","","","","","1.04","","","","has coordinates,has disorder","298896","2025-04-05","03:00:27",""
"7717727","21.2427","0.0005","17.399","0.0005","16.6559","0.0004","90","","100.423","0.001","90","","6054.5","0.3","102","2","102","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Cl3 N3 Ta -","- C30 H38 Cl3 N3 Ta -","- C240 H304 Cl24 N24 Ta8 -","8","2","","Pavlidis, Sotirios; Alasadi, Jasmin; Opis-Basilio, Amanda; Abbenseth, Josh","Two-fold proton coupled electron transfer of a Ta(V) aniline complex mediated by a redox active NNN pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2421","2429","10.1039/d4dt03281k","","","0.71073","MoKα","","0.054","0.0372","","","0.0756","0.0842","","","","","","1.015","","","","has coordinates,has disorder","298896","2025-04-05","03:00:28",""
"7717728","14.7961","0.0003","17.6077","0.0004","17.5721","0.0003","90","","108.634","0.001","90","","4337.99","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H71 Cl N3 O Ta -","- C46 H71 Cl N3 O Ta -","- C184 H284 Cl4 N12 O4 Ta4 -","4","1","","Pavlidis, Sotirios; Alasadi, Jasmin; Opis-Basilio, Amanda; Abbenseth, Josh","Two-fold proton coupled electron transfer of a Ta(V) aniline complex mediated by a redox active NNN pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2421","2429","10.1039/d4dt03281k","","","0.71073","MoKα","","0.0219","0.019","","","0.0434","0.0456","","","","","","0.979","","","","has coordinates,has disorder","298896","2025-04-05","03:00:28",""
"7717729","39.7664","0.0015","10.2851","0.0004","20.4074","0.0008","90","","105.501","0.002","90","","8043.1","0.5","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cl2 N4 S2 Zn -","- C42 H40 Cl2 N4 S2 Zn -","- C336 H320 Cl16 N32 S16 Zn8 -","8","1","","Mandal, Suman; Lahkar, Bikash; Muduli, Gopendra; Rawat, Arushi; Sahu, Abhilash; Tsutsumi, Osamu; Prabusankar, Ganesan","Fluorescent zinc(II) thione and selone complexes for light-emitting applications.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1384","1392","10.1039/d4dt02924k","","","0.71073","MoKα","","0.0648","0.0388","","","0.0907","0.1028","","","","","","1.03","","","","has coordinates","298280","2025-03-04","20:22:08",""
"7717730","9.7737","0.0015","12.6125","0.0019","18.399","0.003","78.893","0.005","77.02","0.005","74.82","0.005","2111.3","0.6","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 Br2 N4 S2 Zn -","- C42 H40 Br2 N4 S2 Zn -","- C84 H80 Br4 N8 S4 Zn2 -","2","1","","Mandal, Suman; Lahkar, Bikash; Muduli, Gopendra; Rawat, Arushi; Sahu, Abhilash; Tsutsumi, Osamu; Prabusankar, Ganesan","Fluorescent zinc(II) thione and selone complexes for light-emitting applications.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1384","1392","10.1039/d4dt02924k","","","0.71073","MoKα","","0.1152","0.0555","","","0.1249","0.1476","","","","","","1.036","","","","has coordinates","298280","2025-03-04","20:22:10",""
"7717731","10.1471","0.0017","18.739","0.003","22.137","0.004","90","","98.777","0.006","90","","4160","1.2","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 I2 N4 S2 Zn -","- C42 H40 I2 N4 S2 Zn -","- C168 H160 I8 N16 S8 Zn4 -","4","1","","Mandal, Suman; Lahkar, Bikash; Muduli, Gopendra; Rawat, Arushi; Sahu, Abhilash; Tsutsumi, Osamu; Prabusankar, Ganesan","Fluorescent zinc(II) thione and selone complexes for light-emitting applications.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1384","1392","10.1039/d4dt02924k","","","0.71073","MoKα","","0.0995","0.0471","","","0.0908","0.1076","","","","","","1.016","","","","has coordinates","298280","2025-03-04","20:22:10",""
"7717732","9.833","0.004","12.903","0.005","18.383","0.008","78.137","0.014","76.45","0.014","74.168","0.014","2156.3","1.5","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","L6SeZnCl2","","- C43.5 H41.5 Cl2 N5 Se2 Zn -","- C43.5 H41.5 Cl2 N5 Se2 Zn -","- C87 H83 Cl4 N10 Se4 Zn2 -","2","1","","Mandal, Suman; Lahkar, Bikash; Muduli, Gopendra; Rawat, Arushi; Sahu, Abhilash; Tsutsumi, Osamu; Prabusankar, Ganesan","Fluorescent zinc(II) thione and selone complexes for light-emitting applications.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1384","1392","10.1039/d4dt02924k","","","0.71073","MoKα","","0.0626","0.0375","","","0.0857","0.0959","","","","","","1.015","","","","has coordinates","298280","2025-03-04","20:22:10",""
"7717733","12.7858","0.0005","19.3482","0.0006","20.0914","0.0006","81.874","0.003","71.534","0.003","78.323","0.003","4600.8","0.3","99.9","0.6","99.9","0.6","","","","","","","","7","P -1","-P 1","2","[((hexadiene)Pt)2Ttftt](BArF4)2","(μ-1,1',3,3'-tetrathiafulvalene-4,4',5,5'-tetrathiolato cation)-bis(hexa-1,5-diene)-di-platinum(ii) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate dichloromethane solvate","","- C83 H46 B2 Cl2 F48 Pt2 S8 -","- C83 H46 B2 Cl2 F48 Pt2 S8 -","- C166 H92 B4 Cl4 F96 Pt4 S16 -","2","1","","Lopez, Nathan E.; McNamara, Lauren E.; Anferov, Sophie W.; Anderson, John S.","Deconvoluting capping ligand influence on photophysical properties in tetrathiafulvalene-based diradicaloids.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","908","914","10.1039/d4dt03305a","","x-ray","1.54184","CuKα","","0.1973","0.1632","","","0.3507","0.3697","","","","","","1.108","","","","has coordinates,has disorder","298945","2025-04-05","03:23:50",""
"7717734","12.4199","0.0003","21.1332","0.0005","21.2983","0.0004","77.134","0.002","73.854","0.002","87.251","0.002","5234.3","0.2","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","[((NBD)Pt)2Ttftt](BArF4)2","(μ-1,1',3,3'-tetrathiafulvalene-4,4',5,5'-tetrathiolato cation)-bis(norbornadiene)-di-platinum(ii) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate","","- C84.04 H40.03 B2 F48 Pt2 S8 -","- C84.03 H40.03 B2 F48 Pt2 S8 -","- C168.06 H80.06 B4 F96 Pt4 S16 -","2","1","","Lopez, Nathan E.; McNamara, Lauren E.; Anferov, Sophie W.; Anderson, John S.","Deconvoluting capping ligand influence on photophysical properties in tetrathiafulvalene-based diradicaloids.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","908","914","10.1039/d4dt03305a","","x-ray","0.71073","MoKα","","0.1679","0.1204","","","0.2149","0.2389","","","","","","1.079","","","","has coordinates,has disorder","298945","2025-04-05","03:23:51",""
"7717735","14.63","0.004","15.47","0.004","19.5","0.005","77.831","0.008","78.221","0.008","79.506","0.009","4178.5","1.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[((P(O(4-CF3-Ph)3)2)Pt)2Ttftt](BArF4)2","(μ-2-[4,5-bis(sulfanyl)-2H-1,3-dithiol-2-ylidene]-2H-1,3-dithiole-4,5-dithiolato diradical dication)-bis[(para-trifluoromethylphenylphosphite)]-di-platinum(ii) bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]borate)","","- C77 H35 B F42 O6 P2 Pt S4 -","- C77 H35 B F42 O6 P2 Pt S4 -","- C154 H70 B2 F84 O12 P4 Pt2 S8 -","2","1","","Lopez, Nathan E.; McNamara, Lauren E.; Anferov, Sophie W.; Anderson, John S.","Deconvoluting capping ligand influence on photophysical properties in tetrathiafulvalene-based diradicaloids.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","908","914","10.1039/d4dt03305a","","","0.71073","MoKα","","0.2834","0.2214","","","0.5152","0.553","","","","","","1.077","","","","has coordinates,has disorder","298945","2025-04-05","03:23:51",""
"7717736","17.3397","0.0012","24.6986","0.0018","18.9907","0.0014","90","","116.819","0.002","90","","7258.3","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[((P(OPh3)2)Pt)2Ttftt](BArF4)2","(μ-2-[4,5-bis(sulfanyl)-2H-1,3-dithiol-2-ylidene]-2H-1,3-dithiole-4,5-dithiolato diradical dication)-bis[(triphenylphosphite)]-di-platinum(ii) bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]borate)","","- C142 H84 B2 F48 O12 P4 Pt2 S8 -","- C142 H84 B2 F48 O12 P4 Pt2 S8 -","- C284 H168 B4 F96 O24 P8 Pt4 S16 -","2","0.5","","Lopez, Nathan E.; McNamara, Lauren E.; Anferov, Sophie W.; Anderson, John S.","Deconvoluting capping ligand influence on photophysical properties in tetrathiafulvalene-based diradicaloids.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","908","914","10.1039/d4dt03305a","","","0.71073","MoKα","","0.1491","0.0772","","","0.1904","0.2677","","","","","","1.179","","","","has coordinates,has disorder","298945","2025-04-05","03:23:51",""
"7717737","13.4282","0.0008","15.2001","0.0009","24.6605","0.0015","90","","103.942","0.001","90","","4885.2","0.5","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[((1,5-Me2COD)Pt)2Ttftt](BArF4)2","(μ-2-[4,5-bis(sulfanyl)-2H-1,3-dithiol-2-ylidene]-2H-1,3-dithiole-4,5-dithiolato diradical dication)-bis[(1,5-dimethylcycloocta-1,5-diene)]-di-platinum(ii) bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]borate)","","- C90 H56 B2 F48 Pt2 S8 -","- C90 H56 B2 F48 Pt2 S8 -","- C180 H112 B4 F96 Pt4 S16 -","2","0.5","","Lopez, Nathan E.; McNamara, Lauren E.; Anferov, Sophie W.; Anderson, John S.","Deconvoluting capping ligand influence on photophysical properties in tetrathiafulvalene-based diradicaloids.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","908","914","10.1039/d4dt03305a","","","0.71073","MoKα","","0.0893","0.0691","","","0.1292","0.1397","","","","","","1.175","","","","has coordinates,has disorder","298945","2025-04-05","03:23:51",""
"7717738","26.9879","0.0015","21.3132","0.0011","29.4717","0.0016","90","","99.619","0.002","90","","16713.7","1.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[((P(O(2-CH3-Ph)3)2)Pt)2Ttftt](BArF4)2","(μ-2-[4,5-bis(sulfanyl)-2H-1,3-dithiol-2-ylidene]-2H-1,3-dithiole-4,5-dithiolato diradical dication)-bis[(ortho-methylphenylphosphite)]-di-platinum(ii) bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]borate)","","- C77 H54 B F24 O6 P2 Pt S4 -","- C77 H54 B F24 O6 P2 Pt S4 -","- C616 H432 B8 F192 O48 P16 Pt8 S32 -","8","2","","Lopez, Nathan E.; McNamara, Lauren E.; Anferov, Sophie W.; Anderson, John S.","Deconvoluting capping ligand influence on photophysical properties in tetrathiafulvalene-based diradicaloids.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","908","914","10.1039/d4dt03305a","","","0.71073","MoKα","","0.2169","0.1272","","","0.3053","0.4029","","","","","","1.441","","","","has coordinates,has disorder","298945","2025-04-05","03:23:51",""
"7717739","19.6032","0.0009","10.9806","0.0005","20.4878","0.0008","90","","110.145","0.0014","90","","4140.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H61 Ge K N2 O6 Si3 -","- C32 H61 Ge K N2 O6 Si3 -","- C128 H244 Ge4 K4 N8 O24 Si12 -","4","1","","Liu, Chenghuan; Schmidtmann, Marc; Müller, Thomas","Synthesis and exploration of a 1<i>H</i>-germol-1-ide/pyridine bidentate ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","2005","2010","10.1039/d4dt03134b","","","0.71073","MoKα","","0.0546","0.041","","","0.0817","0.0867","","","","","","1.033","","","","has coordinates","298266","2025-03-04","20:17:43",""
"7717740","10.8498","0.0005","14.8521","0.0007","16.7213","0.0008","76.534","0.002","82.7769","0.0019","88.1701","0.0019","2599.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H74 Ge3 N4 Si6 -","- C40 H74 Ge3 N4 Si6 -","- C80 H148 Ge6 N8 Si12 -","2","1","","Liu, Chenghuan; Schmidtmann, Marc; Müller, Thomas","Synthesis and exploration of a 1<i>H</i>-germol-1-ide/pyridine bidentate ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","2005","2010","10.1039/d4dt03134b","","","0.71073","MoKα","","0.039","0.03","","","0.0741","0.0771","","","","","","1.127","","","","has coordinates","298266","2025-03-04","20:17:44",""
"7717741","10.2981","0.0005","15.1609","0.0007","17.333","0.0008","90","","99.0183","0.0019","90","","2672.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H37 Cl Ge N2 Si3 -","- C20 H37 Cl Ge N2 Si3 -","- C80 H148 Cl4 Ge4 N8 Si12 -","4","1","","Liu, Chenghuan; Schmidtmann, Marc; Müller, Thomas","Synthesis and exploration of a 1<i>H</i>-germol-1-ide/pyridine bidentate ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","2005","2010","10.1039/d4dt03134b","","","0.71073","MoKα","","0.0291","0.0222","","","0.056","0.0586","","","","","","1.048","","","","has coordinates","298266","2025-03-04","20:17:44",""
"7717742","11.9907","0.0007","14.3069","0.0008","15.3368","0.0008","79.3746","0.0019","84.9106","0.0019","89.631","0.002","2575.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H74 Ge2 N4 Si6 Sn -","- C40 H74 Ge2 N4 Si6 Sn -","- C80 H148 Ge4 N8 Si12 Sn2 -","2","1","","Liu, Chenghuan; Schmidtmann, Marc; Müller, Thomas","Synthesis and exploration of a 1<i>H</i>-germol-1-ide/pyridine bidentate ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","2005","2010","10.1039/d4dt03134b","","","0.71073","MoKα","","0.0214","0.0176","","","0.0452","0.0466","","","","","","1.057","","","","has coordinates","298266","2025-03-04","20:17:44",""
"7717743","18.1865","0.001","11.1064","0.0006","21.3125","0.0012","90","","99.3567","0.0011","90","","4247.6","0.4","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49.5 H51 N6 Zr2 -","- C49.5 H51 N6 Zr2 -","- C198 H204 N24 Zr8 -","4","1","","Proges, Charlotte; Lindenau, Kevin; Rothe, Julia; Spannenberg, Anke; Baumann, Wolfgang; Reiß, Fabian; Schulz, Axel; Beweries, Torsten","A zirconocene triazenido hydride complex activates CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1929","1934","10.1039/d4dt03155e","","","0.71073","MoKα","","0.0517","0.0421","","","0.0966","0.1027","","","","","","1.028","","","","has coordinates,has disorder","298276","2025-03-04","20:20:38",""
"7717744","13.9161","0.0007","11.0704","0.0006","14.3592","0.0007","90","","115.42","0.002","90","","1997.97","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O2 Zr -","- C23 H21 N3 O2 Zr -","- C92 H84 N12 O8 Zr4 -","4","1","","Proges, Charlotte; Lindenau, Kevin; Rothe, Julia; Spannenberg, Anke; Baumann, Wolfgang; Reiß, Fabian; Schulz, Axel; Beweries, Torsten","A zirconocene triazenido hydride complex activates CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1929","1934","10.1039/d4dt03155e","","","1.54178","CuKα","","0.0228","0.0223","","","0.0562","0.0566","","","","","","1.055","","","","has coordinates","298276","2025-03-04","20:20:39",""
"7717745","9.4488","0.0011","17.913","0.002","17.982","0.002","89.561","0.005","79.782","0.005","83.183","0.004","2973.8","0.6","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C37 H32 N P Si -","- C37 H32 N P Si -","- C148 H128 N4 P4 Si4 -","4","2","","Soran, Albert; Chapple, Peter M.; Longuet, Claire; Sonnier, Rodolphe; Cordier, Marie; Carpentier, Jean-François; Sarazin, Yann","Phosphorus-containing polycarbosilazanes: synthesis <i>via</i> dehydrocoupling catalysis and flame-retardant properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","2037","2054","10.1039/d4dt03172e","","x-ray","0.71073","MoKα","","0.1557","0.1424","","","0.3788","0.3868","","","","","","1.189","","","","has coordinates","298270","2025-03-04","20:19:02",""
"7717746","10.8294","0.0009","8.7426","0.0007","16.9192","0.001","90","","91.869","0.003","90","","1601","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 P Si -","- C18 H17 P Si -","- C72 H68 P4 Si4 -","4","1","","Soran, Albert; Chapple, Peter M.; Longuet, Claire; Sonnier, Rodolphe; Cordier, Marie; Carpentier, Jean-François; Sarazin, Yann","Phosphorus-containing polycarbosilazanes: synthesis <i>via</i> dehydrocoupling catalysis and flame-retardant properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","2037","2054","10.1039/d4dt03172e","","x-ray","0.71073","MoKα","","0.0242","0.0213","","","0.0541","0.056","","","","","","1.037","","","","has coordinates","298270","2025-03-04","20:19:02",""
"7717747","12.1937","0.0005","13.9195","0.0006","12.8752","0.0007","90","","98.907","0.002","90","","2158.96","0.17","170","2","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Mo12 N4 O40 P -","- C14 H14 Mo12 N4 O40 P -","- C28 H28 Mo24 N8 O80 P2 -","2","0.5","","Wang, Jihua; Li, Hui; Gong, Lige; Dong, Limin; Gu, Yunhao; Wang, Meijia; Yang, BingHe","Pyridine polymer tubular structures connected with polyoxometalates as bifunctional electrocatalysts for water splitting.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3456","3466","10.1039/d4dt02612h","","","0.71073","MoKα","","0.0903","0.0734","","","0.1868","0.1993","","","","","","1.078","","","","has coordinates","298252","2025-03-04","20:10:17",""
"7717748","16.4763","0.0008","20.7944","0.0009","13.9606","0.0005","90","","90","","90","","4783.1","0.4","100","2","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H24 Mo12 N4 O40 P -","- C20 H24 Mo12 N4 O40 P -","- C80 H96 Mo48 N16 O160 P4 -","4","0.5","","Wang, Jihua; Li, Hui; Gong, Lige; Dong, Limin; Gu, Yunhao; Wang, Meijia; Yang, BingHe","Pyridine polymer tubular structures connected with polyoxometalates as bifunctional electrocatalysts for water splitting.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3456","3466","10.1039/d4dt02612h","","","0.71073","MoKα","","0.1112","0.085","","","0.2248","0.2464","","","","","","1.053","","","","has coordinates","298252","2025-03-04","20:10:18",""
"7717749","18.5354","0.0006","18.5354","0.0006","23.1861","0.0012","90","","90","","120","","6898.6","0.5","170","2","170","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C H Cd Cl Mo N O P -","- C0.923077 H2.30769 Mo1.84615 N1.84615 O6.15385 P0.153846 -","- C36 H90 Mo72 N72 O240 P6 -","39","2.16667","","Wang, Jihua; Li, Hui; Gong, Lige; Dong, Limin; Gu, Yunhao; Wang, Meijia; Yang, BingHe","Pyridine polymer tubular structures connected with polyoxometalates as bifunctional electrocatalysts for water splitting.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3456","3466","10.1039/d4dt02612h","","","0.71073","MoKα","","0.0928","0.0772","","","0.2271","0.2387","","","","","","1.15","","","","has coordinates","298252","2025-03-04","20:10:18",""
"7717750","19.0514","0.0006","19.0514","0.0006","10.3639","0.0003","90","","90","","120","","3257.67","0.17","150","2","150","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C H Cd Cl Co Mo N O P -","- C0.642857 Mo0.857143 N1.71429 O3.14286 P0.0714286 -","- C27 Mo36 N72 O132 P3 -","42","2.33333","","Wang, Jihua; Li, Hui; Gong, Lige; Dong, Limin; Gu, Yunhao; Wang, Meijia; Yang, BingHe","Pyridine polymer tubular structures connected with polyoxometalates as bifunctional electrocatalysts for water splitting.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3456","3466","10.1039/d4dt02612h","","","0.71073","MoKα","","0.0517","0.0496","","","0.1225","0.1239","","","","","","1.141","","","","has coordinates","298252","2025-03-04","20:10:18",""
"7717751","16.18","0.0006","20.4217","0.0007","28.1422","0.001","90","","90","","90","","9298.8","0.6","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H42 B2 F8 Fe N8 O7 -","- C49 H42 B2 F8 Fe N8 O7 -","- C392 H336 B16 F64 Fe8 N64 O56 -","8","1","","Chen, Du-Yong; Yi, Cheng; Li, Xin-Feng; Zhou, Ren-He; Zhang, Li-Yan; Cai, Rui; Meng, Yin-Shan; Liu, Tao","A mononuclear iron(II) complex constructed using a complementary ligand pair exhibits intrinsic luminescence-spin-crossover coupling.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2908","2915","10.1039/d4dt03177f","","","0.71073","MoKα","","0.0458","0.0356","","","0.0833","0.0897","","","","","","1.023","","","","has coordinates","298914","2025-04-05","03:14:11",""
"7717752","16.1807","0.0009","20.8095","0.0012","28.5096","0.0018","90","","90","","90","","9599.5","1","299.6","","299.6","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H42 B2 F8 Fe N8 O7 -","- C49 H42 B2 F8 Fe N8 O7 -","- C392 H336 B16 F64 Fe8 N64 O56 -","8","1","","Chen, Du-Yong; Yi, Cheng; Li, Xin-Feng; Zhou, Ren-He; Zhang, Li-Yan; Cai, Rui; Meng, Yin-Shan; Liu, Tao","A mononuclear iron(II) complex constructed using a complementary ligand pair exhibits intrinsic luminescence-spin-crossover coupling.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2908","2915","10.1039/d4dt03177f","","","0.71073","MoKα","","0.0753","0.0468","","","0.1141","0.1319","","","","","","1.013","","","","has coordinates","298914","2025-04-05","03:14:21",""
"7717753","16.1487","0.0013","20.9213","0.0015","28.5186","0.0019","90","","90","","90","","9635.1","1.2","299.5","","299.5","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H42 B2 F8 N8 O7 Zn -","- C49 H42 B2 F8 N8 O7 Zn -","- C392 H336 B16 F64 N64 O56 Zn8 -","8","1","","Chen, Du-Yong; Yi, Cheng; Li, Xin-Feng; Zhou, Ren-He; Zhang, Li-Yan; Cai, Rui; Meng, Yin-Shan; Liu, Tao","A mononuclear iron(II) complex constructed using a complementary ligand pair exhibits intrinsic luminescence-spin-crossover coupling.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2908","2915","10.1039/d4dt03177f","","","0.71073","MoKα","","0.0918","0.0489","","","0.1179","0.1414","","","","","","1.017","","","","has coordinates","298914","2025-04-05","03:14:21",""
"7717754","16.209","0.003","20.762","0.005","28.579","0.006","90","","90","","90","","9618","4","299.7","","299.7","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H42 B2 Co F8 N8 O7 -","- C49 H42 B2 Co F8 N8 O7 -","- C392 H336 B16 Co8 F64 N64 O56 -","8","1","","Chen, Du-Yong; Yi, Cheng; Li, Xin-Feng; Zhou, Ren-He; Zhang, Li-Yan; Cai, Rui; Meng, Yin-Shan; Liu, Tao","A mononuclear iron(II) complex constructed using a complementary ligand pair exhibits intrinsic luminescence-spin-crossover coupling.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2908","2915","10.1039/d4dt03177f","","","0.71073","MoKα","","0.0582","0.0441","","","0.1271","0.1441","","","","","","1.074","","","","has coordinates","298914","2025-04-05","03:14:21",""
"7717755","9.973","0.0003","22.1902","0.0007","22.4709","0.0007","90","","97.363","0.001","90","","4931.9","0.3","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H59 B N O P3 Ru -","- C56 H59 B N O P3 Ru -","- C224 H236 B4 N4 O4 P12 Ru4 -","4","1","","Halder, Mita; Castillo Cardenas, Diana; Chartouni, Angela M.; Culver, Damien B.","Catalysis activity and chemoselectivity control with the <i>trans</i> ligand in Ru-H pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2851","2859","10.1039/d4dt03491k","","x-ray","0.71073","MoKα","","0.0459","0.0367","","","0.0946","0.1023","","","","","","1.04","","","","has coordinates","298906","2025-04-05","03:08:53",""
"7717756","13.1411","0.0005","12.9946","0.0005","29.4189","0.0011","90","","90.258","0.001","90","","5023.6","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H56 B N2 O P2 Ru -","- C61 H56 B N2 O P2 Ru -","- C244 H224 B4 N8 O4 P8 Ru4 -","4","1","","Halder, Mita; Castillo Cardenas, Diana; Chartouni, Angela M.; Culver, Damien B.","Catalysis activity and chemoselectivity control with the <i>trans</i> ligand in Ru-H pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2851","2859","10.1039/d4dt03491k","","x-ray","0.71073","MoKα","","0.0515","0.0395","","","0.0896","0.0979","","","","","","1.038","","","","has coordinates","298906","2025-04-05","03:08:54",""
"7717757","12.7846","0.0008","13.8907","0.0011","17.4106","0.0013","101.625","0.003","105.684","0.002","94.257","0.003","2888.4","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H75 B N2 O3 P2 Ru -","- C66 H75 B N2 O3 P2 Ru -","- C132 H150 B2 N4 O6 P4 Ru2 -","2","1","","Halder, Mita; Castillo Cardenas, Diana; Chartouni, Angela M.; Culver, Damien B.","Catalysis activity and chemoselectivity control with the <i>trans</i> ligand in Ru-H pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2851","2859","10.1039/d4dt03491k","","x-ray","0.71073","MoKα","","0.077","0.0565","","","0.1399","0.1542","","","","","","1.031","","","","has coordinates","298906","2025-04-05","03:08:54",""
"7717758","11.4158","0.0005","34.6443","0.0015","12.7068","0.0005","90","","99.007","0.001","90","","4963.5","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H58 B N3 O P2 Ru -","- C58 H58 B N3 O P2 Ru -","- C232 H232 B4 N12 O4 P8 Ru4 -","4","1","","Halder, Mita; Castillo Cardenas, Diana; Chartouni, Angela M.; Culver, Damien B.","Catalysis activity and chemoselectivity control with the <i>trans</i> ligand in Ru-H pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2851","2859","10.1039/d4dt03491k","","x-ray","0.71073","MoKα","","0.0698","0.045","","","0.0951","0.1082","","","","","","1.044","","","","has coordinates","298906","2025-04-05","03:08:54",""
"7717759","12.505","0.004","20.229","0.009","9.279","0.004","90","","90","","90","","2347.2","1.6","296.15","","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H8 N2 O4 Zn -","- C12 H8 N2 O4 Zn -","- C96 H64 N16 O32 Zn8 -","8","0.5","","Gou, Jie; Yang, Can; Wang, YunJie; Zhu, Yaolong; Zhu, Qingwen; Su, Xin; Wu, Qi","Enhanced second harmonic generation in a <i>Fdd</i>2 polymorph of C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>O<sub>4</sub>Zn for UV nonlinear optical applications.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2916","2921","10.1039/d4dt03179b","","","0.71073","MoKα","","0.0559","0.044","","","0.0892","0.0928","","","","","","1.116","","","","has coordinates","298911","2025-04-05","03:10:20",""
"7717760","12.048","0.0016","12.048","0.002","6.8165","0.0011","90","","90","","90","","989.4","0.3","","","","","","","","","","","","6","P 42 n m","P 4n -2n","102","","","","- Al2 B8 Ba4 Cl3 Na O18 -","- Al2 B8 Ba4 Cl3 Na O18 -","- Al4 B16 Ba8 Cl6 Na2 O36 -","2","0.25","","Pan, Boyu; Wang, Yao; Xu, Bing; Wang, Kangkang; Zhang, Liang; He, Zhixian; Zhang, Shengnan","A narrow band blue phosphor NaBa<sub>4</sub>Al<sub>2</sub>B<sub>8</sub>O<sub>18</sub>Cl<sub>3</sub>:Eu<sup>2+</sup> for white light emitting diodes.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2561","2573","10.1039/d4dt02858a","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","298900","2025-04-05","03:01:55",""
"7717761","13.1915","0.0012","25.052","0.002","14.824","0.0013","90","","113.853","0.002","90","","4480.5","0.7","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cadmium-Organic Compound","","","- C46 H27 Cd1.5 F12 N2 O8 -","- C46 H27 Cd1.5 F12 N2 O8 -","- C184 H108 Cd6 F48 N8 O32 -","4","1","","Das, Chhatan; Misra, Arunava; Mondal, Mohabul Alam; Mahata, Partha","A Cd-based crystalline network material: catalytic properties and post-synthetic metal-ion metathesis with enhanced stability and gas sorption behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3235","3245","10.1039/d4dt03287j","","","0.71073","MoKα","","0.035","0.0269","","","0.0659","0.0728","","","","","","1.06","","","","has coordinates","298264","2025-03-04","20:16:05",""
"7717762","14.5944","0.0005","9.4697","0.0002","17.1687","0.0005","90","","111.882","0.004","90","","2201.84","0.13","200","","200","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H52 Cl2 F6 N2 O18 -","- C34 H52 Cl2 F6 N2 O18 -","- C68 H104 Cl4 F12 N4 O36 -","2","1","","Liu, Feiyan; Chen, Guoyong; Liu, Xiao; Jiang, Ting; Guo, Wenjing; Li, Xiancai; Wei, Zhenhong","Anionic modulation induces molecular polarity in a three-component crown ether system.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2793","2798","10.1039/d4dt03466j","","","0.71073","MoKα","","0.0683","0.0546","","","0.1581","0.1684","","","","","","1.085","","","","has coordinates","298905","2025-04-05","03:08:40",""
"7717763","14.912","0.0011","9.679","0.0005","16.9652","0.0012","90","","111.895","0.009","90","","2272","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 Cl F3 N O9 -","- C17 H27 Cl F3 N O9 -","- C68 H108 Cl4 F12 N4 O36 -","4","1","","Liu, Feiyan; Chen, Guoyong; Liu, Xiao; Jiang, Ting; Guo, Wenjing; Li, Xiancai; Wei, Zhenhong","Anionic modulation induces molecular polarity in a three-component crown ether system.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2793","2798","10.1039/d4dt03466j","","","0.71073","MoKα","","0.2612","0.1972","","","0.499","0.5429","","","","","","1.924","","","","has coordinates,has disorder","298905","2025-04-05","03:08:40",""
"7717764","10.5818","0.0004","15.9181","0.0006","13.8015","0.0005","90","","93.642","0.003","90","","2320.06","0.15","200","2","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 F9 N O5 P -","- C17 H27 F9 N O5 P -","- C68 H108 F36 N4 O20 P4 -","4","1","","Liu, Feiyan; Chen, Guoyong; Liu, Xiao; Jiang, Ting; Guo, Wenjing; Li, Xiancai; Wei, Zhenhong","Anionic modulation induces molecular polarity in a three-component crown ether system.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2793","2798","10.1039/d4dt03466j","","","0.71073","MoKα","","0.1027","0.0724","","","0.1939","0.2116","","","","","","1.071","","","","has coordinates,has disorder","298905","2025-04-05","03:08:40",""
"7717765","11.8765","0.0004","11.6572","0.0003","20.7114","0.0007","90","","97.282","0.003","90","","2844.3","0.16","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H31 Cl5 N3 P Ru -","- C24 H31 Cl5 N3 P Ru -","- C96 H124 Cl20 N12 P4 Ru4 -","4","1","","Wang, Tao; Li, Bin; Zhang, Yu; Xu, Shuting; Wang, Jun; Zheng, Jianwei; Li, Hao; Zhang, Fengjun; Fang, Xiaolong","Ambient-pressure selective hydrogenation of unsaturated aldehydes and ketones into unsaturated alcohols in the water phase.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1791","1796","10.1039/d4dt03338h","","","0.71073","MoKα","","0.037","0.0312","","","0.0742","0.0778","","","","","","1.034","","","","has coordinates","298269","2025-03-04","20:18:49",""
"7717766","11.2337","0.0017","11.6564","0.0017","11.8853","0.0015","88.336","0.011","89.35","0.012","76.815","0.013","1514.6","0.4","125","30","125","30","","","","","","","","7","P -1","-P 1","2","","","","- C54 H76 Cl4 N6 O P2 Ru2 -","- C54 H76 Cl4 N6 O P2 Ru2 -","- C54 H76 Cl4 N6 O P2 Ru2 -","1","0.5","","Wang, Tao; Li, Bin; Zhang, Yu; Xu, Shuting; Wang, Jun; Zheng, Jianwei; Li, Hao; Zhang, Fengjun; Fang, Xiaolong","Ambient-pressure selective hydrogenation of unsaturated aldehydes and ketones into unsaturated alcohols in the water phase.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1791","1796","10.1039/d4dt03338h","","x-ray","1.54184","CuKα","","0.1771","0.1251","","","0.2891","0.3539","","","","","","0.979","","","","has coordinates,has disorder","298269","2025-03-04","20:18:50",""
"7717767","12.2517","0.001","15.2233","0.0012","19.439","0.0014","73.615","0.007","79.904","0.007","68.63","0.007","3228.5","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C66 H88 Cl4 N6 P2 Ru2 -","- C66 H88 Cl4 N6 P2 Ru2 -","- C132 H176 Cl8 N12 P4 Ru4 -","2","1","","Wang, Tao; Li, Bin; Zhang, Yu; Xu, Shuting; Wang, Jun; Zheng, Jianwei; Li, Hao; Zhang, Fengjun; Fang, Xiaolong","Ambient-pressure selective hydrogenation of unsaturated aldehydes and ketones into unsaturated alcohols in the water phase.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1791","1796","10.1039/d4dt03338h","","","1.54178","CuKα","","0.0718","0.0453","","","0.0981","0.1107","","","","","","1.014","","","","has coordinates,has disorder","298269","2025-03-04","20:18:50",""
"7717768","4.86772","0.0001","13.6394","0.0002","22.0354","0.0004","90","","90","","90","","1462.99","0.05","149.98","0.16","149.98","0.16","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Jana, Narayan Ch; Escuer, Albert; Brandão, Paula; Panja, Anangamohan","Exploring structural, magnetic, and catalytic diversity in tetranuclear {Cu<sub>4</sub>O<sub>4</sub>} cubane cores and a dinuclear complex derived from closely related ligand systems.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3000","3012","10.1039/d4dt03283g","","x-ray","1.54184","CuKα","","0.0393","0.0364","","","0.0953","0.0974","","","","","","1.067","","","","has coordinates","298910","2025-04-05","03:10:03",""
"7717769","15.2634","0.0009","15.2634","0.0009","11.3683","0.0011","90","","90","","90","","2648.5","0.3","150","2","150","","","","","","","","","5","I -4","I -4","82","","","","- C52 H68 Cu4 N4 O12 -","- C52 H68 Cu4 N4 O12 -","- C104 H136 Cu8 N8 O24 -","2","0.25","","Jana, Narayan Ch; Escuer, Albert; Brandão, Paula; Panja, Anangamohan","Exploring structural, magnetic, and catalytic diversity in tetranuclear {Cu<sub>4</sub>O<sub>4</sub>} cubane cores and a dinuclear complex derived from closely related ligand systems.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3000","3012","10.1039/d4dt03283g","","","0.71073","MoKα","","0.0163","0.0156","","","0.0428","0.0432","","","","","","1.065","","","","has coordinates","298910","2025-04-05","03:10:03",""
"7717770","8.8951","0.0001","12.8395","0.0002","10.8447","0.0002","90","","107.378","0.001","90","","1182.02","0.03","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Cu N O3 -","- C12 H15 Cu N O3 -","- C48 H60 Cu4 N4 O12 -","4","1","","Jana, Narayan Ch; Escuer, Albert; Brandão, Paula; Panja, Anangamohan","Exploring structural, magnetic, and catalytic diversity in tetranuclear {Cu<sub>4</sub>O<sub>4</sub>} cubane cores and a dinuclear complex derived from closely related ligand systems.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3000","3012","10.1039/d4dt03283g","","","0.71073","MoKα","","0.0222","0.0203","","","0.0531","0.0541","","","","","","1.045","","","","has coordinates","298910","2025-04-05","03:10:03",""
"7717771","11.9803","0.0008","25.4313","0.0017","18.5445","0.0013","90","","98.038","0.002","90","","5594.5","0.7","150","2","149.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H66 Cl Cu4 N5 O21 -","- C44 H66 Cl Cu4 N5 O21 -","- C176 H264 Cl4 Cu16 N20 O84 -","4","1","","Jana, Narayan Ch; Escuer, Albert; Brandão, Paula; Panja, Anangamohan","Exploring structural, magnetic, and catalytic diversity in tetranuclear {Cu<sub>4</sub>O<sub>4</sub>} cubane cores and a dinuclear complex derived from closely related ligand systems.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3000","3012","10.1039/d4dt03283g","","","0.71073","MoKα","","0.0693","0.0489","","","0.1344","0.1482","","","","","","1.021","","","","has coordinates","298910","2025-04-05","03:10:03",""
"7717772","36.4484","0.0007","23.738","0.0004","14.043","0.0003","90","","90","","90","","12150.2","0.4","100","0.1","100.15","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C64 H59 Cu4 N8 O13.5 -","- C64 H59 Cu4 N8 O13.5 -","- C512 H472 Cu32 N64 O108 -","8","1","","Jana, Narayan Ch; Escuer, Albert; Brandão, Paula; Panja, Anangamohan","Exploring structural, magnetic, and catalytic diversity in tetranuclear {Cu<sub>4</sub>O<sub>4</sub>} cubane cores and a dinuclear complex derived from closely related ligand systems.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3000","3012","10.1039/d4dt03283g","","","0.71073","MoKα","","0.0602","0.0478","","","0.1045","0.1111","","","","","","1.035","","","","has coordinates,has disorder","298910","2025-04-05","03:10:03",""
"7717773","13.61346","0.00007","19.90355","0.0001","16.9694","0.00008","90","","101.848","0.0005","90","","4500.01","0.04","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H35 F6 Mo N5 O2 P2 -","- C51 H35 F6 Mo N5 O2 P2 -","- C204 H140 F24 Mo4 N20 O8 P8 -","4","1","","Estival, Arno; Blancarte, Luis E.; Pinto, Loïc; Pointis, Romane; Galas, Nathan; Sournia-Saquet, Alix; Vendier, Laure; Santillan, Rosa; Farfán, Norberto; Sortais, Jean-Baptiste; Grellier, Mary; Simonneau, Antoine","Synthesis and characterization of heptacoordinated molybdenum(II) complexes supported with 2,6-bis(pyrazol-3-yl)pyridine (bpp) ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2860","2870","10.1039/d4dt03264k","","x-ray","1.54184","CuKα","","0.0425","0.0413","","0.1183","0.1173","0.1183","","","","","","0.9877","","","","has coordinates","298903","2025-04-05","03:06:53",""
"7717774","22.4003","0.0007","10.8477","0.0005","23.697","0.001","90","","95.741","0.003","90","","5729.3","0.4","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H51 F6 Mo N5 O8 P2 S2 -","- C49 H51 F6 Mo N5 O8 P2 S2 -","- C196 H204 F24 Mo4 N20 O32 P8 S8 -","4","0.5","","Estival, Arno; Blancarte, Luis E.; Pinto, Loïc; Pointis, Romane; Galas, Nathan; Sournia-Saquet, Alix; Vendier, Laure; Santillan, Rosa; Farfán, Norberto; Sortais, Jean-Baptiste; Grellier, Mary; Simonneau, Antoine","Synthesis and characterization of heptacoordinated molybdenum(II) complexes supported with 2,6-bis(pyrazol-3-yl)pyridine (bpp) ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2860","2870","10.1039/d4dt03264k","","x-ray","1.54184","CuKα","","0.108","0.1006","","0.3045","0.2946","0.3041","","","","","","1.3815","","","","has coordinates","298903","2025-04-05","03:06:57",""
"7717775","13.8694","0.0002","17.503","0.0002","16.2883","0.0002","90","","103.927","0.001","90","","3837.85","0.09","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H31 F6 Mo N5 O2 P2 -","- C41 H31 F6 Mo N5 O2 P2 -","- C164 H124 F24 Mo4 N20 O8 P8 -","4","1","","Estival, Arno; Blancarte, Luis E.; Pinto, Loïc; Pointis, Romane; Galas, Nathan; Sournia-Saquet, Alix; Vendier, Laure; Santillan, Rosa; Farfán, Norberto; Sortais, Jean-Baptiste; Grellier, Mary; Simonneau, Antoine","Synthesis and characterization of heptacoordinated molybdenum(II) complexes supported with 2,6-bis(pyrazol-3-yl)pyridine (bpp) ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2860","2870","10.1039/d4dt03264k","","x-ray","1.54184","CuKα","","0.0377","0.0349","","","0.0908","0.0925","","","","","","1.027","","","","has coordinates","298903","2025-04-05","03:06:57",""
"7717776","11.4341","0.0009","14.8708","0.0005","21.814","0.0004","90.044","0.002","102.445","0.005","92.558","0.006","3618.2","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H45 Mo N5 O2 P2 -","- C37 H45 Mo N5 O2 P2 -","- C148 H180 Mo4 N20 O8 P8 -","4","2","","Estival, Arno; Blancarte, Luis E.; Pinto, Loïc; Pointis, Romane; Galas, Nathan; Sournia-Saquet, Alix; Vendier, Laure; Santillan, Rosa; Farfán, Norberto; Sortais, Jean-Baptiste; Grellier, Mary; Simonneau, Antoine","Synthesis and characterization of heptacoordinated molybdenum(II) complexes supported with 2,6-bis(pyrazol-3-yl)pyridine (bpp) ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2860","2870","10.1039/d4dt03264k","","x-ray","1.54184","CuKα","","0.1378","0.1057","","0.3126","0.281","0.3126","","","","","","0.7807","","","","has coordinates","298903","2025-04-05","03:06:57",""
"7717777","12.7581","0.0001","22.8235","0.0002","29.3695","0.0002","90","","90","","90","","8551.94","0.12","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H49 Mo N5 O2 P2 -","- C47 H49 Mo N5 O2 P2 -","- C376 H392 Mo8 N40 O16 P16 -","8","1","","Estival, Arno; Blancarte, Luis E.; Pinto, Loïc; Pointis, Romane; Galas, Nathan; Sournia-Saquet, Alix; Vendier, Laure; Santillan, Rosa; Farfán, Norberto; Sortais, Jean-Baptiste; Grellier, Mary; Simonneau, Antoine","Synthesis and characterization of heptacoordinated molybdenum(II) complexes supported with 2,6-bis(pyrazol-3-yl)pyridine (bpp) ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2860","2870","10.1039/d4dt03264k","","x-ray","1.54184","CuKα","","0.0289","0.0279","","","0.0766","0.0772","","","","","","1.082","","","","has coordinates","298903","2025-04-05","03:06:57",""
"7717778","18.2731","0.00011","10.97842","0.00008","18.42521","0.00012","90","","92.3005","0.0006","90","","3693.3","0.04","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 F6 Mo N5 O3 P2 -","- C35 H35 F6 Mo N5 O3 P2 -","- C140 H140 F24 Mo4 N20 O12 P8 -","4","1","","Estival, Arno; Blancarte, Luis E.; Pinto, Loïc; Pointis, Romane; Galas, Nathan; Sournia-Saquet, Alix; Vendier, Laure; Santillan, Rosa; Farfán, Norberto; Sortais, Jean-Baptiste; Grellier, Mary; Simonneau, Antoine","Synthesis and characterization of heptacoordinated molybdenum(II) complexes supported with 2,6-bis(pyrazol-3-yl)pyridine (bpp) ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2860","2870","10.1039/d4dt03264k","","x-ray","1.54184","CuKα","","0.0441","0.0411","","0.1201","0.1174","0.1201","","","","","","0.9484","","","","has coordinates","298903","2025-04-05","03:06:57",""
"7717779","23.971","0.005","7.2177","0.0014","23.134","0.004","90","","90","","90","","4002.5","1.3","100","2","100.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H42 N4 O10 P2 Pt -","- C44 H42 N4 O10 P2 Pt -","- C176 H168 N16 O40 P8 Pt4 -","4","1","","Volostnykh, Marina V.; Kirakosyan, Gayane A.; Sinelshchikova, Anna A.; Ermakova, Elizaveta V.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu; Borisov, Sergey M.; Meyer, Michel; Khrouz, Lhoussain; Monnereau, Cyrille; Parola, Stephane; Bessmertnykh-Lemeune, Alla","Water-soluble platinum and palladium porphyrins with peripheral ethyl phosphonic acid substituents: synthesis, aggregation in solution, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2340","2356","10.1039/d4dt03068k","","","0.71073","MoKα","","0.0672","0.0315","","","0.0599","0.0697","","","","","","1.002","","","","has coordinates","298890","2025-04-05","02:58:56",""
"7717780","23.94","0.003","7.2579","0.0009","23.162","0.003","90","","90","","90","","4024.5","0.9","100","2","100.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H42 N4 O10 P2 Pd -","- C44 H42 N4 O10 P2 Pd -","- C176 H168 N16 O40 P8 Pd4 -","4","1","","Volostnykh, Marina V.; Kirakosyan, Gayane A.; Sinelshchikova, Anna A.; Ermakova, Elizaveta V.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu; Borisov, Sergey M.; Meyer, Michel; Khrouz, Lhoussain; Monnereau, Cyrille; Parola, Stephane; Bessmertnykh-Lemeune, Alla","Water-soluble platinum and palladium porphyrins with peripheral ethyl phosphonic acid substituents: synthesis, aggregation in solution, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2340","2356","10.1039/d4dt03068k","","","0.71073","MoKα","","0.0337","0.0271","","","0.0601","0.0629","","","","","","1.015","","","","has coordinates","298890","2025-04-05","02:59:07",""
"7717781","8.5389","0.0004","16.5984","0.0008","17.4856","0.0011","90","","101.446","0.005","90","","2429","0.2","180","","180","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 Ag2 N12 O10 S4 -","- C36 H54 Ag2 N12 O10 S4 -","- C72 H108 Ag4 N24 O20 S8 -","2","0.5","","Holzhauer, Laura; Shekhovtsev, Vitalii; Bruschi, Cecilia; Gunther, Mathis; Fuhr, Olaf; Hodapp, Patrick; Bizzarri, Claudia; Wenzel, Wolfgang; Jung, Nicole; Bräse, Stefan","Identification of novel triazolylquinoxaline-based metal complexes supported by experimental and virtual screenings.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3287","3295","10.1039/d4dt02068e","","x-ray","0.71073","MoKα","","0.0774","0.0515","","","0.1338","0.1462","","","","","","0.975","","","","has coordinates,has disorder","298256","2025-03-04","20:13:33",""
"7717782","5.4429","0.0003","21.2456","0.001","11.2685","0.0007","90","","98.063","0.005","90","","1290.18","0.12","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N5 -","- C16 H11 N5 -","- C64 H44 N20 -","4","1","","Holzhauer, Laura; Shekhovtsev, Vitalii; Bruschi, Cecilia; Gunther, Mathis; Fuhr, Olaf; Hodapp, Patrick; Bizzarri, Claudia; Wenzel, Wolfgang; Jung, Nicole; Bräse, Stefan","Identification of novel triazolylquinoxaline-based metal complexes supported by experimental and virtual screenings.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3287","3295","10.1039/d4dt02068e","","x-ray","1.34143","GaKα","","0.0506","0.0356","","","0.0966","0.1017","","","","","","1.038","","","","has coordinates","298256","2025-03-04","20:13:34",""
"7717783","12.3988","0.0003","14.5898","0.0006","16.7999","0.0004","72.199","0.003","75.098","0.002","75.758","0.003","2749.55","0.16","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C56 H48 B Cl4 Cu F4 N6 O P2 -","- C56 H48 B Cl4 Cu F4 N6 O P2 -","- C112 H96 B2 Cl8 Cu2 F8 N12 O2 P4 -","2","1","","Holzhauer, Laura; Shekhovtsev, Vitalii; Bruschi, Cecilia; Gunther, Mathis; Fuhr, Olaf; Hodapp, Patrick; Bizzarri, Claudia; Wenzel, Wolfgang; Jung, Nicole; Bräse, Stefan","Identification of novel triazolylquinoxaline-based metal complexes supported by experimental and virtual screenings.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3287","3295","10.1039/d4dt02068e","","x-ray","1.34143","GaKα","","0.0891","0.0668","","","0.1895","0.2053","","","","","","1.067","","","","has coordinates","298256","2025-03-04","20:13:34",""
"7717784","17.1275","0.0006","17.6273","0.0006","17.8232","0.0006","74.996","0.003","75.943","0.003","88.725","0.003","5037.2","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C55.5 H47 B Cu F4 N5 O2 P2 -","- C55.5 H47 B Cu F4 N5 O2 P2 -","- C222 H188 B4 Cu4 F16 N20 O8 P8 -","4","2","","Holzhauer, Laura; Shekhovtsev, Vitalii; Bruschi, Cecilia; Gunther, Mathis; Fuhr, Olaf; Hodapp, Patrick; Bizzarri, Claudia; Wenzel, Wolfgang; Jung, Nicole; Bräse, Stefan","Identification of novel triazolylquinoxaline-based metal complexes supported by experimental and virtual screenings.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3287","3295","10.1039/d4dt02068e","","x-ray","1.34143","GaKα","","0.11","0.0569","","","0.1405","0.1622","","","","","","0.944","","","","has coordinates","298256","2025-03-04","20:13:34",""
"7717785","8.3127","0.0003","13.6658","0.0006","15.9117","0.0004","90","","92.161","0.003","90","","1806.28","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Au Br3 N5 -","- C14 H15 Au Br3 N5 -","- C56 H60 Au4 Br12 N20 -","4","1","","Holzhauer, Laura; Shekhovtsev, Vitalii; Bruschi, Cecilia; Gunther, Mathis; Fuhr, Olaf; Hodapp, Patrick; Bizzarri, Claudia; Wenzel, Wolfgang; Jung, Nicole; Bräse, Stefan","Identification of novel triazolylquinoxaline-based metal complexes supported by experimental and virtual screenings.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3287","3295","10.1039/d4dt02068e","","x-ray","1.34143","GaKα","","0.021","0.0206","","","0.0487","0.0489","","","","","","1.172","","","","has coordinates","298256","2025-03-04","20:13:34",""
"7717786","6.9838","0.0002","33.6722","0.001","11.4147","0.0003","90","","96.887","0.002","90","","2664.91","0.13","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N5 -","- C14 H15 N5 -","- C112 H120 N40 -","8","2","","Holzhauer, Laura; Shekhovtsev, Vitalii; Bruschi, Cecilia; Gunther, Mathis; Fuhr, Olaf; Hodapp, Patrick; Bizzarri, Claudia; Wenzel, Wolfgang; Jung, Nicole; Bräse, Stefan","Identification of novel triazolylquinoxaline-based metal complexes supported by experimental and virtual screenings.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3287","3295","10.1039/d4dt02068e","","x-ray","1.34143","GaKα","","0.0418","0.0348","","","0.0958","0.0988","","","","","","1.066","","","","has coordinates","298256","2025-03-04","20:13:34",""
"7717787","14.1441","0.0004","15.5702","0.0004","15.1099","0.0004","90","","111.231","0.002","90","","3101.75","0.15","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Ag F3 N10 O3 S -","- C29 H30 Ag F3 N10 O3 S -","- C116 H120 Ag4 F12 N40 O12 S4 -","4","1","","Holzhauer, Laura; Shekhovtsev, Vitalii; Bruschi, Cecilia; Gunther, Mathis; Fuhr, Olaf; Hodapp, Patrick; Bizzarri, Claudia; Wenzel, Wolfgang; Jung, Nicole; Bräse, Stefan","Identification of novel triazolylquinoxaline-based metal complexes supported by experimental and virtual screenings.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3287","3295","10.1039/d4dt02068e","","x-ray","1.34143","GaKα","","0.0302","0.0285","","","0.0735","0.0745","","","","","","1.071","","","","has coordinates","298256","2025-03-04","20:13:34",""
"7717788","12.1631","0.0005","14.7155","0.0005","16.7678","0.0006","77.662","0.003","78.968","0.003","78.15","0.003","2835.06","0.19","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C62 H63 B Cu F4 N5 O P2 -","- C62 H63 B Cu F4 N5 O P2 -","- C124 H126 B2 Cu2 F8 N10 O2 P4 -","2","1","","Holzhauer, Laura; Shekhovtsev, Vitalii; Bruschi, Cecilia; Gunther, Mathis; Fuhr, Olaf; Hodapp, Patrick; Bizzarri, Claudia; Wenzel, Wolfgang; Jung, Nicole; Bräse, Stefan","Identification of novel triazolylquinoxaline-based metal complexes supported by experimental and virtual screenings.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3287","3295","10.1039/d4dt02068e","","x-ray","1.34143","GaKα","","0.0875","0.0505","","","0.1257","0.1386","","","","","","0.96","","","","has coordinates,has disorder","298256","2025-03-04","20:13:34",""
"7717789","9.0588","0.0003","22.4503","0.0005","23.1808","0.0007","90","","94.469","0.003","90","","4700","0.2","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C53 H47 Ag B F4 N5 O P2 -","- C53 H47 Ag B F4 N5 O P2 -","- C212 H188 Ag4 B4 F16 N20 O4 P8 -","4","1","","Holzhauer, Laura; Shekhovtsev, Vitalii; Bruschi, Cecilia; Gunther, Mathis; Fuhr, Olaf; Hodapp, Patrick; Bizzarri, Claudia; Wenzel, Wolfgang; Jung, Nicole; Bräse, Stefan","Identification of novel triazolylquinoxaline-based metal complexes supported by experimental and virtual screenings.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3287","3295","10.1039/d4dt02068e","","x-ray","1.34143","GaKα","","0.0264","0.0247","","","0.0698","0.0706","","","","","","1.054","","","","has coordinates","298256","2025-03-04","20:13:34",""
"7717790","14.0114","0.0006","20.1875","0.0008","15.1534","0.0006","90","","114.972","0.003","90","","3885.5","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45.5 H40 Bi Cl3 N2 -","- C45.5 H40 Bi Cl3 N2 -","- C182 H160 Bi4 Cl12 N8 -","4","1","","Geppert, Marcel; Müller, Michelle; Linseis, Michael; Winter, Rainer F.","Room-temperature phosphorescence and static excimer excitation of pyrene-modified (<i>NCN</i>) pincer bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1779","1783","10.1039/d4dt03304c","","x-ray","0.71073","MoKα","","0.1136","0.0815","","","0.1939","0.2091","","","","","","1.205","","","","has coordinates,has disorder","298273","2025-03-04","20:19:50",""
"7717791","8.0167","0.0003","13.3464","0.0005","15.4903","0.0006","113.09","0.003","92.143","0.003","98.505","0.003","1499.52","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H43 Bi Cl2 N2 -","- C31 H43 Bi Cl2 N2 -","- C62 H86 Bi2 Cl4 N4 -","2","1","","Geppert, Marcel; Müller, Michelle; Linseis, Michael; Winter, Rainer F.","Room-temperature phosphorescence and static excimer excitation of pyrene-modified (<i>NCN</i>) pincer bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1779","1783","10.1039/d4dt03304c","","x-ray","0.71073","MoKα","","0.0827","0.0558","","","0.1191","0.1456","","","","","","1.14","","","","has coordinates","298273","2025-03-04","20:19:51",""
"7717792","14.8016","0.0011","14.8762","0.0011","19.8231","0.0014","84.61","0.003","68.229","0.002","60.173","0.002","3494.3","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H106 Al2 N4 O6 -","- C74 H106 Al2 N4 O6 -","- C148 H212 Al4 N8 O12 -","2","1","","Kanhanond, Narongchai; Chumsaeng, Phongnarin; Namuangruk, Supawadee; Phomphrai, Khamphee","Bimetallic constrained aluminum alkoxide complexes for ring-opening polymerization of cyclic esters: activity enhancement <i>via</i> cationic activation.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3246","3255","10.1039/d4dt02849j","","","1.54178","CuKα","","0.0656","0.0603","","","0.1618","0.1666","","","","","","1.06","","","","has coordinates,has disorder","298258","2025-03-04","20:14:06",""
"7717793","19.4309","0.0012","16.4681","0.001","25.6504","0.0016","90","","97.101","0.003","90","","8144.9","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H92 Al2 Cl2 N4 O4 -","- C68 H92 Al2 Cl2 N4 O4 -","- C272 H368 Al8 Cl8 N16 O16 -","4","1","","Kanhanond, Narongchai; Chumsaeng, Phongnarin; Namuangruk, Supawadee; Phomphrai, Khamphee","Bimetallic constrained aluminum alkoxide complexes for ring-opening polymerization of cyclic esters: activity enhancement <i>via</i> cationic activation.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3246","3255","10.1039/d4dt02849j","","","1.54178","CuKα","","0.0813","0.0642","","","0.1355","0.1526","","","","","","1.083","","","","has coordinates","298258","2025-03-04","20:14:06",""
"7717794","31.09","0.006","10.23","0.002","16.13","0.003","90","","100.29","0.03","90","","5047.6","1.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 Co3 N12 O14 -","- C42 H46 Co3 N12 O14 -","- C168 H184 Co12 N48 O56 -","4","0.5","","Velazquez Garcia, Jose de Jesus; de Los Santos Valladares, Luis; Barnes, Crispin H. W.; König, Sandra; Fröba, Michael; Baran, Volodymyr; Knjo, Bassima; Khademhir, Faegheh; Ekineken, Aliyenur; Hain, Fabienne; Carstensen, Evke; Spillner, Tom; Asprilla Herrera, Lina; Łukaszczyk, Weronika; Techert, Simone","Neutral and ionic Co(II) metal-organic frameworks with 2-methylimidazole and trimesate: design and evaluation for molecule encapsulation and slow release.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4449","4460","10.1039/d4dt02679a","","","0.61991","synchrotron","","0.06","0.0525","","","0.1448","0.1516","","","","","","1.04","","","","has coordinates","300971","2025-07-06","17:07:08",""
"7717795","17.06","0.002","17.06","0.002","32.36","0.007","90","","90","","90","","9418","3","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C13 H9 Co N2 O6 -","- C13 H9 Co N2 O6 -","- C208 H144 Co16 N32 O96 -","16","1","","Velazquez Garcia, Jose de Jesus; de Los Santos Valladares, Luis; Barnes, Crispin H. W.; König, Sandra; Fröba, Michael; Baran, Volodymyr; Knjo, Bassima; Khademhir, Faegheh; Ekineken, Aliyenur; Hain, Fabienne; Carstensen, Evke; Spillner, Tom; Asprilla Herrera, Lina; Łukaszczyk, Weronika; Techert, Simone","Neutral and ionic Co(II) metal-organic frameworks with 2-methylimidazole and trimesate: design and evaluation for molecule encapsulation and slow release.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4449","4460","10.1039/d4dt02679a","","","0.61992","synchrotron","","0.0657","0.0608","","","0.1939","0.2013","","","","","","1.103","","","","has coordinates,has disorder","300971","2025-07-06","17:07:08",""
"7717796","15.2146","0.0014","5.7842","0.0006","12.1728","0.0011","90","","112.487","0.002","90","","989.81","0.16","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Velazquez Garcia, Jose de Jesus; de Los Santos Valladares, Luis; Barnes, Crispin H. W.; König, Sandra; Fröba, Michael; Baran, Volodymyr; Knjo, Bassima; Khademhir, Faegheh; Ekineken, Aliyenur; Hain, Fabienne; Carstensen, Evke; Spillner, Tom; Asprilla Herrera, Lina; Łukaszczyk, Weronika; Techert, Simone","Neutral and ionic Co(II) metal-organic frameworks with 2-methylimidazole and trimesate: design and evaluation for molecule encapsulation and slow release.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4449","4460","10.1039/d4dt02679a","","","0.71073","MoKα","","0.0531","0.046","","","0.1304","0.1381","","","","","","1.09","","","","has coordinates,has disorder","300971","2025-07-06","17:07:08",""
"7717797","17.0443","0.0008","17.2874","0.0007","20.257","0.0009","64.843","0.002","65.454","0.002","89.865","0.002","4803.1","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H67 Co4 N16 O24 -","- C76 H67 Co4 N16 O24 -","- C152 H134 Co8 N32 O48 -","2","1","","Velazquez Garcia, Jose de Jesus; de Los Santos Valladares, Luis; Barnes, Crispin H. W.; König, Sandra; Fröba, Michael; Baran, Volodymyr; Knjo, Bassima; Khademhir, Faegheh; Ekineken, Aliyenur; Hain, Fabienne; Carstensen, Evke; Spillner, Tom; Asprilla Herrera, Lina; Łukaszczyk, Weronika; Techert, Simone","Neutral and ionic Co(II) metal-organic frameworks with 2-methylimidazole and trimesate: design and evaluation for molecule encapsulation and slow release.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4449","4460","10.1039/d4dt02679a","","","0.71073","MoKα","","0.092","0.073","","","0.2073","0.2207","","","","","","1.036","","","","has coordinates,has disorder","300971","2025-07-06","17:07:08",""
"7717798","17.29","0.002","17.269","0.002","20.254","0.003","115.202","0.006","115.23","0.006","89.994","0.007","4826.7","1.2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H43 Co4 N10 O24 -","- C56 H43 Co4 N10 O24 -","- C112 H86 Co8 N20 O48 -","2","1","","Velazquez Garcia, Jose de Jesus; de Los Santos Valladares, Luis; Barnes, Crispin H. W.; König, Sandra; Fröba, Michael; Baran, Volodymyr; Knjo, Bassima; Khademhir, Faegheh; Ekineken, Aliyenur; Hain, Fabienne; Carstensen, Evke; Spillner, Tom; Asprilla Herrera, Lina; Łukaszczyk, Weronika; Techert, Simone","Neutral and ionic Co(II) metal-organic frameworks with 2-methylimidazole and trimesate: design and evaluation for molecule encapsulation and slow release.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4449","4460","10.1039/d4dt02679a","","","0.71073","MoKα","","0.0642","0.0517","","","0.1574","0.1695","","","","","","1.022","","","","has coordinates,has disorder","300971","2025-07-06","17:07:08",""
"7717799","12.4476","0.0001","26.5877","0.0002","24.0965","0.0002","90","","96.25","0.001","90","","7927.41","0.11","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","heterobimetallic cryptate with solvent of crystallisation","[Zn(II)Cu(I)Li](BF4)3 0.5MeCN 0.5H2O","","- C62 H77 B6 Cu2 F24 N29 O Zn2 -","- C62 H77 B6 Cu2 F24 N29 O Zn2 -","- C248 H308 B24 Cu8 F96 N116 O4 Zn8 -","4","1","","Singh, Varinder; Robb, Matthew G.; Brooker, Sally","Testing mixed metal bimetallic, and monometallic, cryptates for electrocatalytic hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3165","3173","10.1039/d4dt03161j","","x-ray","1.54184","CuKα","","0.0913","0.085","","","0.1906","0.1943","","","","","","1.147","","","","has coordinates,has disorder","298262","2025-03-04","20:15:34",""
"7717800","14.2639","0.0004","14.9629","0.0003","18.6926","0.0006","90","","109.36","0.004","90","","3764","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","heterobimetallic cryptate (no solvent present)","[Zn(II)Cu(I)Li](BF4)3","","- C30 H36 B3 Cu F12 N14 Zn -","- C30 H36 B3 Cu F12 N14 Zn -","- C120 H144 B12 Cu4 F48 N56 Zn4 -","4","1","","Singh, Varinder; Robb, Matthew G.; Brooker, Sally","Testing mixed metal bimetallic, and monometallic, cryptates for electrocatalytic hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3165","3173","10.1039/d4dt03161j","","x-ray","1.54184","CuKα","","0.0789","0.0601","","","0.142","0.1513","","","","","","1.136","","","","has coordinates,has disorder","298262","2025-03-04","20:15:34",""
"7717801","9.534","0.0002","13.1923","0.0004","28.9592","0.0006","85.359","0.002","87.624","0.002","76.78","0.002","3533.21","0.15","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","monometallic Zn(II) cryptate","[Zn(II)Li](BF4)2","","- C30 H36 B2 F8 N14 Zn -","- C30 H36 B2 F8 N14 Zn -","- C120 H144 B8 F32 N56 Zn4 -","4","2","","Singh, Varinder; Robb, Matthew G.; Brooker, Sally","Testing mixed metal bimetallic, and monometallic, cryptates for electrocatalytic hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3165","3173","10.1039/d4dt03161j","","x-ray","1.54184","CuKα","","0.065","0.0611","","","0.1526","0.1544","","","","","","1.207","","","","has coordinates","298262","2025-03-04","20:15:34",""
"7717802","18.9319","0.0009","7.7064","0.0004","10.0756","0.0005","90","","102.547","0.002","90","","1434.89","0.12","193","2","193","","","","","","","","","6","P 1 21 1","P 2yb","4","","S-1C","","- C18 H32 In2 N4 O16 P2 -","- C18 H32 In2 N4 O16 P2 -","- C36 H64 In4 N8 O32 P4 -","2","1","","Teng, Qian; Bao, Song-Song; Gao, Ran; Zheng, Li-Min","Homochiral layered indium phosphonates: solvent modulation of morphology and chiral discrimination adsorption.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3610","3618","10.1039/d4dt03227f","","","1.34139","GaKα","","0.0423","0.0407","","","0.1189","0.1208","","","","","","1.108","","","","has coordinates","298931","2025-04-05","03:19:04",""
"7717803","9.1201","0.0018","10.018","0.002","19.49","0.004","90","","90","","90","","1780.7","0.6","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H14 I2 N4 O2 Zn -","- C12 H14 I2 N4 O2 Zn -","- C48 H56 I8 N16 O8 Zn4 -","4","1","","Khorshidi, Ghazale; Notash, Behrouz","Controlling pseudopolymorphism <i>via</i> robust and repetitive solvent-containing supramolecular interactions in urea-based isostructural coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3759","3773","10.1039/d4dt03344b","","","0.71073","MoKα","","0.0888","0.0681","","","0.1642","0.1757","","","","","","0.974","","","","has coordinates","298925","2025-04-05","03:17:44",""
"7717804","9.0475","0.0018","10.378","0.002","20.096","0.004","90","","90","","90","","1886.9","0.6","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H16 Cd I2 N4 O2 -","- C13 H16 Cd I2 N4 O2 -","- C52 H64 Cd4 I8 N16 O8 -","4","1","","Khorshidi, Ghazale; Notash, Behrouz","Controlling pseudopolymorphism <i>via</i> robust and repetitive solvent-containing supramolecular interactions in urea-based isostructural coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3759","3773","10.1039/d4dt03344b","","","0.71073","MoKα","","0.0865","0.0604","","","0.1387","0.15","","","","","","0.918","","","","has coordinates","298925","2025-04-05","03:17:44",""
"7717805","9.1437","0.0018","10.043","0.002","19.926","0.004","90","","90","","90","","1829.8","0.6","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H14 Hg I2 N4 O2 -","- C12 H14 Hg I2 N4 O2 -","- C48 H56 Hg4 I8 N16 O8 -","4","1","","Khorshidi, Ghazale; Notash, Behrouz","Controlling pseudopolymorphism <i>via</i> robust and repetitive solvent-containing supramolecular interactions in urea-based isostructural coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3759","3773","10.1039/d4dt03344b","","","0.71073","MoKα","","0.1596","0.0777","","","0.1576","0.1946","","","","","","0.916","","","","has coordinates","298925","2025-04-05","03:17:44",""
"7717806","9.1508","0.0018","10.063","0.002","19.884","0.004","90","","90","","90","","1831","0.6","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H14 Cd I2 N4 O2 -","- C12 H14 Cd I2 N4 O2 -","- C48 H56 Cd4 I8 N16 O8 -","4","1","","Khorshidi, Ghazale; Notash, Behrouz","Controlling pseudopolymorphism <i>via</i> robust and repetitive solvent-containing supramolecular interactions in urea-based isostructural coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3759","3773","10.1039/d4dt03344b","","","0.71073","MoKα","","0.0826","0.0589","","","0.133","0.1445","","","","","","0.886","","","","has coordinates","298925","2025-04-05","03:17:44",""
"7717807","8.9539","0.0018","10.616","0.002","19.707","0.004","90","","90","","90","","1873.2","0.6","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H16 I2 N4 O2 Zn -","- C13 H16 I2 N4 O2 Zn -","- C52 H64 I8 N16 O8 Zn4 -","4","1","","Khorshidi, Ghazale; Notash, Behrouz","Controlling pseudopolymorphism <i>via</i> robust and repetitive solvent-containing supramolecular interactions in urea-based isostructural coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3759","3773","10.1039/d4dt03344b","","","0.71073","MoKα","","0.1084","0.0689","","","0.1599","0.1766","","","","","","0.979","","","","has coordinates","298925","2025-04-05","03:17:44",""
"7717808","9.0388","0.0018","10.366","0.002","20.154","0.004","90","","90","","90","","1888.4","0.6","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H16 Hg I2 N4 O2 -","- C13 H16 Hg I2 N4 O2 -","- C52 H64 Hg4 I8 N16 O8 -","4","1","","Khorshidi, Ghazale; Notash, Behrouz","Controlling pseudopolymorphism <i>via</i> robust and repetitive solvent-containing supramolecular interactions in urea-based isostructural coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3759","3773","10.1039/d4dt03344b","","","0.71073","MoKα","","0.1461","0.0648","","","0.13","0.1596","","","","","","0.895","","","","has coordinates","298925","2025-04-05","03:17:44",""
"7717809","9.882","0.003","21.468","0.005","12.867","0.003","90","","92.361","0.003","90","","2727.4","1.2","170","","170","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Co2-Ti2Nb8","","- C12 H72 Co2 K2 N12 Nb8 O40 Ti2 -","- C12 H72 Co2 K2 N12 Nb8 O40 Ti2 -","- C24 H144 Co4 K4 N24 Nb16 O80 Ti4 -","2","0.5","","Chen, Chun-Xia; Duan, Shui-Lin; Zhang, Xiao-Yue; Sun, Rong-Zhi; Cai, Ping-Wei; Sun, Cai; Zheng, Shou-Tian","Organic-inorganic hybrid Co-containing polyoxoniobates as hydrogen evolution catalysts in alkaline media.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3591","3596","10.1039/d4dt03071k","","","0.71073","MoKα","","0.0192","0.0173","","","0.0414","0.0422","","","","","","1.0669","","","","has coordinates","298918","2025-04-05","03:15:29",""
"7717810","12.1776","0.0004","38.782","0.0014","14.7815","0.0006","90","","100.796","0.004","90","","6857.3","0.4","170","","170","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Co3-Ti2Nb8","","- C18 H95 Co3 N18 Nb8 O40 Ti2 -","- C18 H84 Co3 N18 Nb8 O34 Ti2 -","- C72 H336 Co12 N72 Nb32 O136 Ti8 -","4","1","","Chen, Chun-Xia; Duan, Shui-Lin; Zhang, Xiao-Yue; Sun, Rong-Zhi; Cai, Ping-Wei; Sun, Cai; Zheng, Shou-Tian","Organic-inorganic hybrid Co-containing polyoxoniobates as hydrogen evolution catalysts in alkaline media.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3591","3596","10.1039/d4dt03071k","","x-ray","0.71073","MoKα","","0.1069","0.083","","","0.1941","0.2048","","","","","","1.089","","","","has coordinates,has disorder","298918","2025-04-05","03:15:30",""
"7717811","8.0988","0.0002","9.4558","0.0002","9.5158","0.0002","65.5","0.002","84.514","0.002","72.817","0.002","633.21","0.03","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- F0.5 Mn1.5 Na5.5 O14 P4 -","- F0.5 Mn1.5 Na5.5 O14 P4 -","- F Mn3 Na11 O28 P8 -","2","1","","Li, Feifan; Li, Yaping; Duffort, Victor; Mentré, Olivier; Minaud, Claire; Huang, Qingqing; Cheng, Xiedong; Cui, Rui; Lü, Minfeng","Open frameworks in the Na<sub><i>x</i></sub>Mn<sub><i>y</i></sub>(P<sub>2</sub>O<sub>7</sub>)<sub><i>m</i></sub>F<sub><i>n</i></sub> fluoro-pyrophosphates system.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2974","2984","10.1039/d4dt03027c","","x-ray","0.71073","MoKα","","0.0928","0.0564","","","0.0613","0.0659","","","","2.54","2.54","2.19","","","","has coordinates","298907","2025-04-05","03:09:20",""
"7717812","17.274","0.0004","5.762","0.0001","14.1406","0.0004","90","","106.428","0.0019","90","","1350","0.06","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F2 Mn0.75 Na7 O14 P4 -","- F2 Mn0.75 Na7 O14 P4 -","- F8 Mn3 Na28 O56 P16 -","4","0.5","","Li, Feifan; Li, Yaping; Duffort, Victor; Mentré, Olivier; Minaud, Claire; Huang, Qingqing; Cheng, Xiedong; Cui, Rui; Lü, Minfeng","Open frameworks in the Na<sub><i>x</i></sub>Mn<sub><i>y</i></sub>(P<sub>2</sub>O<sub>7</sub>)<sub><i>m</i></sub>F<sub><i>n</i></sub> fluoro-pyrophosphates system.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2974","2984","10.1039/d4dt03027c","","x-ray","0.71073","MoKα","","0.0685","0.0542","","","0.0965","0.1196","","","","2.45","2.45","2.7","","","","has coordinates","298907","2025-04-05","03:09:21",""
"7717813","6.2807","0.0002","9.8793","0.0003","20.0981","0.0005","93.683","0.002","92.42","0.002","107.398","0.002","1185.08","0.06","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- F Mn3 Na9 O28 P8 -","- F Mn3 Na9 O28 P8 -","- F2 Mn6 Na18 O56 P16 -","2","1","","Li, Feifan; Li, Yaping; Duffort, Victor; Mentré, Olivier; Minaud, Claire; Huang, Qingqing; Cheng, Xiedong; Cui, Rui; Lü, Minfeng","Open frameworks in the Na<sub><i>x</i></sub>Mn<sub><i>y</i></sub>(P<sub>2</sub>O<sub>7</sub>)<sub><i>m</i></sub>F<sub><i>n</i></sub> fluoro-pyrophosphates system.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2974","2984","10.1039/d4dt03027c","","x-ray","0.71073","MoKα","","0.1149","0.0429","","","0.04","0.0477","","","","1.43","1.43","1.12","","","","has coordinates","298907","2025-04-05","03:09:21",""
"7717814","10.6892","0.0007","21.3643","0.0009","10.0608","0.0005","90","","102.832","0.005","90","","2240.2","0.2","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N O Zn -","- C28 H23 N O Zn -","- C112 H92 N4 O4 Zn4 -","4","1","","Wei, Biao; Qin, Zhibiao; Miao, Hui; Wang, Chaoqun; Huang, Mengna; Liu, Chenxu; Bai, Cuibing; Chen, Zheng","Alkyl zinc complexes derived from formylfluorenimide ligands: synthesis, characterization and catalysis for hydroboration of aldehydes and ketones.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3427","3436","10.1039/d4dt03395g","","x-ray","0.71073","MoKα","","0.1569","0.107","","","0.2852","0.3244","","","","","","1.054","","","","has coordinates","298259","2025-03-04","20:14:24",""
"7717815","12.0642","0.0004","10.5511","0.0003","19.4179","0.0007","90","","104.812","0.004","90","","2389.58","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 N2 O Zn -","- C27 H30 N2 O Zn -","- C108 H120 N8 O4 Zn4 -","4","1","","Wei, Biao; Qin, Zhibiao; Miao, Hui; Wang, Chaoqun; Huang, Mengna; Liu, Chenxu; Bai, Cuibing; Chen, Zheng","Alkyl zinc complexes derived from formylfluorenimide ligands: synthesis, characterization and catalysis for hydroboration of aldehydes and ketones.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3427","3436","10.1039/d4dt03395g","","x-ray","0.71073","MoKα","","0.076","0.0427","","","0.1083","0.1214","","","","","","1.041","","","","has coordinates,has disorder","298259","2025-03-04","20:14:25",""
"7717816","28.7896","0.0019","28.7896","0.0019","19.0194","0.0009","90","","90","","120","","13652.1","1.4","293.15","","293.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H38 N2 O Zn -","- C28 H38 N2 O Zn -","- C504 H684 N36 O18 Zn18 -","18","1","","Wei, Biao; Qin, Zhibiao; Miao, Hui; Wang, Chaoqun; Huang, Mengna; Liu, Chenxu; Bai, Cuibing; Chen, Zheng","Alkyl zinc complexes derived from formylfluorenimide ligands: synthesis, characterization and catalysis for hydroboration of aldehydes and ketones.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3427","3436","10.1039/d4dt03395g","","x-ray","0.71073","MoKα","","0.0878","0.0488","","","0.1136","0.1272","","","","","","1.005","","","","has coordinates,has disorder","298259","2025-03-04","20:14:25",""
"7717817","8.5422","0.0004","9.1132","0.0006","16.3399","0.0012","101.392","0.007","92.843","0.005","116.235","0.006","1104.86","0.14","296.15","0.1","296.15","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H54 N4 O2 Zn2 -","- C52 H54 N4 O2 Zn2 -","- C52 H54 N4 O2 Zn2 -","1","0.5","","Wei, Biao; Qin, Zhibiao; Miao, Hui; Wang, Chaoqun; Huang, Mengna; Liu, Chenxu; Bai, Cuibing; Chen, Zheng","Alkyl zinc complexes derived from formylfluorenimide ligands: synthesis, characterization and catalysis for hydroboration of aldehydes and ketones.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3427","3436","10.1039/d4dt03395g","","x-ray","0.71073","MoKα","","0.1095","0.0849","","","0.2214","0.2413","","","","","","1.03","","","","has coordinates","298259","2025-03-04","20:14:25",""
"7717818","12.0635","0.0004","10.6401","0.0004","19.2513","0.0008","90","","101.383","0.004","90","","2422.43","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 N2 O Zn -","- C29 H28 N2 O Zn -","- C116 H112 N8 O4 Zn4 -","4","1","","Wei, Biao; Qin, Zhibiao; Miao, Hui; Wang, Chaoqun; Huang, Mengna; Liu, Chenxu; Bai, Cuibing; Chen, Zheng","Alkyl zinc complexes derived from formylfluorenimide ligands: synthesis, characterization and catalysis for hydroboration of aldehydes and ketones.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3427","3436","10.1039/d4dt03395g","","x-ray","0.71073","MoKα","","0.082","0.0509","","","0.139","0.1548","","","","","","1.044","","","","has coordinates","298259","2025-03-04","20:14:25",""
"7717819","10.3032","0.0007","14.4037","0.001","15.4154","0.001","73.897","0.002","77.002","0.002","89.1","0.002","2139","0.3","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H34 Br2 Cu2 N6 S1.98 -","- C37 H34 Br2 Cu2 N6 S1.978 -","- C74 H68 Br4 Cu4 N12 S3.956 -","2","1","","Ramakant, Girbide Amitkumar; Muduli, Gopendra; Rai, Rakesh Kumar; Prabusankar, Ganesan","Probing the nature of intramolecular (sp<sup>3</sup>)C-H⋯Cu(I) interactions in organo thione copper(I) cages.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3118","3126","10.1039/d4dt03294b","","","0.71073","MoKα","","0.0774","0.0448","","","0.1099","0.1232","","","","","","1.021","","","","has coordinates","298265","2025-03-04","20:17:02",""
"7717820","10.1474","0.0012","14.6541","0.0016","15.5293","0.0018","108.219","0.004","99.996","0.004","90.325","0.004","2155.7","0.4","223","2","223","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H68 Cu4 I4 N12 S3.98 -","- C74 H68 Cu4 I4 N12 S3.98 -","- C74 H68 Cu4 I4 N12 S3.98 -","1","0.5","","Ramakant, Girbide Amitkumar; Muduli, Gopendra; Rai, Rakesh Kumar; Prabusankar, Ganesan","Probing the nature of intramolecular (sp<sup>3</sup>)C-H⋯Cu(I) interactions in organo thione copper(I) cages.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3118","3126","10.1039/d4dt03294b","","","0.71073","MoKα","","0.0532","0.0329","","","0.073","0.0787","","","","","","1.057","","","","has coordinates","298265","2025-03-04","20:17:02",""
"7717821","10.2301","0.001","14.3455","0.0016","15.4107","0.0018","73.904","0.004","77.156","0.004","88.719","0.004","2116.7","0.4","121","","121","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H34 Br2 Cu2 N6 S2 -","- C37 H34 Br2 Cu2 N6 S2 -","- C74 H68 Br4 Cu4 N12 S4 -","2","1","","Ramakant, Girbide Amitkumar; Muduli, Gopendra; Rai, Rakesh Kumar; Prabusankar, Ganesan","Probing the nature of intramolecular (sp<sup>3</sup>)C-H⋯Cu(I) interactions in organo thione copper(I) cages.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3118","3126","10.1039/d4dt03294b","","","0.71073","MoKα","","0.0915","0.0464","","","0.0972","0.1214","","","","","","1.0063","","","","has coordinates","298265","2025-03-04","20:17:02",""
"7717822","10.2882","0.0014","14.6183","0.0017","15.56","0.002","72.964","0.004","78.573","0.005","89.436","0.004","2190.2","0.5","120","","120","","","","","","","","","6","P -1","-P 1","2","","SCuI","","- C74 H68 Cu4 I4 N12 S4 -","- C74 H68 Cu4 I4 N12 S4 -","- C74 H68 Cu4 I4 N12 S4 -","1","0.5","","Ramakant, Girbide Amitkumar; Muduli, Gopendra; Rai, Rakesh Kumar; Prabusankar, Ganesan","Probing the nature of intramolecular (sp<sup>3</sup>)C-H⋯Cu(I) interactions in organo thione copper(I) cages.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3118","3126","10.1039/d4dt03294b","","","0.71073","MoKα","","0.0583","0.0347","","","0.0634","0.0708","","","","","","1.0194","","","","has coordinates","298265","2025-03-04","20:17:02",""
"7717823","9.7598","0.0012","13.8657","0.0017","13.1083","0.0014","90","","111.86","","90","","1646.4","0.3","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","vanadium comp[lex","","- C15 H21 N2 O4 V -","- C15 H21 N2 O4 V -","- C60 H84 N8 O16 V4 -","4","1","","Patra, Roumi; Sinha, Debopam; Mondal, Sandip; Rajak, Kajal Krishna","New V<sup>V</sup>O<sub>2</sub>, V<sup>V</sup>O, V<sup>V</sup>OV<sup>V</sup>O and electrogenerated V<sup>IV</sup>OV<sup>V</sup>O systems of valproic acid hydrazones: a study of catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5471","5485","10.1039/d4dt02030h","","x-ray","0.71073","MoKα","","0.0571","0.0416","","","0.092","0.1002","","","","","","1.051","","","","has coordinates","300872","2025-07-06","16:24:17",""
"7717824","9.0199","0.0016","19.834","0.003","9.7259","0.0015","90","","115.716","0.005","90","","1567.6","0.4","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hydrazone ligand","hydrazone ligand","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C60 H88 N8 O8 -","4","1","","Patra, Roumi; Sinha, Debopam; Mondal, Sandip; Rajak, Kajal Krishna","New V<sup>V</sup>O<sub>2</sub>, V<sup>V</sup>O, V<sup>V</sup>OV<sup>V</sup>O and electrogenerated V<sup>IV</sup>OV<sup>V</sup>O systems of valproic acid hydrazones: a study of catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5471","5485","10.1039/d4dt02030h","","x-ray","0.71073","MoKα","","0.0828","0.0523","","","0.1269","0.1469","","","","","","1.029","","","","has coordinates,has disorder","300872","2025-07-06","16:24:18",""
"7717825","6.96","0.003","15.4","0.007","37.316","0.016","90","","90","","90","","4000","3","293.15","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","vanadium complex","vanadium dioxido complex","","- C19 H25 N2 O5 V -","- C19 H25 N2 O5 V -","- C152 H200 N16 O40 V8 -","8","1","","Patra, Roumi; Sinha, Debopam; Mondal, Sandip; Rajak, Kajal Krishna","New V<sup>V</sup>O<sub>2</sub>, V<sup>V</sup>O, V<sup>V</sup>OV<sup>V</sup>O and electrogenerated V<sup>IV</sup>OV<sup>V</sup>O systems of valproic acid hydrazones: a study of catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5471","5485","10.1039/d4dt02030h","","","0.71073","MoKα","","0.2037","0.0951","","","0.2493","0.3245","","","","","","1.037","","","","has coordinates","300872","2025-07-06","16:24:18",""
"7717826","12.966","0.003","16.279","0.003","10.33","0.002","90","","112.488","0.005","90","","2014.6","0.7","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","vanadium oxido complex","vanadium oxido complex","","- C17 H27 N2 O5 V -","- C17 H27 N2 O5 V -","- C68 H108 N8 O20 V4 -","4","1","","Patra, Roumi; Sinha, Debopam; Mondal, Sandip; Rajak, Kajal Krishna","New V<sup>V</sup>O<sub>2</sub>, V<sup>V</sup>O, V<sup>V</sup>OV<sup>V</sup>O and electrogenerated V<sup>IV</sup>OV<sup>V</sup>O systems of valproic acid hydrazones: a study of catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5471","5485","10.1039/d4dt02030h","","","0.71073","MoKα","","0.1105","0.072","","","0.1622","0.1837","","","","","","1.05","","","","has coordinates,has disorder","300872","2025-07-06","16:24:18",""
"7717827","8.6752","0.0014","13.712","0.002","17.313","0.003","75.983","0.005","89.588","0.005","75.312","0.005","1929.6","0.5","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H44 N4 O7 V2 -","- C38 H44 N4 O7 V2 -","- C76 H88 N8 O14 V4 -","2","1","","Patra, Roumi; Sinha, Debopam; Mondal, Sandip; Rajak, Kajal Krishna","New V<sup>V</sup>O<sub>2</sub>, V<sup>V</sup>O, V<sup>V</sup>OV<sup>V</sup>O and electrogenerated V<sup>IV</sup>OV<sup>V</sup>O systems of valproic acid hydrazones: a study of catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5471","5485","10.1039/d4dt02030h","","x-ray","0.71073","MoKα","","0.1257","0.083","","","0.2066","0.2358","","","","","","1.055","","","","has coordinates","300872","2025-07-06","16:24:18",""
"7717828","4.9108","0.0007","11.4224","0.0014","30.4","0.004","90","","90","","90","","1705.2","0.4","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Napthalene hydrazide ligand","Napthalene hydrazide ligand","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Patra, Roumi; Sinha, Debopam; Mondal, Sandip; Rajak, Kajal Krishna","New V<sup>V</sup>O<sub>2</sub>, V<sup>V</sup>O, V<sup>V</sup>OV<sup>V</sup>O and electrogenerated V<sup>IV</sup>OV<sup>V</sup>O systems of valproic acid hydrazones: a study of catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5471","5485","10.1039/d4dt02030h","","","0.71073","MoKα","","0.0734","0.0483","","","0.1156","0.1373","","","","","","1.0944","","","","has coordinates","300872","2025-07-06","16:24:18",""
"7717829","15.8106","0.0006","10.1763","0.0004","17.89","0.0009","90","","100.074","0.004","90","","2834","0.2","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 N2 O4 Ru -","- C11 H8 N2 O4 Ru -","- C88 H64 N16 O32 Ru8 -","8","1","","Kataoka, Yusuke; Tada, Nozomi; Masamori, Naoki; Yano, Natsumi; Moriyoshi, Chikako; Handa, Makoto","Paddlewheel-type and half-paddlewheel-type diruthenium(II,II) complexes with 1,8-naphthyridine-2-carboxylate.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3047","3056","10.1039/d4dt03321c","","x-ray","0.4139","synchrotron","","0.0365","0.0326","","","0.0835","0.0858","","","","","","1.039","","","","has coordinates","298909","2025-04-05","03:09:45",""
"7717830","14.3054","0.0003","31.5689","0.0006","33.7968","0.0006","90","","90","","90","","15262.8","0.5","100","0.1","100","0.1","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C18 H10 N4 O4 Ru -","- C18 H10 N4 O4 Ru -","- C576 H320 N128 O128 Ru32 -","32","1","","Kataoka, Yusuke; Tada, Nozomi; Masamori, Naoki; Yano, Natsumi; Moriyoshi, Chikako; Handa, Makoto","Paddlewheel-type and half-paddlewheel-type diruthenium(II,II) complexes with 1,8-naphthyridine-2-carboxylate.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3047","3056","10.1039/d4dt03321c","","x-ray","1.54184","CuKα","","0.048","0.0456","","","0.1156","0.117","","","","","","1.128","","","","has coordinates","298909","2025-04-05","03:09:46",""
"7717831","20.7336","0.0003","20.7336","0.0003","45.9883","0.0012","90","","90","","120","","17120.9","0.6","100.15","","100.15","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C17 H11 Cl3 N2 O4 Ru -","- C17 H11 Cl3 N2 O4 Ru -","- C612 H396 Cl108 N72 O144 Ru36 -","36","1","","Kataoka, Yusuke; Tada, Nozomi; Masamori, Naoki; Yano, Natsumi; Moriyoshi, Chikako; Handa, Makoto","Paddlewheel-type and half-paddlewheel-type diruthenium(II,II) complexes with 1,8-naphthyridine-2-carboxylate.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3047","3056","10.1039/d4dt03321c","","x-ray","0.71073","MoKα","","0.0516","0.0486","","","0.1305","0.1325","","","","","","1.077","","","","has coordinates","298909","2025-04-05","03:09:46",""
"7717832","44.9281","0.0009","11.0132","0.0002","20.9971","0.0004","90","","113.191","0.002","90","","9549.9","0.3","30","2","30","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C73 H56 Dy O21 S40 -","- C73 H56 Dy O21 S40 -","- C292 H224 Dy4 O84 S160 -","4","0.5","","Howarth, Emily; Lopez, Jordan; Ogar, Joseph O.; Blundell, Toby J.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Ihara, Yoshihiko; Coles, Simon J.; Horton, Peter N.; Christensen, Jeppe; Martin, Lee","Radical-cation salts of BEDT-TTF with tris-coordinated racemic dysprosium(III) and terbium(III) anions.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3207","3215","10.1039/d4dt03484h","","x-ray","0.6889","synchrotron","","0.0613","0.0502","","","0.1195","0.1268","","","","","","0.9","","","","has coordinates,has disorder","298257","2025-03-04","20:13:50",""
"7717833","47.654","0.002","11.0579","0.0003","21.3658","0.0009","90","","120.249","0.006","90","","9725.8","0.9","293.1","0.7","293.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C73 H56 O21 S40 Tb -","- C73 H56 O21 S40 Tb -","- C292 H224 O84 S160 Tb4 -","4","0.5","","Howarth, Emily; Lopez, Jordan; Ogar, Joseph O.; Blundell, Toby J.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Ihara, Yoshihiko; Coles, Simon J.; Horton, Peter N.; Christensen, Jeppe; Martin, Lee","Radical-cation salts of BEDT-TTF with tris-coordinated racemic dysprosium(III) and terbium(III) anions.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3207","3215","10.1039/d4dt03484h","","","0.71075","MoKα","","0.0572","0.0468","","","0.0996","0.1037","","","","","","1.142","","","","has coordinates,has disorder","298257","2025-03-04","20:13:50",""
"7717834","11.0672","0.0006","11.3539","0.0007","11.8293","0.0006","72.254","0.002","70.009","0.002","63.384","0.002","1228.32","0.12","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C44 H36 B2 Cl4 I N12 Nd O6 -","- C44 H36 B2 Cl4 I N12 Nd O6 -","- C44 H36 B2 Cl4 I N12 Nd O6 -","1","0.5","","Thomas, Jarrod R.; Giansiracusa, Marcus J.; Mifsud, Jonathan T.; Mole, Richard A.; Sulway, Scott A.","A rare case of a zero-field single-ion magnet in a cerium(III) pseudo-icosahedral complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3071","3078","10.1039/d4dt03231d","","","0.71073","MoKα","","0.0399","0.0326","","","0.0723","0.0796","","","","","","1.156","","","","has coordinates","298912","2025-04-05","03:10:44",""
"7717835","11.0781","0.0006","11.3685","0.0006","11.8447","0.0006","72.306","0.002","70.058","0.002","63.402","0.002","1233.43","0.11","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C44 H36 B2 Ce Cl4 I N12 O6 -","- C44 H36 B2 Ce Cl4 I N12 O6 -","- C44 H36 B2 Ce Cl4 I N12 O6 -","1","0.5","","Thomas, Jarrod R.; Giansiracusa, Marcus J.; Mifsud, Jonathan T.; Mole, Richard A.; Sulway, Scott A.","A rare case of a zero-field single-ion magnet in a cerium(III) pseudo-icosahedral complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3071","3078","10.1039/d4dt03231d","","","0.71073","MoKα","","0.0308","0.0283","","","0.0705","0.0738","","","","","","1.109","","","","has coordinates","298912","2025-04-05","03:10:45",""
"7717836","11.1211","0.0008","11.3355","0.0007","11.9129","0.0008","72.06","0.003","69.769","0.003","63.382","0.002","1238.62","0.15","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C44 H36 B2 Cl4 I La N12 O6 -","- C44 H36 B2 Cl4 I La N12 O6 -","- C44 H36 B2 Cl4 I La N12 O6 -","1","0.5","","Thomas, Jarrod R.; Giansiracusa, Marcus J.; Mifsud, Jonathan T.; Mole, Richard A.; Sulway, Scott A.","A rare case of a zero-field single-ion magnet in a cerium(III) pseudo-icosahedral complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3071","3078","10.1039/d4dt03231d","","","0.71073","MoKα","","0.0464","0.0373","","","0.0802","0.0885","","","","","","1.19","","","","has coordinates","298912","2025-04-05","03:10:52",""
"7717837","11.0573","0.0005","11.3637","0.0005","11.8627","0.0006","72.195","0.002","69.94","0.002","63.419","0.002","1231.4","0.1","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C44 H36 B2 Cl4 I N12 O6 Pr -","- C44 H36 B2 Cl4 I N12 O6 Pr -","- C44 H36 B2 Cl4 I N12 O6 Pr -","1","0.5","","Thomas, Jarrod R.; Giansiracusa, Marcus J.; Mifsud, Jonathan T.; Mole, Richard A.; Sulway, Scott A.","A rare case of a zero-field single-ion magnet in a cerium(III) pseudo-icosahedral complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3071","3078","10.1039/d4dt03231d","","","0.71073","MoKα","","0.0279","0.0232","","","0.0511","0.0555","","","","","","1.187","","","","has coordinates","298912","2025-04-05","03:10:53",""
"7717838","26.9155","0.0006","15.7883","0.0003","8.7097","0.0002","90","","90","","90","","3701.19","0.14","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C27 H34 Cd2 Cl2 N4 O3 -","- C27 H34 Cd2 Cl2 N4 O3 -","- C108 H136 Cd8 Cl8 N16 O12 -","4","1","","Rohilla, Jyoti; Thakur, Sahil; Sharma, Sahil; Singh, Raghubir; Kaur, Varinder","Pd@BTL-Cd core-shell nanoparticles as plasmonic photocatalysts for the reductive amination of furfural in water.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3645","3658","10.1039/d4dt03058c","","x-ray","0.71073","MoKα","","0.0486","0.0346","","","0.0678","0.0719","","","","","","1.037","","","","has coordinates","298916","2025-04-05","03:14:53",""
"7717839","10.0304","0.001","19.479","0.003","17.5363","0.0018","90","","97.579","0.012","90","","3396.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 Cl3 N4 O3 -","- C27 H39 Cl3 N4 O3 -","- C108 H156 Cl12 N16 O12 -","4","1","","Rohilla, Jyoti; Thakur, Sahil; Sharma, Sahil; Singh, Raghubir; Kaur, Varinder","Pd@BTL-Cd core-shell nanoparticles as plasmonic photocatalysts for the reductive amination of furfural in water.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3645","3658","10.1039/d4dt03058c","","x-ray","0.71073","MoKα","","0.1874","0.0925","","","0.2654","0.3455","","","","","","0.904","","","","has coordinates","298916","2025-04-05","03:14:54",""
"7717840","7.1711","0.0004","21.7368","0.0013","19.3298","0.001","90","","97.868","0.002","90","","2984.7","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H24 Br4 Mn N8 O -","- C26 H24 Br4 Mn N8 O -","- C104 H96 Br16 Mn4 N32 O4 -","4","2","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Lisichnikov, Alexandr; Linert, Wolfgang","New highly efficient phosphorescent manganese halides as green and blue emitters.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3335","3345","10.1039/d4dt03343d","","","0.71073","MoKα","","0.0746","0.0535","","","0.0964","0.1034","","","","","","1.049","","","","has coordinates","298253","2025-03-04","20:10:38",""
"7717841","7.1579","0.0002","20.023","0.0007","21.5485","0.0007","90","","94.133","0.001","90","","3080.36","0.17","100.15","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Br4 N8 O2 Zn -","- C26 H26 Br4 N8 O2 Zn -","- C104 H104 Br16 N32 O8 Zn4 -","4","1","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Lisichnikov, Alexandr; Linert, Wolfgang","New highly efficient phosphorescent manganese halides as green and blue emitters.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3335","3345","10.1039/d4dt03343d","","","0.71073","MoKα","","0.0371","0.031","","","0.0849","0.0879","","","","","","1.079","","","","has coordinates","298253","2025-03-04","20:10:39",""
"7717842","7.3309","0.0004","9.2987","0.0005","11.2602","0.0006","70.319","0.002","87.677","0.002","68.271","0.002","668.27","0.06","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Br N4 O -","- C13 H13 Br N4 O -","- C26 H26 Br2 N8 O2 -","2","1","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Lisichnikov, Alexandr; Linert, Wolfgang","New highly efficient phosphorescent manganese halides as green and blue emitters.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3335","3345","10.1039/d4dt03343d","","","0.71073","MoKα","","0.0336","0.027","","","0.0644","0.0658","","","","","","0.993","","","","has coordinates","298253","2025-03-04","20:10:39",""
"7717843","8.7337","0.0011","16.123","0.002","18.235","0.003","90","","92.136","0.005","90","","2565.9","0.6","120","2","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl2 Mn N8 O -","- C26 H22 Cl2 Mn N8 O -","- C104 H88 Cl8 Mn4 N32 O4 -","4","1","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Lisichnikov, Alexandr; Linert, Wolfgang","New highly efficient phosphorescent manganese halides as green and blue emitters.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3335","3345","10.1039/d4dt03343d","","","0.71073","MoKα","","0.1415","0.0942","","","0.1875","0.2109","","","","","","1.068","","","","has coordinates","298253","2025-03-04","20:10:39",""
"7717844","38.759","0.0018","19.335","0.0009","12.2485","0.0006","90","","100.097","0.002","90","","9036.9","0.7","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H42 N4 Pt -","- C45 H40.836 N4 Pt -","- C360 H326.688 N32 Pt8 -","8","1","","Zhang, Chengyao; Dou, Lijie; Wang, Xia; Xu, Kewei; Chen, Jianqiang; Zhan, Feng; Li, Guijie; Yang, Yun-Fang; She, Yuanbin","Carbazolylpyridine (<i>cp</i>)-based tetradentate platinum(II) complexes containing fused 6/5/6 metallocycles.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3256","3265","10.1039/d4dt02743d","","x-ray","1.34139","GaKα","","0.0681","0.0445","","","0.1035","0.113","","","","","","1.036","","","","has coordinates,has disorder","298254","2025-03-04","20:11:27",""
"7717845","12.2751","0.0006","16.9466","0.0007","19.2822","0.0008","80.219","0.002","87.4","0.002","74.135","0.002","3802.2","0.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H42 N4 Pt -","- C45 H42 N4 Pt -","- C180 H168 N16 Pt4 -","4","2","","Zhang, Chengyao; Dou, Lijie; Wang, Xia; Xu, Kewei; Chen, Jianqiang; Zhan, Feng; Li, Guijie; Yang, Yun-Fang; She, Yuanbin","Carbazolylpyridine (<i>cp</i>)-based tetradentate platinum(II) complexes containing fused 6/5/6 metallocycles.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3256","3265","10.1039/d4dt02743d","","x-ray","1.34139","GaKα","","0.0604","0.0425","","","0.1131","0.1273","","","","","","0.799","","","","has coordinates,has disorder","298254","2025-03-04","20:11:28",""
"7717846","7.3396","0.0002","16.866","0.0004","10.2918","0.0003","90","","103.493","0.002","90","","1238.85","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(η5-2,4-dimethylpentadienyl)(η5-2,4-dimethyl-1-oxapentadienyl) ruthenium","","- C13 H20 O Ru -","- C13 H20 O Ru -","- C52 H80 O4 Ru4 -","4","1","","Kultyshev, Roman; Harkness, Ian; Berry, Daniel B. G.; Jobson, Hoi; Marchbank, Huw; Eralp Erden, Tugce; Ashfield, Laura","Heteroleptic ""open ruthenocene"" for deposition of Ru films from the gas phase.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2261","2264","10.1039/d4dt02466d","","x-ray","0.71073","MoKα","K-L~3~","0.0233","0.02","","","0.0514","0.0529","","","","","","1.062","","","","has coordinates","298891","2025-04-05","02:59:24",""
"7717847","9.1124","0.0005","9.9522","0.0004","9.9964","0.0006","88.322","0.004","70.428","0.005","83.041","0.004","847.82","0.08","297.42","0.1","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Br2 N4 O Zn -","- C15 H12 Br2 N4 O Zn -","- C30 H24 Br4 N8 O2 Zn2 -","2","1","","Liu, Su-Jia; Shi, Yong-Sheng; Wang, Rui-Ying; Xiao, Tong; Xia, Zhong-Gang; Wang, Rui; Zheng, Xiang-Jun","Facile preparation, mechanochromic luminescence and excitation wavelength-dependent emission of tetra(1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)ethene Zn(II) complexes and their applications.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3619","3625","10.1039/d4dt03434a","","","0.71073","MoKα","","0.0482","0.034","","","0.0672","0.0732","","","","","","1.038","","","","has coordinates","298920","2025-04-05","03:16:12",""
"7717848","8.8194","0.0005","9.7128","0.0007","9.8023","0.0005","91.156","0.005","95.778","0.004","107.223","0.006","796.84","0.09","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Cl2 N4 O Zn -","- C15 H12 Cl2 N4 O Zn -","- C30 H24 Cl4 N8 O2 Zn2 -","2","1","","Liu, Su-Jia; Shi, Yong-Sheng; Wang, Rui-Ying; Xiao, Tong; Xia, Zhong-Gang; Wang, Rui; Zheng, Xiang-Jun","Facile preparation, mechanochromic luminescence and excitation wavelength-dependent emission of tetra(1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)ethene Zn(II) complexes and their applications.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3619","3625","10.1039/d4dt03434a","","x-ray","0.71073","MoKα","","0.0639","0.0488","","","0.0968","0.111","","","","","","1.025","","","","has coordinates","298920","2025-04-05","03:16:12",""
"7717849","13.4931","0.0005","13.8886","0.0004","19.9737","0.0008","90","","94.698","0.001","90","","3730.5","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 F12 N7 O2 P2 Ru -","- C34 H29 F12 N7 O2 P2 Ru -","- C136 H116 F48 N28 O8 P8 Ru4 -","4","1","","Scarpi-Luttenauer, Matthieu; Galentino, Katia; Orvain, Christophe; Fluck, Audrey; Cecchini, Marco; Mellitzer, Georg; Gaiddon, Christian; Mobian, Pierre","Platinum(II) and ruthenium(II) coordination complexes equipped with an anchoring site for binding the protein kinase enzyme pockets: synthesis, molecular docking and biological assays.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8270","8286","10.1039/d4dt02984d","","","0.71073","MoKα","","0.0898","0.0637","","","0.1726","0.1935","","","","","","1.049","","","","has coordinates,has disorder","300857","2025-07-06","16:17:14",""
"7717850","6.6613","0.0004","16.7503","0.001","32.2265","0.0018","90","","90","","90","","3595.8","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 F6 N6 O2 P Pt -","- C28 H29 F6 N6 O2 P Pt -","- C112 H116 F24 N24 O8 P4 Pt4 -","4","1","","Scarpi-Luttenauer, Matthieu; Galentino, Katia; Orvain, Christophe; Fluck, Audrey; Cecchini, Marco; Mellitzer, Georg; Gaiddon, Christian; Mobian, Pierre","Platinum(II) and ruthenium(II) coordination complexes equipped with an anchoring site for binding the protein kinase enzyme pockets: synthesis, molecular docking and biological assays.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8270","8286","10.1039/d4dt02984d","","","0.71073","MoKα","","0.0644","0.0556","","","0.1292","0.1337","","","","","","1.118","","","","has coordinates","300857","2025-07-06","16:17:15",""
"7717851","13.0703","0.0002","11.9968","0.0002","18.918","0.0004","90","","109.428","0.002","90","","2797.47","0.09","100.1","0.2","100.1","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H48 Hf Os -","- C25 H48 Hf Os -","- C100 H192 Hf4 Os4 -","4","1","","Lachguar, Abdelhak; Neumann, Till; Pichugov, Andrey V.; Jeanneau, Erwann; Veyre, Laurent; Thieuleux, Chloé; Camp, Clément","Catalytic H/D exchange of (hetero)arenes with early-late polyhydride heterobimetallic complexes: impact of transition metal pairs.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3804","3811","10.1039/d4dt03171g","","x-ray","0.71073","MoKα","","0.0322","0.0284","","","0.0787","0.0808","","","","","","1.038","","","","has coordinates","298919","2025-04-05","03:16:04",""
"7717852","10.5767","0.0006","10.5767","0.0006","10.5767","0.0006","90","","90","","90","","1183.18","0.12","101","2","101","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Br12 Rb4 Sn2 -","- Br12 Rb4 Sn2 -","- Br24 Rb8 Sn4 -","2","0.0104167","","Hasan, Rahidul; Aslam, Hafiz Zohaib; Joshi, Rutva; Lalancette, Roger A.; Akopov, Georgiy","Hydrothermal growth and characterization of large Rb<sub>2</sub>SnBr<sub>6</sub> double perovskite crystals: a promising semiconductor material for photocatalysis and optoelectronics.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3796","3803","10.1039/d4dt02712d","","x-ray","0.71073","MoKα","","0.0306","0.0301","","","0.0685","0.0686","","","","","","1.247","","","","has coordinates","298927","2025-04-05","03:18:17",""
"7717853","10.0195","0.0001","10.0195","0.0001","10.0195","0.0001","90","","90","","90","","1005.86","0.017","105","2","105","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl12 Rb4 Sn2 -","- Cl12 Rb4 Sn2 -","- Cl24 Rb8 Sn4 -","2","0.0104167","","Hasan, Rahidul; Aslam, Hafiz Zohaib; Joshi, Rutva; Lalancette, Roger A.; Akopov, Georgiy","Hydrothermal growth and characterization of large Rb<sub>2</sub>SnBr<sub>6</sub> double perovskite crystals: a promising semiconductor material for photocatalysis and optoelectronics.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3796","3803","10.1039/d4dt02712d","","x-ray","0.71073","MoKα","","0.0189","0.0162","","","0.0363","0.0373","","","","","","1.137","","","","has coordinates","298927","2025-04-05","03:18:17",""
"7717854","8.786","0.004","14.011","0.006","11.451","0.006","90","","94.863","0.013","90","","1404.6","1.1","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H43 B3 N4 Zn -","- C22 H43 B3 N4 Zn -","- C44 H86 B6 N8 Zn2 -","2","1","","Cruz, Tiago F. C.; Veiros, Luís F.","Borane-tethered heteroscorpionate zinc catalysts for the hydroboration of carbon dioxide, isocyanates, esters and nitriles","Dalton Transactions","2025","54","10","4244","4254","10.1039/D4DT03363A","","","0.71073","MoKα","","0.2103","0.1484","","","0.3551","0.3813","","","","","","1.153","","","","has coordinates","300755","2025-07-06","15:25:31",""
"7717855","9.43921","0.0001","15.8638","0.0002","28.9421","0.0004","90","","91.357","0.001","90","","4332.62","0.09","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H57 Fe P -","- C55 H57 Fe P -","- C220 H228 Fe4 P4 -","4","1","","Deka, Rajesh; Chattopadhyay, Samir; Orthaber, Andreas","Contorting the hetero phosphaquinoid: synthesis and electronic insights into a non-planar, ferrocenyl phosphaquinoid.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3113","3117","10.1039/d4dt03542a","","x-ray","1.54184","CuKα","","0.058","0.0547","","","0.1517","0.1543","","","","","","1.045","","","","has coordinates","298263","2025-03-04","20:15:45",""
"7717856","10.741","0.004","11.706","0.004","17.303","0.006","104.924","0.007","100.81","0.006","97.855","0.007","2025.3","1.2","180.15","","180.15","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H51 Fe P -","- C49 H51 Fe P -","- C98 H102 Fe2 P2 -","2","1","","Deka, Rajesh; Chattopadhyay, Samir; Orthaber, Andreas","Contorting the hetero phosphaquinoid: synthesis and electronic insights into a non-planar, ferrocenyl phosphaquinoid.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3113","3117","10.1039/d4dt03542a","","x-ray","0.71073","MoKα","","0.3005","0.1588","","","0.2154","0.2608","","","","","","1.144","","","","has coordinates","298263","2025-03-04","20:15:45",""
"7717857","12.1978","0.0003","12.83","0.0003","23.1565","0.0006","91.888","0.002","90.283","0.002","97.188","0.002","3593.36","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H98 N4 O Si2 -","- C86 H98 N4 O Si2 -","- C172 H196 N8 O2 Si4 -","2","1","","Dodonov, Vladimir A.; Kryuchenkova, Alina A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Zhao, Yanxia; Osmanov, Vladimir K.; Fedushkin, Igor L.","Cooperative and non-cooperative additions involving a silicon atom and a redox-active ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3921","3929","10.1039/d4dt03409k","","","0.71073","MoKα","","0.0961","0.0679","","","0.1667","0.1859","","","","","","1.051","","","","has coordinates,has disorder","298917","2025-04-05","03:15:11",""
"7717858","9.1741","0.0004","22.2346","0.0006","24.0351","0.0009","65.722","0.003","84.555","0.003","89.836","0.003","4445.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C55.25 H55.5 N2 Si -","- C55.25 H55.5 N2 Si -","- C221 H222 N8 Si4 -","4","2","","Dodonov, Vladimir A.; Kryuchenkova, Alina A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Zhao, Yanxia; Osmanov, Vladimir K.; Fedushkin, Igor L.","Cooperative and non-cooperative additions involving a silicon atom and a redox-active ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3921","3929","10.1039/d4dt03409k","","","0.71073","MoKα","","0.1492","0.0745","","","0.1732","0.2056","","","","","","1.001","","","","has coordinates,has disorder","298917","2025-04-05","03:15:12",""
"7717859","12.847","0.0004","31.975","0.0006","19.4524","0.0006","90","","102.547","0.003","90","","7799.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92.72 H99.84 F0.96 N4.96 Se1.04 Si2 -","- C92.72 H99.84 F0.96 N4.96 Se1.04 Si2 -","- C370.88 H399.36 F3.84 N19.84 Se4.16 Si8 -","4","1","","Dodonov, Vladimir A.; Kryuchenkova, Alina A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Zhao, Yanxia; Osmanov, Vladimir K.; Fedushkin, Igor L.","Cooperative and non-cooperative additions involving a silicon atom and a redox-active ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3921","3929","10.1039/d4dt03409k","","","0.71073","MoKα","","0.086","0.0599","","","0.1107","0.1207","","","","","","1.095","","","","has coordinates,has disorder","298917","2025-04-05","03:15:12",""
"7717860","15.5811","0.0003","16.4451","0.0004","16.0981","0.0003","90","","99.055","0.002","90","","4073.46","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H50 N2 Si -","- C50 H50 N2 Si -","- C200 H200 N8 Si4 -","4","1","","Dodonov, Vladimir A.; Kryuchenkova, Alina A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Zhao, Yanxia; Osmanov, Vladimir K.; Fedushkin, Igor L.","Cooperative and non-cooperative additions involving a silicon atom and a redox-active ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3921","3929","10.1039/d4dt03409k","","","0.71073","MoKα","","0.0761","0.05","","","0.1193","0.1364","","","","","","1.022","","","","has coordinates,has disorder","298917","2025-04-05","03:15:12",""
"7717861","11.008","0.0003","11.7815","0.0002","18.8076","0.0005","81.4346","0.0019","78.744","0.002","76.859","0.002","2315.61","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H59 N2 O2 Si -","- C55 H59 N2 O2 Si -","- C110 H118 N4 O4 Si2 -","2","1","","Dodonov, Vladimir A.; Kryuchenkova, Alina A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Zhao, Yanxia; Osmanov, Vladimir K.; Fedushkin, Igor L.","Cooperative and non-cooperative additions involving a silicon atom and a redox-active ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3921","3929","10.1039/d4dt03409k","","","0.71073","MoKα","","0.0794","0.047","","","0.0993","0.1138","","","","","","1.014","","","","has coordinates","298917","2025-04-05","03:15:12",""
"7717862","17.5347","0.0003","12.8904","0.0002","15.1094","0.0003","90","","99.008","0.002","90","","3373.05","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 Cl3 N2 Si -","- C37 H41 Cl3 N2 Si -","- C148 H164 Cl12 N8 Si4 -","4","1","","Dodonov, Vladimir A.; Kryuchenkova, Alina A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Zhao, Yanxia; Osmanov, Vladimir K.; Fedushkin, Igor L.","Cooperative and non-cooperative additions involving a silicon atom and a redox-active ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3921","3929","10.1039/d4dt03409k","","","0.71073","MoKα","","0.0634","0.0447","","","0.1151","0.1264","","","","","","1.016","","","","has coordinates","298917","2025-04-05","03:15:12",""
"7717863","9.6034","0.0002","10.4382","0.0003","12.1561","0.0003","101.682","0.001","103.81","0.001","104.221","0.001","1102.05","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","10-(bis(2,6-dimethylphenyl)boraneyl)-10H-phenoxazine","","- C28 H26 B N O -","- C28 H26 B N O -","- C56 H52 B2 N2 O2 -","2","1","","Muhammed Munthasir, Akkarakkaran Thayyil; Jena, Satyam; Thilagar, Pakkirisamy","Transforming delayed fluorescence into blue-shifted phosphorescence in aminoboranes <i>via</i> oxygen-to-sulfur substitution on the donor amine.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4577","4588","10.1039/d4dt03200d","","","0.71073","MoKα","","0.0706","0.0563","","","0.1741","0.1897","","","","","","1.066","","","","has coordinates","300974","2025-07-06","17:08:08",""
"7717864","11.8077","0.0012","19.836","0.002","17.0505","0.0018","90","","107.82","0.004","90","","3801.9","0.7","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H52 Al N2 O P -","- C41 H52 Al N2 O P -","- C164 H208 Al4 N8 O4 P4 -","4","1","","Ding, Yi; Ma, Yinghua; Tang, Yongheng; Fu, Yang; Wan, Jiayi; Xu, Zhiyuan; He, Yifei; Shi, Zhenhai; Nazish, Mohd; Wu, Peng; Roesky, Herbert W.","The divergent reactivity of β-diketiminato aluminium hydrides with organophosphoryl compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3827","3832","10.1039/d4dt03397c","","","0.71073","MoKα","","0.0962","0.0517","","","0.1159","0.141","","","","","","1.041","","","","has coordinates","298929","2025-04-05","03:18:48",""
"7717865","9.6913","0.0004","17.2251","0.0006","20.4705","0.0007","90","","90","","90","","3417.2","0.2","150","2","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H55 Al N2 O2 -","- C35 H55 Al N2 O2 -","- C140 H220 Al4 N8 O8 -","4","1","","Ding, Yi; Ma, Yinghua; Tang, Yongheng; Fu, Yang; Wan, Jiayi; Xu, Zhiyuan; He, Yifei; Shi, Zhenhai; Nazish, Mohd; Wu, Peng; Roesky, Herbert W.","The divergent reactivity of β-diketiminato aluminium hydrides with organophosphoryl compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3827","3832","10.1039/d4dt03397c","","","1.54178","CuKα","","0.068","0.0452","","","0.1193","0.1269","","","","","","1.058","","","","has coordinates,has disorder","298929","2025-04-05","03:18:48",""
"7717866","21.5775","0.0007","24.3473","0.0007","16.4561","0.0005","90","","90","","90","","8645.3","0.5","150","","150","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C41 H51 Al N2 O2 -","- C41 H51 Al N2 O2 -","- C328 H408 Al8 N16 O16 -","8","0.5","","Ding, Yi; Ma, Yinghua; Tang, Yongheng; Fu, Yang; Wan, Jiayi; Xu, Zhiyuan; He, Yifei; Shi, Zhenhai; Nazish, Mohd; Wu, Peng; Roesky, Herbert W.","The divergent reactivity of β-diketiminato aluminium hydrides with organophosphoryl compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3827","3832","10.1039/d4dt03397c","","","1.54178","CuKα","","0.1407","0.1148","","","0.2459","0.2631","","","","","","0.677","","","","has coordinates","298929","2025-04-05","03:18:48",""
"7717867","12.649","0.0005","17.5672","0.0006","21.3436","0.0009","90","","92.099","0.004","90","","4739.5","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H61 Al N2 O2 P2 -","- C53 H61 Al N2 O2 P2 -","- C212 H244 Al4 N8 O8 P8 -","4","1","","Ding, Yi; Ma, Yinghua; Tang, Yongheng; Fu, Yang; Wan, Jiayi; Xu, Zhiyuan; He, Yifei; Shi, Zhenhai; Nazish, Mohd; Wu, Peng; Roesky, Herbert W.","The divergent reactivity of β-diketiminato aluminium hydrides with organophosphoryl compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3827","3832","10.1039/d4dt03397c","","x-ray","0.71073","MoKα","","0.0834","0.0506","","","0.1153","0.1324","","","","","","1.041","","","","has coordinates","298929","2025-04-05","03:18:48",""
"7717868","11.6097","0.0007","19.6492","0.001","21.1472","0.0013","90","","94.372","0.002","90","","4810.1","0.5","150","2","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H62 Al N3 O2 P2 -","- C53 H62 Al N3 O2 P2 -","- C212 H248 Al4 N12 O8 P8 -","4","2","","Ding, Yi; Ma, Yinghua; Tang, Yongheng; Fu, Yang; Wan, Jiayi; Xu, Zhiyuan; He, Yifei; Shi, Zhenhai; Nazish, Mohd; Wu, Peng; Roesky, Herbert W.","The divergent reactivity of β-diketiminato aluminium hydrides with organophosphoryl compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3827","3832","10.1039/d4dt03397c","","","0.71073","MoKα","","0.0638","0.0462","","","0.1025","0.1146","","","","","","1.062","","","","has coordinates","298929","2025-04-05","03:18:48",""
"7717869","11.9132","0.0003","18.4956","0.0004","21.505","0.0005","90","","100.717","0.001","90","","4655.8","0.19","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H20 F21 N2 O6 S3 Sm -","- C42 H20 F21 N2 O6 S3 Sm -","- C168 H80 F84 N8 O24 S12 Sm4 -","4","1","","Metlina, Daria A.; Metlin, Mikhail T.; Korshunov, Vladislav M.; Gontcharenko, Victoria E.; Avetisov, Roman I.; Kiskin, Mikhail A.; Belousov, Yuriy A.; Taydakov, Ilya V.","Exploring the luminescent and thermometric potentials of samarium(III) diketonate complexes with extended fluoroalkyl chains.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3812","3826","10.1039/d4dt03262d","","","0.71073","MoKα","","0.0743","0.0541","","","0.1296","0.1407","","","","","","1.031","","","","has coordinates,has disorder","298922","2025-04-05","03:17:08",""
"7717870","11.5607","0.0007","14.8128","0.0009","15.9771","0.0009","100.744","0.002","101.341","0.002","103.867","0.002","2524.8","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H20 F27 N2 O6 S3 Sm -","- C45 H20 F27 N2 O6 S3 Sm -","- C90 H40 F54 N4 O12 S6 Sm2 -","2","1","","Metlina, Daria A.; Metlin, Mikhail T.; Korshunov, Vladislav M.; Gontcharenko, Victoria E.; Avetisov, Roman I.; Kiskin, Mikhail A.; Belousov, Yuriy A.; Taydakov, Ilya V.","Exploring the luminescent and thermometric potentials of samarium(III) diketonate complexes with extended fluoroalkyl chains.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3812","3826","10.1039/d4dt03262d","","","0.71073","MoKα","","0.0829","0.0622","","","0.1039","0.1104","","","","","","1.082","","","","has coordinates,has disorder","298922","2025-04-05","03:17:08",""
"7717871","20.52","0.003","18.988","0.003","32.676","0.004","90","","90","","90","","12732","3","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H20 F45 N2 O6 S3 Sm -","- C54 H20 F45 N2 O6 S3 Sm -","- C432 H160 F360 N16 O48 S24 Sm8 -","8","1","","Metlina, Daria A.; Metlin, Mikhail T.; Korshunov, Vladislav M.; Gontcharenko, Victoria E.; Avetisov, Roman I.; Kiskin, Mikhail A.; Belousov, Yuriy A.; Taydakov, Ilya V.","Exploring the luminescent and thermometric potentials of samarium(III) diketonate complexes with extended fluoroalkyl chains.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3812","3826","10.1039/d4dt03262d","","","0.71073","MoKα","","0.1519","0.1238","","","0.2609","0.2774","","","","","","1.143","","","","has coordinates,has disorder","298922","2025-04-05","03:17:08",""
"7717872","8.8358","0.0001","9.0954","0.0002","14.2686","0.0002","94.49","0.001","97.731","0.001","97.231","0.001","1121.94","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 N2 Ni S4 -","- C48 H68 N2 Ni S4 -","- C48 H68 N2 Ni S4 -","1","0.5","","Luff, Martin Simon; Corsei, Celine Sophie; Radius, Udo","On the reactivity of complexes [Ni(NHC)<sub>2</sub>] with CS<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3750","3758","10.1039/d4dt03497j","","","1.54184","CuKα","","0.0304","0.0299","","","0.0804","0.0808","","","","","","1.037","","","","has coordinates","298924","2025-04-05","03:17:33",""
"7717873","9.0263","0.0001","13.7112","0.0002","18.5262","0.0003","90","","90","","90","","2292.83","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 N4 Ni S2 -","- C19 H32 N4 Ni S2 -","- C76 H128 N16 Ni4 S8 -","4","1","","Luff, Martin Simon; Corsei, Celine Sophie; Radius, Udo","On the reactivity of complexes [Ni(NHC)<sub>2</sub>] with CS<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3750","3758","10.1039/d4dt03497j","","","1.54184","CuKα","","0.0381","0.0363","","","0.0928","0.0952","","","","","","1.06","","","","has coordinates","298924","2025-04-05","03:17:33",""
"7717874","19.3569","0.0001","9.705","","17.7368","0.0001","90","","93.797","0.001","90","","3324.7","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H49 N4 Ni S2 -","- C32 H49 N4 Ni S2 -","- C128 H196 N16 Ni4 S8 -","4","1","","Luff, Martin Simon; Corsei, Celine Sophie; Radius, Udo","On the reactivity of complexes [Ni(NHC)<sub>2</sub>] with CS<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3750","3758","10.1039/d4dt03497j","","","1.54184","CuKα","","0.0314","0.0306","","","0.0777","0.0782","","","","","","1.036","","","","has coordinates","298924","2025-04-05","03:17:33",""
"7717875","12.5344","0.0002","25.5188","0.0002","25.8877","0.0002","89.819","0.001","84.555","0.001","77.098","0.001","8033.65","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C175 H207 N8 Ni4 S8 -","- C175 H207 N8 Ni4 S8 -","- C350 H414 N16 Ni8 S16 -","2","1","","Luff, Martin Simon; Corsei, Celine Sophie; Radius, Udo","On the reactivity of complexes [Ni(NHC)<sub>2</sub>] with CS<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3750","3758","10.1039/d4dt03497j","","","1.54184","CuKα","","0.0485","0.0436","","","0.1189","0.1229","","","","","","1.03","","","","has coordinates","298924","2025-04-05","03:17:33",""
"7717876","9.4422","0.0016","18.041","0.003","12.769","0.002","90","","126.539","0.002","90","","1747.6","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H58 N6 O4 P4 -","- C26 H58 N6 O4 P4 -","- C52 H116 N12 O8 P8 -","2","0.5","","Goyal, Manu; Negi, Chandrakala; Garg, Nitish Kumar; Jain, Shalender; Singh, Sanjay","Reactions of chalcogens and borane with phosphazane macrocycles assembled from diethanolamine and P<sub>2</sub>N<sub>2</sub> building blocks.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4089","4095","10.1039/d4dt03229b","","","0.71073","MOKα","","0.0682","0.0636","","","0.1891","0.1919","","","","","","1.098","","","","has coordinates","300763","2025-07-06","15:28:40",""
"7717877","9.4889","0.0007","17.3728","0.0011","16.2634","0.001","90","","93.963","0.006","90","","2674.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H80 B6 Cl4 N6 O4 P4 -","- C28 H80 B6 Cl4 N6 O4 P4 -","- C56 H160 B12 Cl8 N12 O8 P8 -","2","0.5","","Goyal, Manu; Negi, Chandrakala; Garg, Nitish Kumar; Jain, Shalender; Singh, Sanjay","Reactions of chalcogens and borane with phosphazane macrocycles assembled from diethanolamine and P<sub>2</sub>N<sub>2</sub> building blocks.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4089","4095","10.1039/d4dt03229b","","x-ray","0.71073","MoKα","","0.1069","0.0801","","","0.2126","0.2466","","","","","","1.058","","","","has coordinates,has disorder","300763","2025-07-06","15:28:41",""
"7717878","9.4064","0.0005","9.6314","0.0006","12.6177","0.0007","74.121","0.005","82.724","0.005","83.213","0.005","1086.46","0.11","250.01","0.1","250.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H62 N6 O4 P4 -","- C36 H62 N6 O4 P4 -","- C36 H62 N6 O4 P4 -","1","0.5","","Goyal, Manu; Negi, Chandrakala; Garg, Nitish Kumar; Jain, Shalender; Singh, Sanjay","Reactions of chalcogens and borane with phosphazane macrocycles assembled from diethanolamine and P<sub>2</sub>N<sub>2</sub> building blocks.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4089","4095","10.1039/d4dt03229b","","x-ray","0.71073","MoKα","","0.1129","0.0813","","","0.2108","0.2518","","","","","","1.061","","","","has coordinates,has disorder","300763","2025-07-06","15:28:41",""
"7717879","13.0929","0.0008","13.8043","0.0007","16.9771","0.0013","90","","111.913","0.008","90","","2846.7","0.4","200","0.1","200","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 D12 N6 O4 P4 Se4 -","- C48 H62 D12 N6 O4 P4 Se4 -","- C96 H124 D24 N12 O8 P8 Se8 -","2","0.5","","Goyal, Manu; Negi, Chandrakala; Garg, Nitish Kumar; Jain, Shalender; Singh, Sanjay","Reactions of chalcogens and borane with phosphazane macrocycles assembled from diethanolamine and P<sub>2</sub>N<sub>2</sub> building blocks.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4089","4095","10.1039/d4dt03229b","","","0.71073","MoKα","","0.071","0.0516","","","0.1413","0.162","","","","","","1.087","","","","has coordinates","300763","2025-07-06","15:28:41",""
"7717880","14.2255","0.0007","15.0529","0.0007","15.8213","0.0008","94.818","0.004","99.23","0.004","115.342","0.004","2977.7","0.3","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H84 Cl2 N6 O14 P4 -","- C48 H84 Cl2 N6 O14 P4 -","- C96 H168 Cl4 N12 O28 P8 -","2","1","","Goyal, Manu; Negi, Chandrakala; Garg, Nitish Kumar; Jain, Shalender; Singh, Sanjay","Reactions of chalcogens and borane with phosphazane macrocycles assembled from diethanolamine and P<sub>2</sub>N<sub>2</sub> building blocks.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4089","4095","10.1039/d4dt03229b","","","0.71073","MoKα","","0.1019","0.0716","","","0.1884","0.2351","","","","","","1.053","","","","has coordinates,has disorder","300763","2025-07-06","15:28:41",""
"7717881","11.1063","0.0001","8.7689","0.0002","7.4281","0.0002","90","","90","","90","","723.42","0.03","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- F4 Mn O3 P Rb2 -","- F4 Mn O3 P Rb2 -","- F16 Mn4 O12 P4 Rb8 -","4","0.5","","Cheng, Xiedong; Li, Feifan; Huang, Qingqing; Pereira, Laura C. J.; Cui, Rui; Li, Yaping; Lü, Minfeng","Synthesis, structures, and magnetic properties of alkali metal manganese(III) fluorophosphates containing low-dimensional <i>S</i> = 2 spin structures.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3486","3499","10.1039/d4dt02768j","","x-ray","0.71073","MoKα","","0.0701","0.0606","","","0.1047","0.1055","","","","3.94","3.94","3.59","","","","has coordinates","298261","2025-03-04","20:15:07",""
"7717882","6.1966","0.0003","9.8711","0.0004","16.0798","0.0007","90","","91.609","0.003","90","","983.17","0.08","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F4 Mn2 O7 P2 Rb2 -","- F4 Mn2 O7 P2 Rb2 -","- F16 Mn8 O28 P8 Rb8 -","4","1","","Cheng, Xiedong; Li, Feifan; Huang, Qingqing; Pereira, Laura C. J.; Cui, Rui; Li, Yaping; Lü, Minfeng","Synthesis, structures, and magnetic properties of alkali metal manganese(III) fluorophosphates containing low-dimensional <i>S</i> = 2 spin structures.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3486","3499","10.1039/d4dt02768j","","x-ray","0.71073","MoKα","","0.0778","0.0638","","","0.0993","0.1011","","","","3.39","3.39","3.09","","","","has coordinates","298261","2025-03-04","20:15:08",""
"7717883","9.6988","0.0007","11.7347","0.0007","10.0181","0.0006","90","","90","","90","","1140.19","0.13","293","","293","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- Cs F3 Mn O3 P -","- Cs F3 Mn O3 P -","- Cs8 F24 Mn8 O24 P8 -","8","1","","Cheng, Xiedong; Li, Feifan; Huang, Qingqing; Pereira, Laura C. J.; Cui, Rui; Li, Yaping; Lü, Minfeng","Synthesis, structures, and magnetic properties of alkali metal manganese(III) fluorophosphates containing low-dimensional <i>S</i> = 2 spin structures.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3486","3499","10.1039/d4dt02768j","","x-ray","0.71073","MoKα","","0.1178","0.1175","","","0.2058","0.206","","","","3.8","3.8","3.79","","","","has coordinates","298261","2025-03-04","20:15:08",""
"7717884","6.8281","0.0001","7.4025","0.0001","13.1234","0.0002","90","","97.0721","0.0006","90","","658.276","0.017","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F4 K2 Mn O3 P -","- F4 K2 Mn O3 P -","- F16 K8 Mn4 O12 P4 -","4","1","","Cheng, Xiedong; Li, Feifan; Huang, Qingqing; Pereira, Laura C. J.; Cui, Rui; Li, Yaping; Lü, Minfeng","Synthesis, structures, and magnetic properties of alkali metal manganese(III) fluorophosphates containing low-dimensional <i>S</i> = 2 spin structures.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3486","3499","10.1039/d4dt02768j","","x-ray","0.71073","MoKα","","0.0384","0.0346","","","0.0496","0.0501","","","","3.24","3.24","3.1","","","","has coordinates","298261","2025-03-04","20:15:08",""
"7717885","15.1995","0.0005","8.8207","0.0002","12.1813","0.0003","90","","114.201","0.002","90","","1489.62","0.07","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- F7 Mn3 O10 P3 Rb3 -","- F7 Mn3 O10 P3 Rb3 -","- F28 Mn12 O40 P12 Rb12 -","4","1","","Cheng, Xiedong; Li, Feifan; Huang, Qingqing; Pereira, Laura C. J.; Cui, Rui; Li, Yaping; Lü, Minfeng","Synthesis, structures, and magnetic properties of alkali metal manganese(III) fluorophosphates containing low-dimensional <i>S</i> = 2 spin structures.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3486","3499","10.1039/d4dt02768j","","x-ray","0.71073","MoKα","","0.0858","0.0669","","","0.07","0.0718","","","","2.4","2.4","2.17","","","","has coordinates","298261","2025-03-04","20:15:08",""
"7717886","9.7686","0.0002","27.1132","0.0006","12.3737","0.0003","90","","90","","90","","3277.27","0.13","99.98","","99.98","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H35 Cl2 P Ru Si -","- C30 H35 Cl2 P Ru Si -","- C120 H140 Cl8 P4 Ru4 Si4 -","4","1","","Sahoo, Amiya Kumar; Dash, Rageshree; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Doddi, Adinarayana","Cationic and neutral ruthenium(II) complexes bearing silyl-phosphines: synthesis, structures, and catalytic studies in selective hydroboration of carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4312","4323","10.1039/d4dt03550j","","x-ray","1.54184","CuKα","","0.0793","0.0746","","","0.1957","0.1995","","","","","","1.087","","","","has coordinates","300766","2025-07-06","15:29:21",""
"7717887","9.6071","0.0002","13.6074","0.0002","15.4123","0.0003","92.904","0.001","94.883","0.001","102.109","0.002","1957.97","0.06","100","0.2","100","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H43 Cl F6 N P2 Ru Si -","- C36 H43 Cl F6 N P2 Ru Si -","- C72 H86 Cl2 F12 N2 P4 Ru2 Si2 -","2","1","","Sahoo, Amiya Kumar; Dash, Rageshree; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Doddi, Adinarayana","Cationic and neutral ruthenium(II) complexes bearing silyl-phosphines: synthesis, structures, and catalytic studies in selective hydroboration of carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4312","4323","10.1039/d4dt03550j","","x-ray","1.54184","CuKα","","0.0469","0.0467","","","0.1248","0.1252","","","","","","1.038","","","","has coordinates","300766","2025-07-06","15:29:31",""
"7717888","7.4978","0.0001","20.0084","0.0002","24.0485","0.0003","90","","90","","90","","3607.73","0.08","99.97","","99.97","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 P Si -","- C20 H21 P Si -","- C160 H168 P8 Si8 -","8","2","","Sahoo, Amiya Kumar; Dash, Rageshree; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Doddi, Adinarayana","Cationic and neutral ruthenium(II) complexes bearing silyl-phosphines: synthesis, structures, and catalytic studies in selective hydroboration of carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4312","4323","10.1039/d4dt03550j","","x-ray","1.54184","CuKα","","0.0414","0.0391","","","0.1002","0.102","","","","","","1.075","","","","has coordinates","300766","2025-07-06","15:29:31",""
"7717889","10.6049","0.0002","23.5234","0.0004","13.456","0.0002","90","","95.06","0.002","90","","3343.7","0.1","250","6","250","6","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 Cl4 O P Ru Si -","- C31 H37 Cl4 O P Ru Si -","- C124 H148 Cl16 O4 P4 Ru4 Si4 -","4","1","","Sahoo, Amiya Kumar; Dash, Rageshree; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Doddi, Adinarayana","Cationic and neutral ruthenium(II) complexes bearing silyl-phosphines: synthesis, structures, and catalytic studies in selective hydroboration of carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4312","4323","10.1039/d4dt03550j","","x-ray","1.54184","CuKα","","0.0514","0.0496","","","0.1293","0.131","","","","","","1.02","","","","has coordinates","300766","2025-07-06","15:29:31",""
"7717890","18.7334","0.0002","8.7954","0.0001","19.4148","0.0002","90","","109.467","0.001","90","","3016.06","0.06","100.03","","100.03","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H44.5 Cl O P Ru Si -","- C30 H34 Cl O P Ru Si -","- C120 H136 Cl4 O4 P4 Ru4 Si4 -","4","1","","Sahoo, Amiya Kumar; Dash, Rageshree; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Doddi, Adinarayana","Cationic and neutral ruthenium(II) complexes bearing silyl-phosphines: synthesis, structures, and catalytic studies in selective hydroboration of carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4312","4323","10.1039/d4dt03550j","","x-ray","1.54184","CuKα","","0.07","0.0675","","","0.2071","0.2106","","","","","","1.088","","","","has coordinates","300766","2025-07-06","15:29:31",""
"7717891","8.384","0.0016","8.384","0.0016","23.021","0.006","90","","90","","120","","1401.4","0.5","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H15 Mn3 N9 O18 -","- C15 H15 Mn3 N9 O18 -","- C30 H30 Mn6 N18 O36 -","2","0.0555556","","Hazarika, Uddit Narayan; Pegu, Anisha; Devi, Shrutipriya; Konwer, Surajit; Singh, Moirangthem Kameshwor; Gogoi, Simi; Pegu, Mintumoni; Khakhlary, Prithiviraj","An anionic metal-organic framework and its r-graphene oxide composite for selective adsorption and separation of methyl blue from aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4112","4119","10.1039/d4dt03471f","","","0.71073","MoKα","","0.073","0.0729","","","0.1999","0.2","","","","","","1.262","","","","has coordinates","300760","2025-07-06","15:27:01",""
"7717892","9.9278","0.0005","14.8243","0.0008","17.6465","0.001","104.209","0.003","91.481","0.003","94.206","0.003","2508.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 B N6 O4 -","- C28 H25 B N6 O4 -","- C112 H100 B4 N24 O16 -","4","2","","Tharmalingam, Balamurugan; Kishore Kumar, Rajendran; Anitha, Ottoor; Kaminsky, Werner; Malecki, Jan Grzegorz; Murugesapandian, Balasubramanian","Tetra-coordinated organoboron complexes with triaminoguanidine-salicylidene based ligands: aggregation induced enhanced emission and mechanoresponsive features.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3897","3910","10.1039/d4dt03217a","","x-ray","0.71073","MoKα","","0.1012","0.065","","","0.1467","0.1665","","","","","","1.024","","","","has coordinates","298928","2025-04-05","03:18:31",""
"7717893","11.3918","0.0007","11.997","0.0008","13.9478","0.0008","75.157","0.003","89.324","0.003","79.11","0.004","1808.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H36 B N7 O4 -","- C43 H36 B N7 O4 -","- C86 H72 B2 N14 O8 -","2","1","","Tharmalingam, Balamurugan; Kishore Kumar, Rajendran; Anitha, Ottoor; Kaminsky, Werner; Malecki, Jan Grzegorz; Murugesapandian, Balasubramanian","Tetra-coordinated organoboron complexes with triaminoguanidine-salicylidene based ligands: aggregation induced enhanced emission and mechanoresponsive features.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3897","3910","10.1039/d4dt03217a","","x-ray","0.71073","MoKα","","0.0675","0.0424","","","0.0989","0.1133","","","","","","1.03","","","","has coordinates","298928","2025-04-05","03:18:31",""
"7717894","12.1862","0.0005","28.1636","0.0012","10.6937","0.0005","90","","107.529","0.004","90","","3499.7","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 B N8 O7 -","- C35 H37 B N8 O7 -","- C140 H148 B4 N32 O28 -","4","1","","Tharmalingam, Balamurugan; Kishore Kumar, Rajendran; Anitha, Ottoor; Kaminsky, Werner; Malecki, Jan Grzegorz; Murugesapandian, Balasubramanian","Tetra-coordinated organoboron complexes with triaminoguanidine-salicylidene based ligands: aggregation induced enhanced emission and mechanoresponsive features.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3897","3910","10.1039/d4dt03217a","","x-ray","0.71073","MoKα","","0.1089","0.0596","","","0.1238","0.1445","","","","","","1.026","","","","has coordinates","298928","2025-04-05","03:18:31",""
"7717895","14.3032","0.0013","14.3886","0.0014","14.4404","0.0014","93.878","0.004","113.614","0.004","90.966","0.005","2713.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H75.5 B N7.5 O3 -","- C54.998 H75.497 B N7.499 O3 -","- C109.996 H150.994 B2 N14.998 O6 -","2","1","","Tharmalingam, Balamurugan; Kishore Kumar, Rajendran; Anitha, Ottoor; Kaminsky, Werner; Malecki, Jan Grzegorz; Murugesapandian, Balasubramanian","Tetra-coordinated organoboron complexes with triaminoguanidine-salicylidene based ligands: aggregation induced enhanced emission and mechanoresponsive features.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3897","3910","10.1039/d4dt03217a","","x-ray","0.71073","MoKα","","0.1448","0.0704","","","0.1644","0.201","","","","","","1.013","","","","has coordinates,has disorder","298928","2025-04-05","03:18:31",""
"7717896","13.9824","0.0009","19.1267","0.0012","20.5066","0.0013","90.406","0.004","108.715","0.003","90.449","0.003","5193.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H53 B2 N9 O3 -","- C46 H53 B2 N9 O3 -","- C184 H212 B8 N36 O12 -","4","2","","Tharmalingam, Balamurugan; Kishore Kumar, Rajendran; Anitha, Ottoor; Kaminsky, Werner; Malecki, Jan Grzegorz; Murugesapandian, Balasubramanian","Tetra-coordinated organoboron complexes with triaminoguanidine-salicylidene based ligands: aggregation induced enhanced emission and mechanoresponsive features.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3897","3910","10.1039/d4dt03217a","","x-ray","0.71073","MoKα","","0.1011","0.0682","","","0.187","0.2119","","","","","","1.047","","","","has coordinates,has disorder","298928","2025-04-05","03:18:31",""
"7717897","16.662","0.002","12.3619","0.0016","17.649","0.002","90","","90","","90","","3635.2","0.8","180","2","180","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C31 H34 F6 N6 Ni O9 S2 -","- C31 H34 F6 N6 Ni O9 S2 -","- C124 H136 F24 N24 Ni4 O36 S8 -","4","1","","Boothe, Robert; Oppelt, Julian; Franke, Alicja; Moore, Jamonica L.; Squarcina, Andrea; Zahl, Achim; Senft, Laura; Kellner, Ina; Awalah, Akudo L.; Bradford, Alisabeth; Obisesan, Segun V.; Schwartz, Dean D.; Ivanović-Burmazović, Ivana; Goldsmith, Christian R.","Nickel(II) complexes with covalently attached quinols rely on ligand-derived redox couples to catalyze superoxide dismutation.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3733","3749","10.1039/d4dt03331k","","","0.71073","MoKα","","0.0949","0.062","","","0.1069","0.1175","","","","","","1.117","","","","has coordinates","298921","2025-04-05","03:16:53",""
"7717898","12.8113","0.0006","17.4024","0.0009","20.1442","0.001","90","","90","","90","","4491.1","0.4","180.45","","180.45","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 F6 N8 Ni O10 S2 -","- C38 H42 F6 N8 Ni O10 S2 -","- C152 H168 F24 N32 Ni4 O40 S8 -","4","1","","Boothe, Robert; Oppelt, Julian; Franke, Alicja; Moore, Jamonica L.; Squarcina, Andrea; Zahl, Achim; Senft, Laura; Kellner, Ina; Awalah, Akudo L.; Bradford, Alisabeth; Obisesan, Segun V.; Schwartz, Dean D.; Ivanović-Burmazović, Ivana; Goldsmith, Christian R.","Nickel(II) complexes with covalently attached quinols rely on ligand-derived redox couples to catalyze superoxide dismutation.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3733","3749","10.1039/d4dt03331k","","","0.71073","MoKα","","0.0764","0.073","","","0.1469","0.1496","","","","","","1.0429","","","","has coordinates","298921","2025-04-05","03:16:53",""
"7717899","6.2636","0.0002","9.1707","0.0003","18.6096","0.0006","91.745","0.003","91.755","0.002","94.665","0.003","1064.34","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H34 B N3 O2 Si2 -","- C16 H34 B N3 O2 Si2 -","- C32 H68 B2 N6 O4 Si4 -","2","1","","Dotzauer, Simon; Kar, Sourav; Swoboda, Theresa; Weidemann, Christoph; Häfner, Andreas; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of base-free boriranes and their conversion to borirenes using strong reductant.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3857","3862","10.1039/d5dt00069f","","x-ray","1.54184","CuKα","K-L~2,3~","0.0647","0.0505","","","0.1338","0.1407","","","","","","1.086","","","","has coordinates,has disorder","298915","2025-04-05","03:14:41",""
"7717900","12.2086","0.0003","11.1581","0.0002","16.0725","0.0003","90","","105.649","0.002","90","","2108.31","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 B N3 -","- C21 H38 B N3 -","- C84 H152 B4 N12 -","4","1","","Dotzauer, Simon; Kar, Sourav; Swoboda, Theresa; Weidemann, Christoph; Häfner, Andreas; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of base-free boriranes and their conversion to borirenes using strong reductant.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3857","3862","10.1039/d5dt00069f","","x-ray","1.54184","CuKα","K-L~2,3~","0.0494","0.0412","","","0.1057","0.1107","","","","","","1.058","","","","has coordinates","298915","2025-04-05","03:14:41",""
"7717901","18.5782","0.0005","13.3262","0.0004","8.4378","0.0002","90","","90","","90","","2089","0.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H38 B N3 -","- C21 H38 B N3 -","- C84 H152 B4 N12 -","4","1","","Dotzauer, Simon; Kar, Sourav; Swoboda, Theresa; Weidemann, Christoph; Häfner, Andreas; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of base-free boriranes and their conversion to borirenes using strong reductant.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3857","3862","10.1039/d5dt00069f","","x-ray","1.54184","CuKα","K-L~2,3~","0.0399","0.0352","","","0.0794","0.0817","","","","","","1.046","","","","has coordinates","298915","2025-04-05","03:14:41",""
"7717902","16.7432","0.0001","16.7432","0.0001","21.9277","0.0001","90","","90","","90","","6147.1","0.06","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C27 H56 B N3 Sn2 -","- C27 H56 B N3 Sn2 -","- C216 H448 B8 N24 Sn16 -","8","0.5","","Dotzauer, Simon; Kar, Sourav; Swoboda, Theresa; Weidemann, Christoph; Häfner, Andreas; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of base-free boriranes and their conversion to borirenes using strong reductant.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3857","3862","10.1039/d5dt00069f","","x-ray","1.54184","CuKα","K-L~2,3~","0.0338","0.0331","","","0.0978","0.0989","","","","","","1.035","","","","has coordinates","298915","2025-04-05","03:14:41",""
"7717903","6.3822","0.0001","8.0412","0.0001","39.2727","0.0006","90","","90","","90","","2015.5","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H34 B N3 O2 -","- C19 H34 B N3 O2 -","- C76 H136 B4 N12 O8 -","4","1","","Dotzauer, Simon; Kar, Sourav; Swoboda, Theresa; Weidemann, Christoph; Häfner, Andreas; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of base-free boriranes and their conversion to borirenes using strong reductant.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3857","3862","10.1039/d5dt00069f","","x-ray","1.54184","CuKα","K-L~2,3~","0.0435","0.0371","","","0.0904","0.0931","","","","","","1.06","","","","has coordinates","298915","2025-04-05","03:14:41",""
"7717904","13.8317","0.0002","11.3154","0.0001","19.071","0.0002","90","","97.647","0.001","90","","2958.28","0.06","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H50 B2 N4 Sn2 -","- C22 H50 B2 N4 Sn2 -","- C88 H200 B8 N16 Sn8 -","4","0.5","","Dotzauer, Simon; Kar, Sourav; Swoboda, Theresa; Weidemann, Christoph; Häfner, Andreas; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of base-free boriranes and their conversion to borirenes using strong reductant.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3857","3862","10.1039/d5dt00069f","","x-ray","1.54184","CuKα","K-L~2,3~","0.0381","0.0375","","","0.1058","0.1066","","","","","","1.088","","","","has coordinates","298915","2025-04-05","03:14:41",""
"7717905","10.0457","0.0001","16.5158","0.0001","18.3308","0.0001","90","","98.174","0.001","90","","3010.42","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H52 B N3 O2 Sn2 -","- C25 H52 B N3 O2 Sn2 -","- C100 H208 B4 N12 O8 Sn8 -","4","1","","Dotzauer, Simon; Kar, Sourav; Swoboda, Theresa; Weidemann, Christoph; Häfner, Andreas; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of base-free boriranes and their conversion to borirenes using strong reductant.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3857","3862","10.1039/d5dt00069f","","x-ray","1.54184","CuKα","K-L~2,3~","0.0231","0.0221","","","0.0547","0.0553","","","","","","1.069","","","","has coordinates","298915","2025-04-05","03:14:41",""
"7717906","13.6926","0.0006","20.8222","0.0009","22.0394","0.0009","90","","96.374","0.004","90","","6244.8","0.5","170.01","0.1","170.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H94 B N Na O10 -","- C65 H94 B N Na O10 -","- C260 H376 B4 N4 Na4 O40 -","4","1","","Yuan, Ningning; Zhu, Tingchun; Ma, Jianping; Xue, Yunsheng; Liu, Yirui","An isolable boron-centered radical anion stabilized by a carbazole moiety.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2257","2260","10.1039/d4dt03314k","","x-ray","1.54184","CuKα","","0.142","0.1081","","","0.3218","0.3747","","","","","","1.36","","","","has coordinates,has disorder","298895","2025-04-05","03:00:15",""
"7717907","11.9111","0.0001","11.9111","0.0001","11.9111","0.0001","90","","90","","90","","1689.88","0.02","299","2","299","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- B12 Na2 Se18 Si6 -","- B12 Na2 Se18 Si6 -","- B24 Na4 Se36 Si12 -","2","0.0416667","","Panigrahi, Gopabandhu; Tisdale, Hunter B.; Morrison, Gregory; Zur Loye, Hans-Conrad","Na<sub>2</sub>B<sub>12</sub>Si<sub>6</sub>Se<sub>18</sub>: a novel B<sub>12</sub>-cluster-containing quaternary selenoborate framework material.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1956","1963","10.1039/d4dt03139c","","","0.71073","MoKα","","0.0224","0.0195","","","0.0449","0.0461","","","","","","1.076","","","","has coordinates","297506","2025-01-28","23:54:37",""
"7717908","17.9178","0.0006","18.9524","0.0006","8.6109","0.0003","90","","91.401","0.002","90","","2923.26","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 N2 Ti -","- C37 H50 N2 Ti -","- C148 H200 N8 Ti4 -","4","1","","Eilers, Marcel; Bültena, Saskia; Schwitalla, Kevin; Schmidtmann, Marc; Beckhaus, Rüdiger","Synthesis, characterization and functionalization of titanium κ<sup>1</sup><i>N</i> amidinato complexes from carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1972","1979","10.1039/d4dt03261f","","","1.54178","CuKα","","0.0549","0.0393","","","0.091","0.0976","","","","","","1.035","","","","has coordinates,has disorder","297507","2025-01-28","23:56:57",""
"7717909","9.1467","0.0008","18.2623","0.0017","21.447","0.002","90","","92.118","0.004","90","","3580.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 Cl N3 Ti -","- C44 H54 Cl N3 Ti -","- C176 H216 Cl4 N12 Ti4 -","4","1","","Eilers, Marcel; Bültena, Saskia; Schwitalla, Kevin; Schmidtmann, Marc; Beckhaus, Rüdiger","Synthesis, characterization and functionalization of titanium κ<sup>1</sup><i>N</i> amidinato complexes from carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1972","1979","10.1039/d4dt03261f","","","0.71073","MoKα","","0.05","0.042","","","0.0984","0.1019","","","","","","1.118","","","","has coordinates","297507","2025-01-28","23:56:59",""
"7717910","14.256","0.0005","16.1873","0.0006","22.3006","0.0008","106.082","0.002","101.057","0.002","91.973","0.003","4832.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C59.5 H69 N2 Ti -","- C59.5 H69 N2 Ti -","- C238 H276 N8 Ti4 -","4","2","","Eilers, Marcel; Bültena, Saskia; Schwitalla, Kevin; Schmidtmann, Marc; Beckhaus, Rüdiger","Synthesis, characterization and functionalization of titanium κ<sup>1</sup><i>N</i> amidinato complexes from carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1972","1979","10.1039/d4dt03261f","","","1.54178","CuKα","","0.0627","0.0453","","","0.1093","0.1189","","","","","","1.021","","","","has coordinates,has disorder","297507","2025-01-28","23:57:00",""
"7717911","34.7739","0.0009","34.7739","0.0009","10.5045","0.0003","90","","90","","90","","12702.3","0.6","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C39 H53 N3 Ti -","- C39 H53 N3 Ti -","- C624 H848 N48 Ti16 -","16","1","","Eilers, Marcel; Bültena, Saskia; Schwitalla, Kevin; Schmidtmann, Marc; Beckhaus, Rüdiger","Synthesis, characterization and functionalization of titanium κ<sup>1</sup><i>N</i> amidinato complexes from carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1972","1979","10.1039/d4dt03261f","","","0.71073","MoKα","","0.055","0.0405","","","0.0957","0.1023","","","","","","1.085","","","","has coordinates","297507","2025-01-28","23:57:00",""
"7717912","10.7094","0.0003","14.8769","0.0005","19.1824","0.0006","90.748","0.0017","100.96","0.0016","94.3094","0.0016","2990.8","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H80 D6 N4 Ti -","- C72 H80 D6 N4 Ti -","- C144 H160 D12 N8 Ti2 -","2","1","","Eilers, Marcel; Bültena, Saskia; Schwitalla, Kevin; Schmidtmann, Marc; Beckhaus, Rüdiger","Synthesis, characterization and functionalization of titanium κ<sup>1</sup><i>N</i> amidinato complexes from carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1972","1979","10.1039/d4dt03261f","","","1.54178","CuKα","","0.0455","0.0384","","","0.0964","0.1012","","","","","","1.021","","","","has coordinates","297507","2025-01-28","23:57:01",""
"7717913","10.9348","0.0005","10.6136","0.0005","29.6984","0.0013","90","","100.484","0.003","90","","3389.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H58 N2 Ti -","- C43 H58 N2 Ti -","- C172 H232 N8 Ti4 -","4","1","","Eilers, Marcel; Bültena, Saskia; Schwitalla, Kevin; Schmidtmann, Marc; Beckhaus, Rüdiger","Synthesis, characterization and functionalization of titanium κ<sup>1</sup><i>N</i> amidinato complexes from carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1972","1979","10.1039/d4dt03261f","","","1.54178","CuKα","","0.061","0.0451","","","0.1089","0.1172","","","","","","1.046","","","","has coordinates","297507","2025-01-28","23:57:02",""
"7717914","12.0635","0.0006","12.2468","0.0006","15.7143","0.0008","83.224","0.002","81.978","0.002","62.7942","0.0017","2040.7","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H57 N2 Ti -","- C50 H57 N2 Ti -","- C100 H114 N4 Ti2 -","2","1","","Eilers, Marcel; Bültena, Saskia; Schwitalla, Kevin; Schmidtmann, Marc; Beckhaus, Rüdiger","Synthesis, characterization and functionalization of titanium κ<sup>1</sup><i>N</i> amidinato complexes from carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1972","1979","10.1039/d4dt03261f","","","0.71073","MoKα","","0.0427","0.0365","","","0.1049","0.1099","","","","","","1.099","","","","has coordinates,has disorder","297507","2025-01-28","23:57:02",""
"7717915","10.0711","0.0005","14.4862","0.0009","14.5192","0.0009","118.955","0.002","94.269","0.002","98.537","0.002","1806.53","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H59 N3 Ti -","- C44 H59 N3 Ti -","- C88 H118 N6 Ti2 -","2","1","","Eilers, Marcel; Bültena, Saskia; Schwitalla, Kevin; Schmidtmann, Marc; Beckhaus, Rüdiger","Synthesis, characterization and functionalization of titanium κ<sup>1</sup><i>N</i> amidinato complexes from carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1972","1979","10.1039/d4dt03261f","","","0.71073","MoKα","","0.0575","0.0478","","","0.0992","0.103","","","","","","1.135","","","","has coordinates","297507","2025-01-28","23:57:03",""
"7717916","10.4084","0.0004","10.5144","0.0004","15.5909","0.0006","104.606","0.0017","91.7705","0.0017","95.8688","0.0017","1639.59","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H56 N2 O Ti -","- C40 H56 N2 O Ti -","- C80 H112 N4 O2 Ti2 -","2","1","","Eilers, Marcel; Bültena, Saskia; Schwitalla, Kevin; Schmidtmann, Marc; Beckhaus, Rüdiger","Synthesis, characterization and functionalization of titanium κ<sup>1</sup><i>N</i> amidinato complexes from carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1972","1979","10.1039/d4dt03261f","","","0.71073","MoKα","","0.0554","0.036","","","0.0875","0.0961","","","","","","1.031","","","","has coordinates","297507","2025-01-28","23:57:04",""
"7717917","27.3853","0.0007","9.3969","0.0003","35.9247","0.001","90","","90","","90","","9244.8","0.5","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C54 H64 N4 Ti -","- C54 H64 N4 Ti -","- C432 H512 N32 Ti8 -","8","1","","Eilers, Marcel; Bültena, Saskia; Schwitalla, Kevin; Schmidtmann, Marc; Beckhaus, Rüdiger","Synthesis, characterization and functionalization of titanium κ<sup>1</sup><i>N</i> amidinato complexes from carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1972","1979","10.1039/d4dt03261f","","","1.54178","CuKα","","0.0899","0.0684","","","0.1657","0.1775","","","","","","1.084","","","","has coordinates","297507","2025-01-28","23:57:04",""
"7717918","18.4897","0.0007","10.5066","0.0004","19.5043","0.0007","90","","104.095","0.0013","90","","3674.9","0.2","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H61 N3 Ti -","- C45 H61 N3 Ti -","- C180 H244 N12 Ti4 -","4","1","","Eilers, Marcel; Bültena, Saskia; Schwitalla, Kevin; Schmidtmann, Marc; Beckhaus, Rüdiger","Synthesis, characterization and functionalization of titanium κ<sup>1</sup><i>N</i> amidinato complexes from carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1972","1979","10.1039/d4dt03261f","","","0.71073","MoKα","","0.0773","0.0629","","","0.1373","0.1428","","","","","","1.21","","","","has coordinates,has disorder","297507","2025-01-28","23:57:05",""
"7717919","16.1533","0.0008","17.6468","0.0009","17.4463","0.0009","90","","101.351","0.002","90","","4875.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 N4 Ti -","- C60 H72 N4 Ti -","- C240 H288 N16 Ti4 -","4","1","","Eilers, Marcel; Bültena, Saskia; Schwitalla, Kevin; Schmidtmann, Marc; Beckhaus, Rüdiger","Synthesis, characterization and functionalization of titanium κ<sup>1</sup><i>N</i> amidinato complexes from carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1972","1979","10.1039/d4dt03261f","","","0.71073","MoKα","","0.0489","0.042","","","0.1051","0.1089","","","","","","1.077","","","","has coordinates","297507","2025-01-28","23:57:06",""
"7717920","12.155","0.003","14.292","0.003","16.758","0.004","114.981","0.005","97.046","0.006","101.32","0.006","2517.4","1","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H38 Cl2 Fe N10 S2 -","- C61 H38 Cl2 Fe N10 S2 -","- C122 H76 Cl4 Fe2 N20 S4 -","2","1","","Birara, Sunita; Majumder, Moumita; Metre, Ramesh K.","Bis(formazanate) iron(II) complexes as cathode materials for one-compartment H<sub>2</sub>O<sub>2</sub> fuel cells.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4120","4134","10.1039/d4dt03253e","","","0.71073","MoKα","","0.0923","0.0724","","","0.2009","0.2203","","","","","","1.037","","","","has coordinates","300765","2025-07-06","15:29:07",""
"7717921","11.2395","0.0004","31.2736","0.001","13.8511","0.0005","90","","111.771","0.001","90","","4521.4","0.3","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H34 Cl2 Fe N10 O2 S2 -","- C54 H34 Cl2 Fe N10 O2 S2 -","- C216 H136 Cl8 Fe4 N40 O8 S8 -","4","1","","Birara, Sunita; Majumder, Moumita; Metre, Ramesh K.","Bis(formazanate) iron(II) complexes as cathode materials for one-compartment H<sub>2</sub>O<sub>2</sub> fuel cells.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4120","4134","10.1039/d4dt03253e","","","0.71073","MoKα","","0.0566","0.0401","","","0.0864","0.0964","","","","","","1.04","","","","has coordinates","300765","2025-07-06","15:29:07",""
"7717922","13.7138","0.0013","19.4669","0.0011","8.4058","0.0009","90","","91.348","0.009","90","","2243.4","0.3","98.15","","98.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Cl4 O16 Ru2 -","- C44 H48 Cl4 O16 Ru2 -","- C88 H96 Cl8 O32 Ru4 -","2","0.5","","Kosaka, Wataru; Watanabe, Yudai; Kitayama, Taku; Itoh, Chisa; Miyasaka, Hitoshi","Introduction of substituents for tuning the redox properties of benzoate-bridged paddlewheel diruthenium(II,II) complexes: what does the OH group bring?","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1838","1849","10.1039/d4dt03020f","","x-ray","0.71073","MoKα","","0.1627","0.095","","","0.2456","0.2871","","","","","","1.046","","","","has coordinates","297509","2025-01-28","23:59:38",""
"7717923","13.9686","0.0004","10.5955","0.0003","15.9363","0.0006","90","","93.675","0.003","90","","2353.79","0.13","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 Cl4 O16 Ru2 -","- C44 H48 Cl4 O16 Ru2 -","- C88 H96 Cl8 O32 Ru4 -","2","0.5","","Kosaka, Wataru; Watanabe, Yudai; Kitayama, Taku; Itoh, Chisa; Miyasaka, Hitoshi","Introduction of substituents for tuning the redox properties of benzoate-bridged paddlewheel diruthenium(II,II) complexes: what does the OH group bring?","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1838","1849","10.1039/d4dt03020f","","x-ray","0.71073","MoKα","","0.0354","0.0288","","","0.0691","0.0725","","","","","","1.017","","","","has coordinates,has disorder","297509","2025-01-28","23:59:40",""
"7717924","8.8102","0.0004","10.0823","0.0005","11.2361","0.0005","70.954","0.004","88.666","0.004","80.302","0.004","929.41","0.08","102","","102","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H44 O14 Ru2 -","- C40 H44 O14 Ru2 -","- C40 H44 O14 Ru2 -","1","0.5","","Kosaka, Wataru; Watanabe, Yudai; Kitayama, Taku; Itoh, Chisa; Miyasaka, Hitoshi","Introduction of substituents for tuning the redox properties of benzoate-bridged paddlewheel diruthenium(II,II) complexes: what does the OH group bring?","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1838","1849","10.1039/d4dt03020f","","x-ray","0.71073","MoKα","","0.0686","0.0471","","","0.1064","0.113","","","","","","1.005","","","","has coordinates","297509","2025-01-28","23:59:40",""
"7717925","13.1252","0.0006","21.4303","0.0008","9.2625","0.0005","90","","109.54","0.005","90","","2455.3","0.2","102","","102","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C41.6 H43.2 Cl4 O15.4 Ru2 -","- C36 H32 Cl4 O14 Ru2 -","- C72 H64 Cl8 O28 Ru4 -","2","0.25","","Kosaka, Wataru; Watanabe, Yudai; Kitayama, Taku; Itoh, Chisa; Miyasaka, Hitoshi","Introduction of substituents for tuning the redox properties of benzoate-bridged paddlewheel diruthenium(II,II) complexes: what does the OH group bring?","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1838","1849","10.1039/d4dt03020f","","x-ray","0.71073","MoKα","","0.0681","0.0601","","","0.204","0.2144","","","","","","1.099","","","","has coordinates,has disorder","297509","2025-01-28","23:59:41",""
"7717926","9.1173","0.0005","10.0764","0.0004","11.2003","0.0005","70.963","0.004","89.019","0.004","81.985","0.004","962.75","0.08","102.15","","102.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Br4 O14 Ru2 -","- C36 H32 Br4 O14 Ru2 -","- C36 H32 Br4 O14 Ru2 -","1","0.5","","Kosaka, Wataru; Watanabe, Yudai; Kitayama, Taku; Itoh, Chisa; Miyasaka, Hitoshi","Introduction of substituents for tuning the redox properties of benzoate-bridged paddlewheel diruthenium(II,II) complexes: what does the OH group bring?","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1838","1849","10.1039/d4dt03020f","","x-ray","0.71073","MoKα","","0.0319","0.0268","","","0.0642","0.066","","","","","","1.041","","","","has coordinates","297509","2025-01-28","23:59:41",""
"7717927","8.8418","0.0005","10.0803","0.0003","11.1109","0.0005","70.742","0.004","88.958","0.004","81.456","0.004","924","0.08","102.15","","102.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Cl4 O14 Ru2 -","- C36 H32 Cl4 O14 Ru2 -","- C36 H32 Cl4 O14 Ru2 -","1","0.5","","Kosaka, Wataru; Watanabe, Yudai; Kitayama, Taku; Itoh, Chisa; Miyasaka, Hitoshi","Introduction of substituents for tuning the redox properties of benzoate-bridged paddlewheel diruthenium(II,II) complexes: what does the OH group bring?","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1838","1849","10.1039/d4dt03020f","","x-ray","0.71073","MoKα","","0.0265","0.0237","","","0.0598","0.061","","","","","","1.057","","","","has coordinates","297509","2025-01-28","23:59:42",""
"7717928","23.8874","0.0017","9.9299","0.0004","23.6731","0.0019","90","","126.003","0.011","90","","4542.7","0.8","102","","102","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 F12 O14 Ru2 -","- C42 H36 F12 O14 Ru2 -","- C168 H144 F48 O56 Ru8 -","4","0.5","","Kosaka, Wataru; Watanabe, Yudai; Kitayama, Taku; Itoh, Chisa; Miyasaka, Hitoshi","Introduction of substituents for tuning the redox properties of benzoate-bridged paddlewheel diruthenium(II,II) complexes: what does the OH group bring?","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1838","1849","10.1039/d4dt03020f","","x-ray","0.71073","MoKα","","0.0735","0.056","","","0.1363","0.1457","","","","","","1.056","","","","has coordinates","297509","2025-01-28","23:59:42",""
"7717929","9.752","0.0005","10.3379","0.0006","11.7134","0.0005","91.483","0.004","105.485","0.004","92.535","0.004","1136.04","0.1","102","","102","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 F18 O12 Ru2 -","- C42 H30 F18 O12 Ru2 -","- C42 H30 F18 O12 Ru2 -","1","0.5","","Kosaka, Wataru; Watanabe, Yudai; Kitayama, Taku; Itoh, Chisa; Miyasaka, Hitoshi","Introduction of substituents for tuning the redox properties of benzoate-bridged paddlewheel diruthenium(II,II) complexes: what does the OH group bring?","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1838","1849","10.1039/d4dt03020f","","x-ray","0.71073","MoKα","","0.1052","0.074","","","0.173","0.1864","","","","","","1.013","","","","has coordinates,has disorder","297509","2025-01-28","23:59:42",""
"7717930","10.9776","0.0005","14.0906","0.0005","14.7802","0.0007","90","","107.382","0.005","90","","2181.81","0.17","102","","102","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 Cl2 F12 O12 Ru2 -","- C40 H30 Cl2 F12 O12 Ru2 -","- C80 H60 Cl4 F24 O24 Ru4 -","2","0.5","","Kosaka, Wataru; Watanabe, Yudai; Kitayama, Taku; Itoh, Chisa; Miyasaka, Hitoshi","Introduction of substituents for tuning the redox properties of benzoate-bridged paddlewheel diruthenium(II,II) complexes: what does the OH group bring?","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1838","1849","10.1039/d4dt03020f","","x-ray","0.71073","MoKα","","0.035","0.0296","","","0.0709","0.0732","","","","","","1.055","","","","has coordinates,has disorder","297509","2025-01-28","23:59:43",""
"7717931","25.9938","0.001","8.5471","0.0004","21.7511","0.0009","90","","96.794","0.004","90","","4798.5","0.4","102","","102","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 F12 O13 Ru2 -","- C42 H36 F12 O12 Ru2 -","- C168 H144 F48 O48 Ru8 -","4","0.5","","Kosaka, Wataru; Watanabe, Yudai; Kitayama, Taku; Itoh, Chisa; Miyasaka, Hitoshi","Introduction of substituents for tuning the redox properties of benzoate-bridged paddlewheel diruthenium(II,II) complexes: what does the OH group bring?","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1838","1849","10.1039/d4dt03020f","","x-ray","0.71073","MoKα","","0.0587","0.0497","","","0.1432","0.148","","","","","","1.042","","","","has coordinates","297509","2025-01-28","23:59:43",""
"7717932","17.0102","0.0006","18.1666","0.0004","18.4141","0.0005","90","","90","","90","","5690.3","0.3","102.15","","102.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H64 Br4 O18 Ru2 -","- C52 H64 Br4 O18 Ru2 -","- C208 H256 Br16 O72 Ru8 -","4","0.5","","Kosaka, Wataru; Watanabe, Yudai; Kitayama, Taku; Itoh, Chisa; Miyasaka, Hitoshi","Introduction of substituents for tuning the redox properties of benzoate-bridged paddlewheel diruthenium(II,II) complexes: what does the OH group bring?","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1838","1849","10.1039/d4dt03020f","","x-ray","0.71073","MoKα","","0.0496","0.0432","","","0.1007","0.103","","","","","","1.21","","","","has coordinates,has disorder","297509","2025-01-28","23:59:44",""
"7717933","11.0125","0.0003","14.1717","0.0003","14.5066","0.0004","90","","110.034","0.003","90","","2126.99","0.1","102","","102","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 F14 O12 Ru2 -","- C40 H30 F14 O12 Ru2 -","- C80 H60 F28 O24 Ru4 -","2","0.5","","Kosaka, Wataru; Watanabe, Yudai; Kitayama, Taku; Itoh, Chisa; Miyasaka, Hitoshi","Introduction of substituents for tuning the redox properties of benzoate-bridged paddlewheel diruthenium(II,II) complexes: what does the OH group bring?","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1838","1849","10.1039/d4dt03020f","","x-ray","0.71073","MoKα","","0.0362","0.0309","","","0.0757","0.0784","","","","","","1.025","","","","has coordinates","297509","2025-01-28","23:59:44",""
"7717934","11.0636","0.0005","14.1368","0.0005","14.7467","0.0007","90","","107.557","0.005","90","","2199","0.17","102","","102","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 F12 O12 Ru2 -","- C42 H36 F12 O12 Ru2 -","- C84 H72 F24 O24 Ru4 -","2","0.5","","Kosaka, Wataru; Watanabe, Yudai; Kitayama, Taku; Itoh, Chisa; Miyasaka, Hitoshi","Introduction of substituents for tuning the redox properties of benzoate-bridged paddlewheel diruthenium(II,II) complexes: what does the OH group bring?","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1838","1849","10.1039/d4dt03020f","","x-ray","0.71073","MoKα","","0.0384","0.0338","","","0.0804","0.0823","","","","","","1.094","","","","has coordinates,has disorder","297509","2025-01-28","23:59:45",""
"7717935","12.9788","0.0006","21.3992","0.0009","9.2616","0.0004","90","","104.507","0.004","90","","2490.27","0.19","102","","102","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C49.6 H63.2 O16.4 Ru2 -","- C40 H44 O14 Ru2 -","- C80 H88 O28 Ru4 -","2","0.25","","Kosaka, Wataru; Watanabe, Yudai; Kitayama, Taku; Itoh, Chisa; Miyasaka, Hitoshi","Introduction of substituents for tuning the redox properties of benzoate-bridged paddlewheel diruthenium(II,II) complexes: what does the OH group bring?","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1838","1849","10.1039/d4dt03020f","","x-ray","0.71073","MoKα","","0.0616","0.0502","","","0.1607","0.1727","","","","","","1.075","","","","has coordinates,has disorder","297509","2025-01-28","23:59:45",""
"7717936","8.0723","0.0005","10.5927","0.0009","11.6969","0.0006","86.587","0.006","78.313","0.005","70.144","0.007","921.16","0.12","102.15","","102.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 F4 O14 Ru2 -","- C36 H32 F4 O14 Ru2 -","- C36 H32 F4 O14 Ru2 -","1","0.5","","Kosaka, Wataru; Watanabe, Yudai; Kitayama, Taku; Itoh, Chisa; Miyasaka, Hitoshi","Introduction of substituents for tuning the redox properties of benzoate-bridged paddlewheel diruthenium(II,II) complexes: what does the OH group bring?","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1838","1849","10.1039/d4dt03020f","","x-ray","0.71073","MoKα","","0.1059","0.0703","","","0.1736","0.2351","","","","","","1.117","","","","has coordinates","297509","2025-01-28","23:59:45",""
"7717937","9.4838","0.0005","19.1954","0.001","10.1612","0.0005","90","","103.587","0.006","90","","1798.03","0.17","102.15","","102.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 F4 O14 Ru2 -","- C36 H32 F4 O14 Ru2 -","- C72 H64 F8 O28 Ru4 -","2","0.5","","Kosaka, Wataru; Watanabe, Yudai; Kitayama, Taku; Itoh, Chisa; Miyasaka, Hitoshi","Introduction of substituents for tuning the redox properties of benzoate-bridged paddlewheel diruthenium(II,II) complexes: what does the OH group bring?","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1838","1849","10.1039/d4dt03020f","","x-ray","0.71073","MoKα","","0.0286","0.0242","","","0.0583","0.0599","","","","","","1.067","","","","has coordinates,has disorder","297509","2025-01-28","23:59:45",""
"7717938","14.235","0.0004","18.3819","0.0005","20.277","0.0006","90","","90","","90","","5305.8","0.3","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H64 F4 O18 Ru2 -","- C52 H64 F4 O18 Ru2 -","- C208 H256 F16 O72 Ru8 -","4","0.5","","Kosaka, Wataru; Watanabe, Yudai; Kitayama, Taku; Itoh, Chisa; Miyasaka, Hitoshi","Introduction of substituents for tuning the redox properties of benzoate-bridged paddlewheel diruthenium(II,II) complexes: what does the OH group bring?","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1838","1849","10.1039/d4dt03020f","","x-ray","0.71073","MoKα","","0.0515","0.0351","","","0.0781","0.085","","","","","","1.036","","","","has coordinates,has disorder","297509","2025-01-28","23:59:46",""
"7717939","10.2539","0.0001","26.5654","0.0002","14.4367","0.0001","90","","108.278","0.001","90","","3734.13","0.06","170","0.1","170","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C72 H80 Cl2 Dy2 F2 N10 O18 P2 -","- C72 H80 Cl2 Dy2 F2 N10 O18 P2 -","- C144 H160 Cl4 Dy4 F4 N20 O36 P4 -","2","1","","Liu, Cai-Ming; Hao, Xiang; Zhang, Yi-Quan","Homochiral Dy<sub>2</sub> zero-field single-molecule magnets derived from axial chiral ligands (<i>R</i>)/(<i>S</i>)-octahydro-1,1'-bi-2-naphthyl phosphate.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4159","4166","10.1039/d4dt03408b","","x-ray","1.54184","CuKα","","0.043","0.0422","","","0.1123","0.1129","","","","","","1.047","","","","has coordinates","300764","2025-07-06","15:28:56",""
"7717940","10.2512","0.0001","26.578","0.0002","14.383","0.0001","90","","108.52","0.001","90","","3715.8","0.06","170","0.1","170","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C72 H80 Cl2 Dy2 F2 N10 O18 P2 -","- C72 H80 Cl2 Dy2 F2 N10 O18 P2 -","- C144 H160 Cl4 Dy4 F4 N20 O36 P4 -","2","1","","Liu, Cai-Ming; Hao, Xiang; Zhang, Yi-Quan","Homochiral Dy<sub>2</sub> zero-field single-molecule magnets derived from axial chiral ligands (<i>R</i>)/(<i>S</i>)-octahydro-1,1'-bi-2-naphthyl phosphate.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4159","4166","10.1039/d4dt03408b","","x-ray","1.54184","CuKα","","0.0407","0.0385","","","0.1039","0.1076","","","","","","1.087","","","","has coordinates","300764","2025-07-06","15:28:57",""
"7717941","12.1575","0.0002","13.7797","0.0003","13.9883","0.0003","117.786","0.001","103.145","0.001","95.397","0.001","1963.69","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H118 K2 N8 O2 -","- C90 H118 K2 N8 O2 -","- C90 H118 K2 N8 O2 -","1","0.5","","Selikhov, Alexander N.; Nelyubina, Yulia V.; Aysin, Rinat R.; Trifonov, Alexander A.","Low-coordinate potassium alkoxide – an efficient trap for arenes: the role of ηn non-covalent bonding in substrate activation for C–H bond metalation","Dalton Transactions","2025","54","11","4503","4517","10.1039/D4DT03326D","","","0.71073","MoKα","","0.0523","0.0422","","","0.1017","0.1085","","","","","","1.02","","","","has coordinates,has disorder","300975","2025-07-06","17:08:38",""
"7717942","9.4334","0.0002","13.5138","0.0003","16.9113","0.0004","113.394","0.001","92.476","0.001","105.232","0.001","1882.46","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H102 K2 N6 O2 -","- C80 H102 K2 N6 O2 -","- C80 H102 K2 N6 O2 -","1","0.5","","Selikhov, Alexander N.; Nelyubina, Yulia V.; Aysin, Rinat R.; Trifonov, Alexander A.","Low-coordinate potassium alkoxide – an efficient trap for arenes: the role of ηn non-covalent bonding in substrate activation for C–H bond metalation","Dalton Transactions","2025","54","11","4503","4517","10.1039/D4DT03326D","","","0.71073","MoKα","","0.0934","0.0721","","","0.1831","0.1994","","","","","","1.023","","","","has coordinates,has disorder","300975","2025-07-06","17:08:40",""
"7717943","9.5095","0.0017","13.644","0.002","16.946","0.003","113.687","0.004","92.326","0.004","105.616","0.004","1911.4","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H100 K2 N6 O2 S -","- C78 H100 K2 N6 O2 S -","- C78 H100 K2 N6 O2 S -","1","0.5","","Selikhov, Alexander N.; Nelyubina, Yulia V.; Aysin, Rinat R.; Trifonov, Alexander A.","Low-coordinate potassium alkoxide – an efficient trap for arenes: the role of ηn non-covalent bonding in substrate activation for C–H bond metalation","Dalton Transactions","2025","54","11","4503","4517","10.1039/D4DT03326D","","","0.71073","MoKα","","0.1643","0.0788","","","0.1895","0.2451","","","","","","0.897","","","","has coordinates,has disorder","300975","2025-07-06","17:08:48",""
"7717944","12.1208","0.0005","13.8895","0.0005","13.9198","0.0005","118.07","0.002","103.177","0.002","94.963","0.002","1961.45","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C94 H112 K2 N6 O2 -","- C94 H112 K2 N6 O2 -","- C94 H112 K2 N6 O2 -","1","0.5","","Selikhov, Alexander N.; Nelyubina, Yulia V.; Aysin, Rinat R.; Trifonov, Alexander A.","Low-coordinate potassium alkoxide – an efficient trap for arenes: the role of ηn non-covalent bonding in substrate activation for C–H bond metalation","Dalton Transactions","2025","54","11","4503","4517","10.1039/D4DT03326D","","","0.71073","MoKα","","0.0661","0.045","","","0.0995","0.109","","","","","","1.017","","","","has coordinates","300975","2025-07-06","17:08:48",""
"7717945","14.6214","0.0005","12.9345","0.0004","22.6282","0.0007","90","","102.17","0.002","90","","4183.3","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H116 K2 N6 O4 -","- C82 H116 K2 N6 O4 -","- C164 H232 K4 N12 O8 -","2","0.5","","Selikhov, Alexander N.; Nelyubina, Yulia V.; Aysin, Rinat R.; Trifonov, Alexander A.","Low-coordinate potassium alkoxide – an efficient trap for arenes: the role of ηn non-covalent bonding in substrate activation for C–H bond metalation","Dalton Transactions","2025","54","11","4503","4517","10.1039/D4DT03326D","","","0.71073","MoKα","","0.1078","0.0717","","","0.1564","0.1727","","","","","","1.031","","","","has coordinates,has disorder","300975","2025-07-06","17:08:48",""
"7717946","16.1563","0.0003","14.0953","0.0003","19.3873","0.0003","90","","105.004","0.001","90","","4264.51","0.14","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102 H127 K2 N6 O2 -","- C102 H127 K2 N6 O2 -","- C204 H254 K4 N12 O4 -","2","0.5","","Selikhov, Alexander N.; Nelyubina, Yulia V.; Aysin, Rinat R.; Trifonov, Alexander A.","Low-coordinate potassium alkoxide – an efficient trap for arenes: the role of ηn non-covalent bonding in substrate activation for C–H bond metalation","Dalton Transactions","2025","54","11","4503","4517","10.1039/D4DT03326D","","","0.71073","MoKα","","0.0761","0.0465","","","0.0978","0.1126","","","","","","1.019","","","","has coordinates,has disorder","300975","2025-07-06","17:08:49",""
"7717947","16.6965","0.0019","14","0.0017","18.5478","0.0017","90","","103.263","0.006","90","","4219.9","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H120 K2 N6 O2 -","- C98 H120 K2 N6 O2 -","- C196 H240 K4 N12 O4 -","2","0.5","","Selikhov, Alexander N.; Nelyubina, Yulia V.; Aysin, Rinat R.; Trifonov, Alexander A.","Low-coordinate potassium alkoxide – an efficient trap for arenes: the role of ηn non-covalent bonding in substrate activation for C–H bond metalation","Dalton Transactions","2025","54","11","4503","4517","10.1039/D4DT03326D","","","0.71073","MoKα","","0.2601","0.1177","","","0.2221","0.2899","","","","","","1.016","","","","has coordinates,has disorder","300975","2025-07-06","17:08:49",""
"7717948","21.9048","0.0012","14.7155","0.0009","26.2038","0.0015","90","","90","","90","","8446.5","0.8","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C88 H112 K2 N6 O4 -","- C88 H112 K2 N6 O4 -","- C352 H448 K8 N24 O16 -","4","1","","Selikhov, Alexander N.; Nelyubina, Yulia V.; Aysin, Rinat R.; Trifonov, Alexander A.","Low-coordinate potassium alkoxide – an efficient trap for arenes: the role of ηn non-covalent bonding in substrate activation for C–H bond metalation","Dalton Transactions","2025","54","11","4503","4517","10.1039/D4DT03326D","","","0.71073","MoKα","","0.1866","0.087","","","0.2074","0.2749","","","","","","1.003","","","","has coordinates,has disorder","300975","2025-07-06","17:08:49",""
"7717949","7.16087","0.00011","10.7439","0.0002","11.0077","0.0003","61.876","0.003","84.9892","0.0018","81.5888","0.0015","738.69","0.03","299.15","","299.15","","","","","","","","see text","5","P -1","-P 1","2","","","","- C13 H13 Cu N3 O7 -","- C13 H13 Cu N3 O7 -","- C26 H26 Cu2 N6 O14 -","2","1","","Espindola-Moreno, Olivia; da Silva Moura, Fagner; Santa Maria de la Parra, Lucía; Stellet, Carolina; Serna, Jilder D. P.; Diniz, Renata; Rey, Nicolás A; León, Ignacio E","Antiproliferative activity of a series of copper(II) complexes derived from a furan-containing <i>N</i>-acylhydrazone: monomers, dimers, charge status, and cell mechanistic studies on triple negative breast cancer cells.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3872","3886","10.1039/d4dt03445g","","x-ray","1.54184","","","0.0683","0.0658","","","0.239","0.2401","","","","","","1.242","","","","has coordinates","298932","2025-04-05","03:19:15",""
"7717950","21.474","0.004","21.474","0.004","13.425","0.003","90","0.03","90","0.03","90","0.03","6191","2","","","","","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C70 H70 N8 O4 Se2 -","- C70 H70 N8 O4 Se2 -","- C280 H280 N32 O16 Se8 -","4","0.5","","Malankar, Gauri S.; Shelar, Divyesh S.; Butcher, Ray J.; Manjare, Sudesh T.","Development of diselenide-based fluorogenic system for the selective and sensitive detection of the Hg(II) in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2025","54","9","3911","3920","10.1039/d4dt02967d","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","298930","2025-04-05","03:18:57",""
"7717951","13.4","0.0006","18.8462","0.0007","24.0889","0.001","90","","104.874","0.0016","90","","5879.6","0.4","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56.9 H72.5 Au Cl3.3 N4 O2 P2 S2 -","- C56.9 H72.5 Au Cl3.3 N4 O2 P2 S2 -","- C227.6 H290 Au4 Cl13.2 N16 O8 P8 S8 -","4","1","","Hameury, Sophie; Bousquet, Laura; Saffon-Merceron, Nathalie; Baceiredo, Antoine; Madec, David; Maerten, Eddy","Phosphine/sulfoxide-carbone, a ligand with a flexible bonding mode for early to late transition metals.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4142","4150","10.1039/d4dt03372h","","","0.71073","MoKα","","0.058","0.0296","","","0.0444","0.0506","","","","","","1.046","","","","has coordinates,has disorder","300762","2025-07-06","15:28:24",""
"7717952","18.214","0.003","43.716","0.008","21.33","0.004","90","","93.557","0.004","90","","16951","5","193","2","193","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C74 H106 Cl8 Hf2 N4 O7 P2 S2 -","- C74 H106 Cl8 Hf2 N4 O7 P2 S2 -","- C592 H848 Cl64 Hf16 N32 O56 P16 S16 -","8","2","","Hameury, Sophie; Bousquet, Laura; Saffon-Merceron, Nathalie; Baceiredo, Antoine; Madec, David; Maerten, Eddy","Phosphine/sulfoxide-carbone, a ligand with a flexible bonding mode for early to late transition metals.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4142","4150","10.1039/d4dt03372h","","","0.71073","MoKα","","0.0583","0.0393","","","0.0907","0.099","","","","","","1.037","","","","has coordinates,has disorder","300762","2025-07-06","15:28:25",""
"7717953","10.3704","0.0006","36.154","0.002","15.7364","0.0009","90","","92.685","0.003","90","","5893.6","0.6","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C59 H74 Ag F3 N4 O6 P2 S3 -","- C59 H74 Ag F3 N4 O6 P2 S3 -","- C236 H296 Ag4 F12 N16 O24 P8 S12 -","4","1","","Hameury, Sophie; Bousquet, Laura; Saffon-Merceron, Nathalie; Baceiredo, Antoine; Madec, David; Maerten, Eddy","Phosphine/sulfoxide-carbone, a ligand with a flexible bonding mode for early to late transition metals.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4142","4150","10.1039/d4dt03372h","","","0.71073","MoKα","","0.0641","0.041","","","0.078","0.0859","","","","","","1.042","","","","has coordinates,has disorder","300762","2025-07-06","15:28:25",""
"7717954","18.201","0.003","43.73","0.006","10.6729","0.0015","90","","93.578","0.004","90","","8478","2","193","2","193","2","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C70 H98 Cl8 N4 O6 P2 S2 Zr2 -","- C70 H98 Cl8 N4 O6 P2 S2 Zr2 -","- C280 H392 Cl32 N16 O24 P8 S8 Zr8 -","4","1","","Hameury, Sophie; Bousquet, Laura; Saffon-Merceron, Nathalie; Baceiredo, Antoine; Madec, David; Maerten, Eddy","Phosphine/sulfoxide-carbone, a ligand with a flexible bonding mode for early to late transition metals.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4142","4150","10.1039/d4dt03372h","","","0.71073","MoKα","","0.1306","0.0736","","","0.1784","0.2153","","","","","","1.038","","","","has coordinates,has disorder","300762","2025-07-06","15:28:25",""
"7717955","10.9404","0.0003","15.3548","0.0005","17.1108","0.0005","93.6895","0.0012","95.1242","0.0011","99.2602","0.0011","2816.53","0.15","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H66 Cu F3 N4 O5 P2 S3 -","- C55 H66 Cu F3 N4 O5 P2 S3 -","- C110 H132 Cu2 F6 N8 O10 P4 S6 -","2","1","","Hameury, Sophie; Bousquet, Laura; Saffon-Merceron, Nathalie; Baceiredo, Antoine; Madec, David; Maerten, Eddy","Phosphine/sulfoxide-carbone, a ligand with a flexible bonding mode for early to late transition metals.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4142","4150","10.1039/d4dt03372h","","","0.71073","MoKα","","0.0842","0.0484","","","0.1107","0.1304","","","","","","1.026","","","","has coordinates,has disorder","300762","2025-07-06","15:28:25",""
"7717956","15.2207","0.0017","11.0109","0.0012","18.964","0.002","90","","107.449","0.004","90","","3032","0.6","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Cl F3 N2 O3 P S2 -","- C28 H33 Cl F3 N2 O3 P S2 -","- C112 H132 Cl4 F12 N8 O12 P4 S8 -","4","1","","Hameury, Sophie; Bousquet, Laura; Saffon-Merceron, Nathalie; Baceiredo, Antoine; Madec, David; Maerten, Eddy","Phosphine/sulfoxide-carbone, a ligand with a flexible bonding mode for early to late transition metals.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4142","4150","10.1039/d4dt03372h","","","0.71073","MoKα","","0.0936","0.0447","","","0.0767","0.0948","","","","","","1.033","","","","has coordinates","300762","2025-07-06","15:28:25",""
"7717957","10.3829","0.001","14.7619","0.0016","20.471","0.002","90","","90","","90","","3137.6","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[N,N'-Bis(salicylidene)-1,4-diimino-butane] copper(II)","","- C18 H18 Cu N2 O2 -","- C18 H18 Cu N2 O2 -","- C144 H144 Cu8 N16 O16 -","8","1","","Signorella, Sharon; Bruno, Micaela; Frattini, Gianfranco; Palopoli, Claudia M.; Moreno, Diego M.; Pellegri, Nora; Daier, Verónica A; Signorella, Sandra R.","The relative impact of ligand flexibility and redox potential on the activity of Cu superoxide dismutase mimics.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4187","4200","10.1039/d4dt03403a","","","0.71073","MoKα","","0.041","0.0286","","","0.0669","0.0723","","","","","","1.024","","","","has coordinates","300756","2025-07-06","15:25:50",""
"7717958","7.0578","0.0008","24.333","0.003","12.4664","0.0013","90","","102.707","0.003","90","","2088.5","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[N,N'-bis(2-pyridylmethylene)-1,4-butanediamine]copper(II) perchlorate acetate","","- C18 H21 Cl Cu N4 O6 -","- C18 H21 Cl Cu N4 O6 -","- C72 H84 Cl4 Cu4 N16 O24 -","4","1","","Signorella, Sharon; Bruno, Micaela; Frattini, Gianfranco; Palopoli, Claudia M.; Moreno, Diego M.; Pellegri, Nora; Daier, Verónica A; Signorella, Sandra R.","The relative impact of ligand flexibility and redox potential on the activity of Cu superoxide dismutase mimics.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4187","4200","10.1039/d4dt03403a","","","0.71073","MoKα","","0.1227","0.0952","","","0.2113","0.2255","","","","","","1.196","","","","has coordinates,has disorder","300756","2025-07-06","15:25:54",""
"7717959","25.3003","0.0008","8.724","0.0002","34.4836","0.0011","90","","108.683","0.004","90","","7210.1","0.4","123.15","","123.15","","","","","","","","","4","I 1 2 1","I 2y","5","","KM040-6","","- C34 H52 Br2 Si3 -","- C34 H52 Br2 Si3 -","- C272 H416 Br16 Si24 -","8","2","","Münster, Katharina; Kudo, Shunsuke; Kuwabara, Takuya; Shimamura, Eriko; Furukawa, Shunsuke; Yoshida, Yusuke; Ishida, Shintaro; Iwamoto, Takeaki; Tanifuji, Kazuki; Ohki, Yasuhiro; Minoura, Mao; Saito, Masaichi","Synthesis of a dilithiobutadiene bearing extremely bulky silyl substituents and its reactivity toward functionalized silanes.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4030","4038","10.1039/d4dt03537b","","x-ray","0.71073","MoKα","","0.0384","0.0328","","","0.0773","0.0792","","","","","","1.043","","","","has coordinates","300761","2025-07-06","15:27:25",""
"7717960","15.4817","0.0014","12.5178","0.0012","12.808","0.0011","90","","118.074","0.004","90","","2190.1","0.4","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H68 Li2 O2 Si3 -","- C42 H68 Li2 O2 Si3 -","- C84 H136 Li4 O4 Si6 -","2","0.5","","Münster, Katharina; Kudo, Shunsuke; Kuwabara, Takuya; Shimamura, Eriko; Furukawa, Shunsuke; Yoshida, Yusuke; Ishida, Shintaro; Iwamoto, Takeaki; Tanifuji, Kazuki; Ohki, Yasuhiro; Minoura, Mao; Saito, Masaichi","Synthesis of a dilithiobutadiene bearing extremely bulky silyl substituents and its reactivity toward functionalized silanes.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4030","4038","10.1039/d4dt03537b","","","0.71073","MoKα","","0.055","0.0451","","","0.1035","0.1082","","","","","","1.054","","","","has coordinates,has disorder","300761","2025-07-06","15:27:25",""
"7717961","18.308","0.002","11.0924","0.0014","21.176","0.003","90","","95.485","0.002","90","","4280.7","0.9","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H72 Li2 O2 Si2 -","- C42 H72 Li2 O2 Si2 -","- C168 H288 Li8 O8 Si8 -","4","1","","Münster, Katharina; Kudo, Shunsuke; Kuwabara, Takuya; Shimamura, Eriko; Furukawa, Shunsuke; Yoshida, Yusuke; Ishida, Shintaro; Iwamoto, Takeaki; Tanifuji, Kazuki; Ohki, Yasuhiro; Minoura, Mao; Saito, Masaichi","Synthesis of a dilithiobutadiene bearing extremely bulky silyl substituents and its reactivity toward functionalized silanes.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4030","4038","10.1039/d4dt03537b","","","0.71073","MoKα","","0.0565","0.0454","","","0.1266","0.1338","","","","","","1.045","","","","has coordinates","300761","2025-07-06","15:27:25",""
"7717962","6.2801","0.0005","11.424","0.0008","14.7832","0.0009","90","","95.063","0.002","90","","1056.47","0.13","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N Na O3 S -","- C8 H11 N Na O3 S -","- C32 H44 N4 Na4 O12 S4 -","4","1","","Rogozhin, Anton F.; Ilichev, Vasily A.; Pavlov, Dmitry I.; Bochkarev, Mikhail N.","Structurally isomeric ditopic 2-mercaptobenzoxazole and 2-hydroxybenzothiazole as ligands for design of 2D sodium-based luminescent coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4589","4598","10.1039/d4dt03427a","","","0.71073","MoKα","","0.0356","0.0301","","","0.0793","0.0823","","","","","","1.084","","","","has coordinates","300969","2025-07-06","17:05:07",""
"7717963","9.637","0.0003","21.2068","0.0007","19.2452","0.0007","90","","95.36","0.001","90","","3915.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 N3 Na3 O9 S9 -","- C24 H39 N3 Na3 O9 S9 -","- C96 H156 N12 Na12 O36 S36 -","4","1","","Rogozhin, Anton F.; Ilichev, Vasily A.; Pavlov, Dmitry I.; Bochkarev, Mikhail N.","Structurally isomeric ditopic 2-mercaptobenzoxazole and 2-hydroxybenzothiazole as ligands for design of 2D sodium-based luminescent coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4589","4598","10.1039/d4dt03427a","","","0.71073","MoKα","","0.1109","0.0548","","","0.0971","0.1198","","","","","","1.009","","","","has coordinates,has disorder","300969","2025-07-06","17:05:08",""
"7717964","14.4519","0.0007","13.6441","0.0007","14.8205","0.0008","90","","112.633","0.002","90","","2697.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 N2 Na2 O6 S6 -","- C16 H26 N2 Na2 O6 S6 -","- C64 H104 N8 Na8 O24 S24 -","4","1","","Rogozhin, Anton F.; Ilichev, Vasily A.; Pavlov, Dmitry I.; Bochkarev, Mikhail N.","Structurally isomeric ditopic 2-mercaptobenzoxazole and 2-hydroxybenzothiazole as ligands for design of 2D sodium-based luminescent coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4589","4598","10.1039/d4dt03427a","","","0.71073","MoKα","","0.1063","0.0634","","","0.1449","0.165","","","","","","1.051","","","","has coordinates,has disorder","300969","2025-07-06","17:05:08",""
"7717965","17.9372","0.0004","23.3395","0.0006","30.4245","0.0007","90","","97.112","0.001","90","","12639.1","0.5","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C219.59 H271.89 Cl2 Eu8 N13.3 O41 S16 -","- C210.612 H245.918 Cl2 Eu8 N11.306 O36 S16 -","- C421.224 H491.836 Cl4 Eu16 N22.612 O72 S32 -","2","0.5","","Gao, Hongbo; Wang, Hao; Liu, Chenxing; Yan, Qicao; Wang, Yanyan; Wen, Herui; You, Hongpeng; Hao, Zhaomin; Liao, Wuping","Thiacalix[4]arene-capped Ln(III) aggregates with ""hand in hand"" structures and their luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4332","4337","10.1039/d4dt03308f","","","1.54178","CuKα","","0.0793","0.065","","","0.1323","0.142","","","","","","1.227","","","","has coordinates,has disorder","300758","2025-07-06","15:26:36",""
"7717966","17.884","0.0004","23.2926","0.0005","30.3921","0.0006","90","","97.171","0.001","90","","12561.3","0.5","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C218.51 H267.02 Cl2 N13.26 O40 S16 Tb8 -","- C210.52 H245.04 Cl2 N11.26 O36 S16 Tb8 -","- C421.04 H490.08 Cl4 N22.52 O72 S32 Tb16 -","2","0.5","","Gao, Hongbo; Wang, Hao; Liu, Chenxing; Yan, Qicao; Wang, Yanyan; Wen, Herui; You, Hongpeng; Hao, Zhaomin; Liao, Wuping","Thiacalix[4]arene-capped Ln(III) aggregates with ""hand in hand"" structures and their luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4332","4337","10.1039/d4dt03308f","","","1.54178","CuKα","","0.0457","0.0389","","","0.0963","0.1037","","","","","","1.054","","","","has coordinates,has disorder","300758","2025-07-06","15:26:37",""
"7717967","16.3068","0.0004","13.9523","0.0002","19.3646","0.0005","90","","104.722","0.002","90","","4261.14","0.17","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Phenothiazine","","- C28 H21 Fe N S -","- C28 H21 Fe N S -","- C224 H168 Fe8 N8 S8 -","8","2","","Tiwari, Nikhil Ji; Misra, Rajneesh","Design, synthesis, and redox properties of ferrocene-functionalized phenothiazine and phenothiazine sulfone isomers.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4366","4379","10.1039/d4dt02821j","","","0.71073","MoKα","","0.1121","0.0549","","","0.1074","0.1418","","","","","","1.0723","","","","has coordinates","300759","2025-07-06","15:26:52",""
"7717968","8.7645","0.0007","25.8133","0.0016","10.1975","0.0008","90","","111.404","0.009","90","","2148","0.3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Phenothia","","- C28 H21 Fe N S -","- C28 H21 Fe N S -","- C112 H84 Fe4 N4 S4 -","4","1","","Tiwari, Nikhil Ji; Misra, Rajneesh","Design, synthesis, and redox properties of ferrocene-functionalized phenothiazine and phenothiazine sulfone isomers.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4366","4379","10.1039/d4dt02821j","","x-ray","0.71073","MoKα","","0.13","0.0716","","","0.1473","0.1821","","","","","","1.032","","","","has coordinates","300759","2025-07-06","15:26:53",""
"7717969","14.5069","0.0004","11.4203","0.0004","13.8306","0.0004","90","","104.564","0.003","90","","2217.73","0.12","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","paraphenothiazene","","- C28 H21 Fe N O2 S -","- C28 H21 Fe N O2 S -","- C112 H84 Fe4 N4 O8 S4 -","4","1","","Tiwari, Nikhil Ji; Misra, Rajneesh","Design, synthesis, and redox properties of ferrocene-functionalized phenothiazine and phenothiazine sulfone isomers.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4366","4379","10.1039/d4dt02821j","","x-ray","0.71073","MoKα","","0.0601","0.045","","","0.1115","0.1226","","","","","","1.053","","","","has coordinates","300759","2025-07-06","15:26:53",""
"7717970","11.045","0.0004","15.27","0.0005","14.1055","0.0004","90","","94.779","0.003","90","","2370.72","0.13","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhenoSulpho","","- C28 H21 Fe N O2 S -","- C28 H21 Fe N O2 S -","- C112 H84 Fe4 N4 O8 S4 -","4","1","","Tiwari, Nikhil Ji; Misra, Rajneesh","Design, synthesis, and redox properties of ferrocene-functionalized phenothiazine and phenothiazine sulfone isomers.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4366","4379","10.1039/d4dt02821j","","","0.71073","MoKα","","0.0893","0.0522","","","0.1223","0.1467","","","","","","1.047","","","","has coordinates","300759","2025-07-06","15:26:53",""
"7717971","7.676","0.0003","10.4925","0.0003","13.5049","0.0006","90","","102.663","0.004","90","","1061.23","0.07","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","PhenoThia","","- C28 H21 Fe N S -","- C28 H21 Fe N S -","- C56 H42 Fe2 N2 S2 -","2","1","","Tiwari, Nikhil Ji; Misra, Rajneesh","Design, synthesis, and redox properties of ferrocene-functionalized phenothiazine and phenothiazine sulfone isomers.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4366","4379","10.1039/d4dt02821j","","x-ray","0.71073","MoKα","","0.1171","0.0701","","","0.1679","0.2275","","","","","","1.034","","","","has coordinates","300759","2025-07-06","15:26:53",""
"7717972","9.586","0.0004","11.2456","0.0009","11.3589","0.0006","65.762","0.006","85.809","0.004","82.17","0.005","1105.94","0.13","293","","293","","","","","","","","","6","P -1","-P 1","2","","phenothiazene","","- C28 H21 Fe N O2 S -","- C28 H21 Fe N O2 S -","- C56 H42 Fe2 N2 O4 S2 -","2","1","","Tiwari, Nikhil Ji; Misra, Rajneesh","Design, synthesis, and redox properties of ferrocene-functionalized phenothiazine and phenothiazine sulfone isomers.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4366","4379","10.1039/d4dt02821j","","x-ray","0.71073","MoKα","","0.1457","0.0673","","","0.1418","0.1838","","","","","","0.978","","","","has coordinates","300759","2025-07-06","15:26:53",""
"7717973","12.9022","0.0003","28.6292","0.0008","15.0283","0.0004","90","","108.18","0.001","90","","5274","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H54 Er2 N10 O11 -","- C51 H54 Er2 N10 O11 -","- C204 H216 Er8 N40 O44 -","4","1","","Singh, Vaibhav; Urunikulavan, Vajeeha; Bar, Arun Kumar","An insight into the route from CO<sub>2</sub> fixation to CO<sub>3</sub><sup>2-</sup>-bridged dinuclear lanthanide(III) complexes featuring inner coordination post-synthetic modification.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4566","4576","10.1039/d4dt03050h","","","0.71073","MoKα","","0.0191","0.0169","","","0.0394","0.0405","","","","","","1.033","","","","has coordinates","300972","2025-07-06","17:07:36",""
"7717974","12.489","0.0005","15.6025","0.0006","17.0019","0.0007","96.001","0.002","103.8","0.001","106.632","0.001","3029.1","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H57 N10 O9 P Y2 -","- C66 H57 N10 O9 P Y2 -","- C132 H114 N20 O18 P2 Y4 -","2","1","","Singh, Vaibhav; Urunikulavan, Vajeeha; Bar, Arun Kumar","An insight into the route from CO<sub>2</sub> fixation to CO<sub>3</sub><sup>2-</sup>-bridged dinuclear lanthanide(III) complexes featuring inner coordination post-synthetic modification.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4566","4576","10.1039/d4dt03050h","","","0.71073","MoKα","","0.0618","0.0566","","","0.1539","0.156","","","","","","1.177","","","","has coordinates","300972","2025-07-06","17:07:37",""
"7717975","12.9095","0.0011","28.744","0.003","15.0415","0.0016","90","","108.009","0.004","90","","5308","0.9","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H47 F3 N10 O12 S Y2 -","- C50 H47 F3 N10 O12 S Y2 -","- C200 H188 F12 N40 O48 S4 Y8 -","4","1","","Singh, Vaibhav; Urunikulavan, Vajeeha; Bar, Arun Kumar","An insight into the route from CO<sub>2</sub> fixation to CO<sub>3</sub><sup>2-</sup>-bridged dinuclear lanthanide(III) complexes featuring inner coordination post-synthetic modification.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4566","4576","10.1039/d4dt03050h","","","0.71073","MoKα","","0.118","0.0677","","","0.1666","0.1959","","","","","","1.021","","","","has coordinates","300972","2025-07-06","17:07:37",""
"7717976","13.0195","0.0006","28.4143","0.0015","14.6931","0.0007","90","","109.381","0.002","90","","5127.5","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 N10 O11 Y2 -","- C50 H46 N10 O11 Y2 -","- C200 H184 N40 O44 Y8 -","4","1","","Singh, Vaibhav; Urunikulavan, Vajeeha; Bar, Arun Kumar","An insight into the route from CO<sub>2</sub> fixation to CO<sub>3</sub><sup>2-</sup>-bridged dinuclear lanthanide(III) complexes featuring inner coordination post-synthetic modification.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4566","4576","10.1039/d4dt03050h","","","0.71073","MoKα","","0.064","0.0379","","","0.0822","0.0922","","","","","","1.047","","","","has coordinates","300972","2025-07-06","17:07:37",""
"7717977","12.4588","0.0007","15.5778","0.0008","16.9491","0.0009","96.12","0.002","103.752","0.002","106.503","0.002","3009.5","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H57 Er2 N10 O9 P -","- C66 H57 Er2 N10 O9 P -","- C132 H114 Er4 N20 O18 P2 -","2","1","","Singh, Vaibhav; Urunikulavan, Vajeeha; Bar, Arun Kumar","An insight into the route from CO<sub>2</sub> fixation to CO<sub>3</sub><sup>2-</sup>-bridged dinuclear lanthanide(III) complexes featuring inner coordination post-synthetic modification.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4566","4576","10.1039/d4dt03050h","","","0.71073","MoKα","","0.0201","0.0171","","","0.0413","0.0419","","","","","","1.073","","","","has coordinates","300972","2025-07-06","17:07:37",""
"7717978","12.9182","0.0004","28.6706","0.001","15.0341","0.0005","90","","108.214","0.001","90","","5289.2","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H54 N10 O11 Y2 -","- C51 H54 N10 O11 Y2 -","- C204 H216 N40 O44 Y8 -","4","1","","Singh, Vaibhav; Urunikulavan, Vajeeha; Bar, Arun Kumar","An insight into the route from CO<sub>2</sub> fixation to CO<sub>3</sub><sup>2-</sup>-bridged dinuclear lanthanide(III) complexes featuring inner coordination post-synthetic modification.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4566","4576","10.1039/d4dt03050h","","","0.71073","MoKα","","0.0518","0.0357","","","0.0778","0.0845","","","","","","1.015","","","","has coordinates","300972","2025-07-06","17:07:37",""
"7717979","19.6985","0.001","19.6817","0.001","25.6866","0.0013","90","","102.249","0.002","90","","9732","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H39 N10 O4 Y -","- C46 H39 N10 O4 Y -","- C368 H312 N80 O32 Y8 -","8","2","","Singh, Vaibhav; Urunikulavan, Vajeeha; Bar, Arun Kumar","An insight into the route from CO<sub>2</sub> fixation to CO<sub>3</sub><sup>2-</sup>-bridged dinuclear lanthanide(III) complexes featuring inner coordination post-synthetic modification.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4566","4576","10.1039/d4dt03050h","","","0.71073","MoKα","","0.1213","0.0897","","","0.2259","0.2438","","","","","","1.045","","","","has coordinates","300972","2025-07-06","17:07:37",""
"7717980","9.4938","0.0005","24.7455","0.0017","32.698","0.002","91.498","0.002","96.674","0.002","91.932","0.002","7621.8","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C83 H68 N10 O9 P2 Y2 -","- C83 H68 N10 O9 P2 Y2 -","- C332 H272 N40 O36 P8 Y8 -","4","2","","Singh, Vaibhav; Urunikulavan, Vajeeha; Bar, Arun Kumar","An insight into the route from CO<sub>2</sub> fixation to CO<sub>3</sub><sup>2-</sup>-bridged dinuclear lanthanide(III) complexes featuring inner coordination post-synthetic modification.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4566","4576","10.1039/d4dt03050h","","","0.71073","MoKα","","0.1186","0.0711","","","0.1641","0.1899","","","","","","1.027","","","","has coordinates,has disorder","300972","2025-07-06","17:07:37",""
"7717981","17.134","0.0005","8.4626","0.0003","21.4906","0.0006","90","","90","","90","","3116.1","0.17","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H7 Br6 N Pb2 -","- C6 H7 Br6 N Pb2 -","- C48 H56 Br48 N8 Pb16 -","8","1","","Chaplygina, D. A.; Patrusheva, O. V.; Chen, C.; Shtareva, A. V.; Stoumpos, C. C.; Kevorkyants, R.; Emeline, A. V.; Shtarev, D. S.","Effect of ring substituent position on the structural and optoelectronic properties of novel quasi low-dimensional hybrid 2-, 3-, and 4-(bromomethyl)pyridinium lead bromides.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4608","4618","10.1039/d4dt02158d","","x-ray","0.71073","MoKα","","0.0684","0.0611","","","0.0804","0.0809","","","","2.6","2.6","2.36","","","","has coordinates","300977","2025-07-06","17:09:49",""
"7717982","4.365","0.003","13.137","0.008","20.534","0.012","90","","94.66","0.04","90","","1173.6","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Br4 N Pb -","- C6 H7 Br4 N Pb -","- C24 H28 Br16 N4 Pb4 -","4","1","","Chaplygina, D. A.; Patrusheva, O. V.; Chen, C.; Shtareva, A. V.; Stoumpos, C. C.; Kevorkyants, R.; Emeline, A. V.; Shtarev, D. S.","Effect of ring substituent position on the structural and optoelectronic properties of novel quasi low-dimensional hybrid 2-, 3-, and 4-(bromomethyl)pyridinium lead bromides.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4608","4618","10.1039/d4dt02158d","","x-ray","0.71073","MoKα","","0.0257","0.0232","","","0.0593","0.0605","","","","","","1.159","","","","has coordinates","300977","2025-07-06","17:09:50",""
"7717983","4.3364","0.0003","19.786","0.0015","14.1395","0.0011","90","","93.675","0.002","90","","1210.67","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(3-BrCH2pyH)PbBr3","","","- C6 H7 Br4 N Pb -","- C6 H7 Br4 N Pb -","- C24 H28 Br16 N4 Pb4 -","4","1","","Chaplygina, D. A.; Patrusheva, O. V.; Chen, C.; Shtareva, A. V.; Stoumpos, C. C.; Kevorkyants, R.; Emeline, A. V.; Shtarev, D. S.","Effect of ring substituent position on the structural and optoelectronic properties of novel quasi low-dimensional hybrid 2-, 3-, and 4-(bromomethyl)pyridinium lead bromides.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4608","4618","10.1039/d4dt02158d","","x-ray","0.71073","MoKα","","0.054","0.0467","","","0.1376","0.1505","","","","","","1.173","","","","has coordinates","300977","2025-07-06","17:09:50",""
"7717984","9.369","0.003","9.369","0.003","6.067","0.003","90","","90","","90","","532.6","0.4","273","2","273","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ga2 La2 O S6 Zn -","- Ga2 La2 O S6 Zn -","- Ga4 La4 O2 S12 Zn2 -","2","0.25","","Xu, Jingjing; Xiao, Yan; Wu, Xiaowen; Zhang, Bingbing; Wu, Kui","La<sub>2</sub>ZnGa<sub>2</sub>S<sub>6</sub>O: a melilite-type transition metal oxysulfide achieving a well-balanced nonlinear optical behavior.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4903","4908","10.1039/d4dt03569k","","","0.71073","MoKα","","0.0277","0.0255","","","0.0575","0.0585","","","","","","1.042","","","","has coordinates","300984","2025-07-06","17:12:36",""
"7717985","39.408","0.003","16.3007","0.0011","13.0803","0.0008","90","","95.388","0.003","90","","8365.4","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ni1","","- C82 H104 N10 Ni O4 S2 -","- C82 H104 N10 Ni O4 S2 -","- C328 H416 N40 Ni4 O16 S8 -","4","0.5","","Sugiyama, Haruki; Arita, Atsuko; Sekine, Akiko; Uekusa, Hidehiro","Triple-chromic (photo-, thermo-, and mechano-chromic) metal complexes containing <i>N</i>-salicylideneaminopyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5668","5674","10.1039/d4dt01755b","","","1.54186","CuKα","","0.0795","0.0575","","","0.1537","0.168","","","","","","0.95","","","","has coordinates","300904","2025-07-06","16:36:08",""
"7717986","39.1141","0.0007","16.097","0.0003","12.949","0.0002","90","","95.1466","0.0008","90","","8120.1","0.2","93","2","93.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H104 N10 Ni O4 S2 -","- C82 H104 N10 Ni O4 S2 -","- C328 H416 N40 Ni4 O16 S8 -","4","0.5","","Sugiyama, Haruki; Arita, Atsuko; Sekine, Akiko; Uekusa, Hidehiro","Triple-chromic (photo-, thermo-, and mechano-chromic) metal complexes containing <i>N</i>-salicylideneaminopyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5668","5674","10.1039/d4dt01755b","","","1.54186","CuKα","","0.0789","0.0629","","","0.161","0.1702","","","","","","1.077","","","","has coordinates","300904","2025-07-06","16:36:08",""
"7717987","39.4956","0.0016","16.3855","0.0008","13.0852","0.0007","90","","95.4017","0.0015","90","","8430.5","0.7","293","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1","","- C82 H104 Co N10 O4 S2 -","- C82 H104 Co N10 O4 S2 -","- C328 H416 Co4 N40 O16 S8 -","4","0.5","","Sugiyama, Haruki; Arita, Atsuko; Sekine, Akiko; Uekusa, Hidehiro","Triple-chromic (photo-, thermo-, and mechano-chromic) metal complexes containing <i>N</i>-salicylideneaminopyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5668","5674","10.1039/d4dt01755b","","","0.71075","MoKα","","0.1063","0.0545","","","0.1232","0.1501","","","","","","1.025","","","","has coordinates","300904","2025-07-06","16:36:08",""
"7717988","39.2182","0.001","16.1188","0.0003","12.9084","0.0002","90","","95.216","0.002","90","","8126.3","0.3","93","2","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H104 Co N10 O4 S2 -","- C82 H104 Co N10 O4 S2 -","- C328 H416 Co4 N40 O16 S8 -","4","0.5","","Sugiyama, Haruki; Arita, Atsuko; Sekine, Akiko; Uekusa, Hidehiro","Triple-chromic (photo-, thermo-, and mechano-chromic) metal complexes containing <i>N</i>-salicylideneaminopyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5668","5674","10.1039/d4dt01755b","","x-ray","1.54184","CuKα","","0.0477","0.046","","","0.1155","0.1166","","","","","","1.041","","","","has coordinates","300904","2025-07-06","16:36:08",""
"7717989","8.6481","0.0005","10.2867","0.0006","10.9814","0.0006","104.902","0.002","92.935","0.002","93.306","0.002","940.27","0.09","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cl4 In N3 O -","- C16 H14 Cl4 In N3 O -","- C32 H28 Cl8 In2 N6 O2 -","2","1","","Chen, Xiao; Zhang, Qinguo; Kaswer, Ashley; Kim, Hyunjeong; Ahmed, Maisha; Neary, Michelle C.; Cheng, Shu-Yuan; Zhang, Guoqi; Rauceo, Jason M.","Indium(III)-terpyridine complexes: synthesis, structures and remarkable antifungal and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4656","4663","10.1039/d4dt03492a","","","0.71073","MoKα","","0.0421","0.0347","","","0.0865","0.0919","","","","","","1.037","","","","has coordinates","300967","2025-07-06","17:04:41",""
"7717990","10.6721","0.0003","20.7727","0.0006","8.6742","0.0003","90","","90.704","0.001","90","","1922.82","0.1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cl3 In N4 -","- C20 H14 Cl3 In N4 -","- C80 H56 Cl12 In4 N16 -","4","1","","Chen, Xiao; Zhang, Qinguo; Kaswer, Ashley; Kim, Hyunjeong; Ahmed, Maisha; Neary, Michelle C.; Cheng, Shu-Yuan; Zhang, Guoqi; Rauceo, Jason M.","Indium(III)-terpyridine complexes: synthesis, structures and remarkable antifungal and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4656","4663","10.1039/d4dt03492a","","","0.71073","MoKα","","0.0294","0.0233","","","0.0558","0.0585","","","","","","1.033","","","","has coordinates","300967","2025-07-06","17:04:41",""
"7717991","13.1149","0.0003","15.2796","0.0003","19.7365","0.0005","90","","90.916","0.001","90","","3954.5","0.16","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16.5 H16 Cl4 In N3 O1.5 -","- C16.5 H16 Cl4 In N3 O1.5 -","- C132 H128 Cl32 In8 N24 O12 -","8","2","","Chen, Xiao; Zhang, Qinguo; Kaswer, Ashley; Kim, Hyunjeong; Ahmed, Maisha; Neary, Michelle C.; Cheng, Shu-Yuan; Zhang, Guoqi; Rauceo, Jason M.","Indium(III)-terpyridine complexes: synthesis, structures and remarkable antifungal and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4656","4663","10.1039/d4dt03492a","","","0.71073","MoKα","","0.0383","0.0295","","","0.077","0.0826","","","","","","1.015","","","","has coordinates","300967","2025-07-06","17:04:42",""
"7717992","11.3027","0.0003","12.3655","0.0004","17.0464","0.0005","82.161","0.002","83.388","0.002","77.112","0.003","2291.87","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H49 Cl N2 O6 P2 Ru -","- C50 H41 Cl N2 O4 P2 Ru -","- C100 H82 Cl2 N4 O8 P4 Ru2 -","2","1","","Yadav, Samanta; Gupta, Rajeev","Acceptorless oxidant-free dehydrogenation of amines catalyzed by Ru-hydride complexes of amide-acid/ester ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5675","5684","10.1039/d4dt03201b","","","0.71073","MoKα","","0.0493","0.0416","","","0.0966","0.1004","","","","","","1.04","","","","has coordinates,has disorder","300902","2025-07-06","16:35:28",""
"7717993","15.0241","0.0002","19.0497","0.0003","17.0542","0.0003","90","","97.702","0.001","90","","4836.96","0.13","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H59 Cl N2 O8 P2 Ru -","- C52 H45 Cl N2 O4 P2 Ru -","- C208 H180 Cl4 N8 O16 P8 Ru4 -","4","1","","Yadav, Samanta; Gupta, Rajeev","Acceptorless oxidant-free dehydrogenation of amines catalyzed by Ru-hydride complexes of amide-acid/ester ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5675","5684","10.1039/d4dt03201b","","","0.71073","MoKα","","0.0405","0.0315","","","0.0819","0.0854","","","","","","1.083","","","","has coordinates","300902","2025-07-06","16:35:28",""
"7717994","10.6951","0.0005","16.8616","0.0008","20.6165","0.001","90","","90","","90","","3717.9","0.3","297.3","","297.3","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H56 Gd N3 Si2 -","- C33 H56 Gd N3 Si2 -","- C132 H224 Gd4 N12 Si8 -","4","1","","Guo, Dianjun; He, Jinqiang; Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui","Synthesis of 2,3-dihydroquinazolinimines and 1,3-diiminoisoindolines catalyzed by rare earth metal alkyl complexes through tandem addition/cyclization of nitriles with amines.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4484","4492","10.1039/d5dt00106d","","","0.71073","MoKα","","0.0342","0.0276","","","0.0555","0.0575","","","","","","1.023","","","","has coordinates","300970","2025-07-06","17:05:29",""
"7717995","10.6677","0.0009","16.8105","0.0014","20.5975","0.0017","90","","90","","90","","3693.7","0.5","297.3","","297.3","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H56 Lu N3 Si2 -","- C33 H56 Lu N3 Si2 -","- C132 H224 Lu4 N12 Si8 -","4","1","","Guo, Dianjun; He, Jinqiang; Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui","Synthesis of 2,3-dihydroquinazolinimines and 1,3-diiminoisoindolines catalyzed by rare earth metal alkyl complexes through tandem addition/cyclization of nitriles with amines.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4484","4492","10.1039/d5dt00106d","","","0.71073","MoKα","","0.0518","0.0343","","","0.0606","0.0653","","","","","","1.013","","","","has coordinates","300970","2025-07-06","17:05:29",""
"7717996","10.65","0.002","16.761","0.004","20.549","0.004","90","","90","","90","","3668.1","1.3","297.3","","297.3","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H56 N3 Si2 Yb -","- C33 H56 N3 Si2 Yb -","- C132 H224 N12 Si8 Yb4 -","4","1","","Guo, Dianjun; He, Jinqiang; Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui","Synthesis of 2,3-dihydroquinazolinimines and 1,3-diiminoisoindolines catalyzed by rare earth metal alkyl complexes through tandem addition/cyclization of nitriles with amines.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4484","4492","10.1039/d5dt00106d","","","0.71073","MoKα","","0.0579","0.0391","","","0.0666","0.0714","","","","","","1.019","","","","has coordinates","300970","2025-07-06","17:05:29",""
"7717997","10.9173","0.0014","11.7318","0.0013","13.9226","0.0018","74.158","0.003","75.58","0.004","68.158","0.003","1570.5","0.3","293.15","","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 N4 -","- C19 H16 N4 -","- C76 H64 N16 -","4","2","","Guo, Dianjun; He, Jinqiang; Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui","Synthesis of 2,3-dihydroquinazolinimines and 1,3-diiminoisoindolines catalyzed by rare earth metal alkyl complexes through tandem addition/cyclization of nitriles with amines.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4484","4492","10.1039/d5dt00106d","","x-ray","0.71073","MoKα","","0.205","0.0878","","","0.2209","0.2894","","","","","","1.025","","","","has coordinates","300970","2025-07-06","17:05:29",""
"7717998","10.6821","0.0007","16.8434","0.0011","20.6095","0.0013","90","","90","","90","","3708.1","0.4","297.3","","297.3","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H56 N3 Si2 Y -","- C33 H56 N3 Si2 Y -","- C132 H224 N12 Si8 Y4 -","4","1","","Guo, Dianjun; He, Jinqiang; Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui","Synthesis of 2,3-dihydroquinazolinimines and 1,3-diiminoisoindolines catalyzed by rare earth metal alkyl complexes through tandem addition/cyclization of nitriles with amines.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4484","4492","10.1039/d5dt00106d","","","0.71073","MoKα","","0.0886","0.0421","","","0.0747","0.0858","","","","","","0.97","","","","has coordinates","300970","2025-07-06","17:05:29",""
"7717999","10.4897","0.0015","14.543","0.002","11.5681","0.0014","90","","105.772","0.004","90","","1698.3","0.4","293.15","","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C84 H76 N12 -","4","1","","Guo, Dianjun; He, Jinqiang; Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui","Synthesis of 2,3-dihydroquinazolinimines and 1,3-diiminoisoindolines catalyzed by rare earth metal alkyl complexes through tandem addition/cyclization of nitriles with amines.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4484","4492","10.1039/d5dt00106d","","x-ray","0.71073","MoKα","","0.1157","0.0684","","","0.1668","0.2017","","","","","","1.062","","","","has coordinates","300970","2025-07-06","17:05:29",""
"7718000","19.0772","0.0015","11.2927","0.0009","18.0046","0.0015","90","","100.251","0.001","90","","3816.9","0.5","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H54 N5 O Y -","- C41 H54 N5 O Y -","- C164 H216 N20 O4 Y4 -","4","1","","Guo, Dianjun; He, Jinqiang; Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui","Synthesis of 2,3-dihydroquinazolinimines and 1,3-diiminoisoindolines catalyzed by rare earth metal alkyl complexes through tandem addition/cyclization of nitriles with amines.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4484","4492","10.1039/d5dt00106d","","x-ray","0.71073","MoKα","","0.0847","0.0458","","","0.1022","0.1159","","","","","","1.008","","","","has coordinates,has disorder","300970","2025-07-06","17:05:29",""
"7718001","12.553","0.0013","15.6876","0.0016","27.88","0.003","90","","98.07","0.002","90","","5435.9","1","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H70 N5 Y -","- C49 H70 N5 Y -","- C196 H280 N20 Y4 -","4","1","","Guo, Dianjun; He, Jinqiang; Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui","Synthesis of 2,3-dihydroquinazolinimines and 1,3-diiminoisoindolines catalyzed by rare earth metal alkyl complexes through tandem addition/cyclization of nitriles with amines.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4484","4492","10.1039/d5dt00106d","","","0.71073","MoKα","","0.1281","0.0664","","","0.1495","0.176","","","","","","1.017","","","","has coordinates","300970","2025-07-06","17:05:29",""
"7718002","10.86671","0.00012","18.7432","0.0002","11.11722","0.00012","90","","107.556","0.0012","90","","2158.85","0.04","120","0.1","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H70 N2 O4 Si2 Sr -","- C40 H70 N2 O4 Si2 Sr -","- C80 H140 N4 O8 Si4 Sr2 -","2","1","","Haynes, Matthew D.; O'Reilly, Andrea; Poole, Alice J. M.; Roper, Aisling F.; Thum, Stefan; Morris, Louis J.; Coles, Martyn P.; Fulton, J. Robin; Harder, Sjoerd; Turner, Zoë R; O'Hare, Dermot","Heavier alkaline earth and heterobimetallic s-block ""ate"" complexes of a di(amido)siloxane ligand: solid-state structure and dynamic solution-phase behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4542","4555","10.1039/d5dt00044k","","x-ray","1.54184","CuKα","","0.0277","0.027","","","0.0664","0.067","","","","","","1.022","","","","has coordinates","300964","2025-07-06","17:03:51",""
"7718003","30.63227","0.00012","10.88063","0.00005","19.72812","0.00008","90","","92.713","0.0004","90","","6567.98","0.05","150","0.2","150","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H98 N4 O2 Si4 Sr2 -","- C62 H98 N4 O2 Si4 Sr2 -","- C248 H392 N16 O8 Si16 Sr8 -","4","0.5","","Haynes, Matthew D.; O'Reilly, Andrea; Poole, Alice J. M.; Roper, Aisling F.; Thum, Stefan; Morris, Louis J.; Coles, Martyn P.; Fulton, J. Robin; Harder, Sjoerd; Turner, Zoë R; O'Hare, Dermot","Heavier alkaline earth and heterobimetallic s-block ""ate"" complexes of a di(amido)siloxane ligand: solid-state structure and dynamic solution-phase behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4542","4555","10.1039/d5dt00044k","","x-ray","1.54184","CuKα","","0.0221","0.0199","","","0.0523","0.0541","","","","","","1.047","","","","has coordinates","300964","2025-07-06","17:03:52",""
"7718004","30.8158","0.0002","10.5849","0.0001","19.6876","0.0002","90","","94.094","0.001","90","","6405.36","0.1","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H98 Ca2 N4 O2 Si4 -","- C62 H98 Ca2 N4 O2 Si4 -","- C248 H392 Ca8 N16 O8 Si16 -","4","0.5","","Haynes, Matthew D.; O'Reilly, Andrea; Poole, Alice J. M.; Roper, Aisling F.; Thum, Stefan; Morris, Louis J.; Coles, Martyn P.; Fulton, J. Robin; Harder, Sjoerd; Turner, Zoë R; O'Hare, Dermot","Heavier alkaline earth and heterobimetallic s-block ""ate"" complexes of a di(amido)siloxane ligand: solid-state structure and dynamic solution-phase behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4542","4555","10.1039/d5dt00044k","","x-ray","1.54184","CuKα","","0.0288","0.0272","","","0.0751","0.0767","","","","","","1.045","","","","has coordinates","300964","2025-07-06","17:03:52",""
"7718005","29.62654","0.00009","11.41698","0.00004","20.02024","0.00007","90","","93.5715","0.0003","90","","6758.61","0.04","150","0.2","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H98 Ba2 N4 O2 Si4 -","- C62 H98 Ba2 N4 O2 Si4 -","- C248 H392 Ba8 N16 O8 Si16 -","4","0.5","","Haynes, Matthew D.; O'Reilly, Andrea; Poole, Alice J. M.; Roper, Aisling F.; Thum, Stefan; Morris, Louis J.; Coles, Martyn P.; Fulton, J. Robin; Harder, Sjoerd; Turner, Zoë R; O'Hare, Dermot","Heavier alkaline earth and heterobimetallic s-block ""ate"" complexes of a di(amido)siloxane ligand: solid-state structure and dynamic solution-phase behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4542","4555","10.1039/d5dt00044k","","","1.54184","CuKα","","0.0179","0.0175","","","0.0455","0.0457","","","","","","1.024","","","","has coordinates","300964","2025-07-06","17:03:52",""
"7718006","11.5062","0.0003","19.0448","0.0006","20.7624","0.0006","88.998","0.002","80.12","0.002","75.017","0.003","4328.1","0.2","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C71 H131 Ca2 K2 N6 O2 Si8 -","- C71 H131 Ca2 K2 N6 O2 Si8 -","- C142 H262 Ca4 K4 N12 O4 Si16 -","2","1","","Haynes, Matthew D.; O'Reilly, Andrea; Poole, Alice J. M.; Roper, Aisling F.; Thum, Stefan; Morris, Louis J.; Coles, Martyn P.; Fulton, J. Robin; Harder, Sjoerd; Turner, Zoë R; O'Hare, Dermot","Heavier alkaline earth and heterobimetallic s-block ""ate"" complexes of a di(amido)siloxane ligand: solid-state structure and dynamic solution-phase behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4542","4555","10.1039/d5dt00044k","","x-ray","1.54184","CuKα","","0.0589","0.043","","","0.1079","0.1228","","","","","","1.043","","","","has coordinates,has disorder","300964","2025-07-06","17:03:52",""
"7718007","20.7134","0.0001","16.912","0.0001","24.6169","0.0001","90","","90.29","","90","","8623.31","0.07","150","2","150","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H128 Ba2 K2 N6 O2 Si8 -","- C68 H128 Ba2 K2 N6 O2 Si8 -","- C272 H512 Ba8 K8 N24 O8 Si32 -","4","2","","Haynes, Matthew D.; O'Reilly, Andrea; Poole, Alice J. M.; Roper, Aisling F.; Thum, Stefan; Morris, Louis J.; Coles, Martyn P.; Fulton, J. Robin; Harder, Sjoerd; Turner, Zoë R; O'Hare, Dermot","Heavier alkaline earth and heterobimetallic s-block ""ate"" complexes of a di(amido)siloxane ligand: solid-state structure and dynamic solution-phase behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4542","4555","10.1039/d5dt00044k","","x-ray","1.54184","CuKα","","0.0525","0.0499","","","0.1335","0.1355","","","","","","1.074","","","","has coordinates,has disorder","300964","2025-07-06","17:03:52",""
"7718008","24.5555","0.0002","20.693","0.0002","16.8114","0.0002","90","","90","","90","","8542.33","0.15","150","0.1","150","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C34 H64 K N3 O Si4 Sr -","- C34 H64 K N3 O Si4 Sr -","- C272 H512 K8 N24 O8 Si32 Sr8 -","8","2","","Haynes, Matthew D.; O'Reilly, Andrea; Poole, Alice J. M.; Roper, Aisling F.; Thum, Stefan; Morris, Louis J.; Coles, Martyn P.; Fulton, J. Robin; Harder, Sjoerd; Turner, Zoë R; O'Hare, Dermot","Heavier alkaline earth and heterobimetallic s-block ""ate"" complexes of a di(amido)siloxane ligand: solid-state structure and dynamic solution-phase behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4542","4555","10.1039/d5dt00044k","","x-ray","1.54184","CuKα","","0.0356","0.0309","","","0.0717","0.0747","","","","","","1.059","","","","has coordinates,has disorder","300964","2025-07-06","17:03:52",""
"7718009","10.30216","0.00017","20.9676","0.0004","18.5303","0.0003","90","","93.4268","0.0016","90","","3995.6","0.12","120.01","0.11","120.01","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H62 Ca N2 O3 Si2 -","- C36 H62 Ca N2 O3 Si2 -","- C144 H248 Ca4 N8 O12 Si8 -","4","1","","Haynes, Matthew D.; O'Reilly, Andrea; Poole, Alice J. M.; Roper, Aisling F.; Thum, Stefan; Morris, Louis J.; Coles, Martyn P.; Fulton, J. Robin; Harder, Sjoerd; Turner, Zoë R; O'Hare, Dermot","Heavier alkaline earth and heterobimetallic s-block ""ate"" complexes of a di(amido)siloxane ligand: solid-state structure and dynamic solution-phase behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4542","4555","10.1039/d5dt00044k","","x-ray","1.54184","CuKα","","0.0437","0.0369","","","0.0934","0.0985","","","","","","1.028","","","","has coordinates,has disorder","300964","2025-07-06","17:03:52",""
"7718010","31.405","0.003","10.7081","0.0009","19.7961","0.0013","90","","92.787","0.008","90","","6649.3","1","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H106 Ca2 N4 O2 Si4 -","- C62 H106 Ca2 N4 O2 Si4 -","- C248 H424 Ca8 N16 O8 Si16 -","4","0.5","","Haynes, Matthew D.; O'Reilly, Andrea; Poole, Alice J. M.; Roper, Aisling F.; Thum, Stefan; Morris, Louis J.; Coles, Martyn P.; Fulton, J. Robin; Harder, Sjoerd; Turner, Zoë R; O'Hare, Dermot","Heavier alkaline earth and heterobimetallic s-block ""ate"" complexes of a di(amido)siloxane ligand: solid-state structure and dynamic solution-phase behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4542","4555","10.1039/d5dt00044k","","x-ray","1.54184","CuKα","","0.1026","0.0584","","","0.1487","0.1835","","","","","","1.016","","","","has coordinates","300964","2025-07-06","17:03:52",""
"7718011","17.2911","0.0002","14.4444","0.0002","17.4395","0.0003","90","","90","","90","","4355.68","0.11","119.99","0.1","119.99","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C40 H70 Ba N2 O4 Si2 -","- C40 H70 Ba N2 O4 Si2 -","- C160 H280 Ba4 N8 O16 Si8 -","4","1","","Haynes, Matthew D.; O'Reilly, Andrea; Poole, Alice J. M.; Roper, Aisling F.; Thum, Stefan; Morris, Louis J.; Coles, Martyn P.; Fulton, J. Robin; Harder, Sjoerd; Turner, Zoë R; O'Hare, Dermot","Heavier alkaline earth and heterobimetallic s-block ""ate"" complexes of a di(amido)siloxane ligand: solid-state structure and dynamic solution-phase behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4542","4555","10.1039/d5dt00044k","","x-ray","1.54184","CuKα","","0.0215","0.0206","","","0.05","0.0505","","","","","","1.025","","","","has coordinates","300964","2025-07-06","17:03:52",""
"7718012","16.55505","0.00012","18.145","0.00012","17.16341","0.00013","90","","112.339","0.0009","90","","4768.81","0.07","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H72 K Mg N3 O Si4 -","- C41 H72 K Mg N3 O Si4 -","- C164 H288 K4 Mg4 N12 O4 Si16 -","4","1","","Haynes, Matthew D.; O'Reilly, Andrea; Poole, Alice J. M.; Roper, Aisling F.; Thum, Stefan; Morris, Louis J.; Coles, Martyn P.; Fulton, J. Robin; Harder, Sjoerd; Turner, Zoë R; O'Hare, Dermot","Heavier alkaline earth and heterobimetallic s-block ""ate"" complexes of a di(amido)siloxane ligand: solid-state structure and dynamic solution-phase behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4542","4555","10.1039/d5dt00044k","","x-ray","1.54184","CuKα","","0.0375","0.0342","","","0.0887","0.0915","","","","","","1.026","","","","has coordinates","300964","2025-07-06","17:03:52",""
"7718013","31.1544","0.0002","10.9816","0.0001","19.781","0.0001","90","","93.44","0.001","90","","6755.38","0.08","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H106 N4 O2 Si4 Sr2 -","- C56 H92 N4 O2 Si4 Sr2 -","- C224 H368 N16 O8 Si16 Sr8 -","4","0.5","","Haynes, Matthew D.; O'Reilly, Andrea; Poole, Alice J. M.; Roper, Aisling F.; Thum, Stefan; Morris, Louis J.; Coles, Martyn P.; Fulton, J. Robin; Harder, Sjoerd; Turner, Zoë R; O'Hare, Dermot","Heavier alkaline earth and heterobimetallic s-block ""ate"" complexes of a di(amido)siloxane ligand: solid-state structure and dynamic solution-phase behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4542","4555","10.1039/d5dt00044k","","x-ray","1.54184","CuKα","","0.0349","0.029","","","0.073","0.0787","","","","","","1.056","","","","has coordinates","300964","2025-07-06","17:03:52",""
"7718014","18.5088","0.0002","17.9946","0.0002","19.4082","0.0003","90","","109.429","0.001","90","","6095.97","0.14","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H92 Ba2 N4 O2 Si4 -","- C56 H92 Ba2 N4 O2 Si4 -","- C224 H368 Ba8 N16 O8 Si16 -","4","0.5","","Haynes, Matthew D.; O'Reilly, Andrea; Poole, Alice J. M.; Roper, Aisling F.; Thum, Stefan; Morris, Louis J.; Coles, Martyn P.; Fulton, J. Robin; Harder, Sjoerd; Turner, Zoë R; O'Hare, Dermot","Heavier alkaline earth and heterobimetallic s-block ""ate"" complexes of a di(amido)siloxane ligand: solid-state structure and dynamic solution-phase behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4542","4555","10.1039/d5dt00044k","","","1.54184","CuKα","","0.0198","0.0193","","","0.0506","0.0508","","","","","","1.064","","","","has coordinates","300964","2025-07-06","17:03:52",""
"7718015","21.3834","0.0003","13.9337","0.0002","27.23","0.0003","90","","102.008","0.001","90","","7935.65","0.18","150","2","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H108 Mg2 N4 O4 Si4 -","- C64 H108 Mg2 N4 O4 Si4 -","- C256 H432 Mg8 N16 O16 Si16 -","4","1","","Haynes, Matthew D.; O'Reilly, Andrea; Poole, Alice J. M.; Roper, Aisling F.; Thum, Stefan; Morris, Louis J.; Coles, Martyn P.; Fulton, J. Robin; Harder, Sjoerd; Turner, Zoë R; O'Hare, Dermot","Heavier alkaline earth and heterobimetallic s-block ""ate"" complexes of a di(amido)siloxane ligand: solid-state structure and dynamic solution-phase behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4542","4555","10.1039/d5dt00044k","","x-ray","1.54184","CuKα","","0.0402","0.0337","","","0.0884","0.0913","","","","","","1.042","","","","has coordinates,has disorder","300964","2025-07-06","17:03:52",""
"7718016","13.2992","0.0001","35.737","0.0003","15.6209","0.0002","90","","103.022","0.001","90","","7233.28","0.13","120","2","119.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H114 Mg2 N4 O3 Si4 -","- C66 H114 Mg2 N4 O3 Si4 -","- C264 H456 Mg8 N16 O12 Si16 -","4","1","","Haynes, Matthew D.; O'Reilly, Andrea; Poole, Alice J. M.; Roper, Aisling F.; Thum, Stefan; Morris, Louis J.; Coles, Martyn P.; Fulton, J. Robin; Harder, Sjoerd; Turner, Zoë R; O'Hare, Dermot","Heavier alkaline earth and heterobimetallic s-block ""ate"" complexes of a di(amido)siloxane ligand: solid-state structure and dynamic solution-phase behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4542","4555","10.1039/d5dt00044k","","x-ray","1.54184","CuKα","","0.0565","0.0528","","","0.1466","0.1499","","","","","","1.033","","","","has coordinates,has disorder","300964","2025-07-06","17:03:52",""
"7718017","10.2015","0.0001","10.2015","0.0001","45.3252","0.0006","90","","90","","120","","4085.06","0.08","299.99","0.1","299.99","0.1","","","","","","","","6","P 63/m","-P 6c","176","","","","- C7.05 H12.8 Cl3 K N2 O12 -","- C7.04996 H12.7998 Cl3 K N2 O12 -","- C70.4996 H127.998 Cl30 K10 N20 O120 -","10","0.833333","","Liu, Yu-Si; Xu, Zhe-Kun; Zhang, Jia-Mei; Chen, Xiao-Gang; Qin, Yan; Wang, Zhong-Xia","Three-dimensional perchlorate-based alkali metal hybrid perovskite molecular ferroelastic crystals.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4706","4714","10.1039/d4dt03416c","","x-ray","1.54184","CuKα","","0.0465","0.0392","","","0.113","0.1202","","","","","","1.038","","","","has coordinates,has disorder","300978","2025-07-06","17:10:18",""
"7718018","7.7239","0.0006","7.7239","0.0006","7.7239","0.0006","90","","90","","90","","460.8","0.06","413","0.1","413","0.1","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C8 Cl3 Cs O12 -","- C8.0004 Cl3 Cs O12 -","- C8.0004 Cl3 Cs O12 -","1","0.0208333","","Liu, Yu-Si; Xu, Zhe-Kun; Zhang, Jia-Mei; Chen, Xiao-Gang; Qin, Yan; Wang, Zhong-Xia","Three-dimensional perchlorate-based alkali metal hybrid perovskite molecular ferroelastic crystals.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4706","4714","10.1039/d4dt03416c","","x-ray","1.54184","CuKα","","0.0723","0.0647","","","0.156","0.1629","","","","","","1.163","","","","has coordinates","300978","2025-07-06","17:10:18",""
"7718019","7.5234","0.0006","7.5234","0.0006","7.5234","0.0006","90","","90","","90","","425.84","0.06","373","0.12","373","0.12","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C8 Cl3 K O12 -","- C8.0004 Cl3 K O12 -","- C8.0004 Cl3 K O12 -","1","0.0208333","","Liu, Yu-Si; Xu, Zhe-Kun; Zhang, Jia-Mei; Chen, Xiao-Gang; Qin, Yan; Wang, Zhong-Xia","Three-dimensional perchlorate-based alkali metal hybrid perovskite molecular ferroelastic crystals.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4706","4714","10.1039/d4dt03416c","","x-ray","1.54184","CuKα","","0.1168","0.1093","","","0.2852","0.2884","","","","","","1.116","","","","has coordinates","300978","2025-07-06","17:10:18",""
"7718020","10.583","0.0003","10.9576","0.0003","15.4652","0.0003","90","","90","","90","","1793.41","0.08","363","0.1","363","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C8 Cl3 Cs O12 -","- C8 Cl3 Cs O12 -","- C32 Cl12 Cs4 O48 -","4","0.25","","Liu, Yu-Si; Xu, Zhe-Kun; Zhang, Jia-Mei; Chen, Xiao-Gang; Qin, Yan; Wang, Zhong-Xia","Three-dimensional perchlorate-based alkali metal hybrid perovskite molecular ferroelastic crystals.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4706","4714","10.1039/d4dt03416c","","x-ray","1.54184","CuKα","","0.1141","0.1101","","","0.2725","0.2745","","","","","","0.995","","","","has coordinates","300978","2025-07-06","17:10:18",""
"7718021","10.2651","0.0002","10.2651","0.0002","45.4929","0.0009","90","","90","","120","","4151.46","0.14","362.98","0.13","362.98","0.13","","","","","","","","6","P 63/m","-P 6c","176","","","","- C7 H12.8 Cl3 K N2 O12 -","- C7 H12.7998 Cl3 K N2 O12 -","- C70 H127.998 Cl30 K10 N20 O120 -","10","0.833333","","Liu, Yu-Si; Xu, Zhe-Kun; Zhang, Jia-Mei; Chen, Xiao-Gang; Qin, Yan; Wang, Zhong-Xia","Three-dimensional perchlorate-based alkali metal hybrid perovskite molecular ferroelastic crystals.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4706","4714","10.1039/d4dt03416c","","x-ray","1.54184","CuKα","","0.0486","0.0407","","","0.125","0.1326","","","","","","1.056","","","","has coordinates,has disorder","300978","2025-07-06","17:10:18",""
"7718022","7.5772","0.001","7.5772","0.001","7.5772","0.001","90","","90","","90","","435.04","0.1","422.9","0.2","422.9","0.2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C8 Cl3 K O12 -","- C8.0004 Cl3 K O12 -","- C8.0004 Cl3 K O12 -","1","0.0208333","","Liu, Yu-Si; Xu, Zhe-Kun; Zhang, Jia-Mei; Chen, Xiao-Gang; Qin, Yan; Wang, Zhong-Xia","Three-dimensional perchlorate-based alkali metal hybrid perovskite molecular ferroelastic crystals.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4706","4714","10.1039/d4dt03416c","","x-ray","1.54184","CuKα","","0.1331","0.125","","","0.306","0.3117","","","","","","0.917","","","","has coordinates","300978","2025-07-06","17:10:18",""
"7718023","7.5901","0.0003","7.5901","0.0003","7.5901","0.0003","90","","90","","90","","437.26","0.03","393","0.1","393","0.1","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C8 Cl3 O12 Rb -","- C8.0004 Cl3 O12 Rb -","- C8.0004 Cl3 O12 Rb -","1","0.0208333","","Liu, Yu-Si; Xu, Zhe-Kun; Zhang, Jia-Mei; Chen, Xiao-Gang; Qin, Yan; Wang, Zhong-Xia","Three-dimensional perchlorate-based alkali metal hybrid perovskite molecular ferroelastic crystals.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4706","4714","10.1039/d4dt03416c","","x-ray","1.54184","CuKα","","0.0686","0.0675","","","0.1793","0.1803","","","","","","0.993","","","","has coordinates","300978","2025-07-06","17:10:19",""
"7718024","15.05583","0.00019","10.39932","0.00012","10.67058","0.00013","90","","96.6675","0.0011","90","","1659.4","0.04","299","3","299","3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl3 F K N2 O12 -","- C7 H15 Cl3 F K N2 O12 -","- C28 H60 Cl12 F4 K4 N8 O48 -","4","1","","Liu, Yu-Si; Xu, Zhe-Kun; Zhang, Jia-Mei; Chen, Xiao-Gang; Qin, Yan; Wang, Zhong-Xia","Three-dimensional perchlorate-based alkali metal hybrid perovskite molecular ferroelastic crystals.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4706","4714","10.1039/d4dt03416c","","x-ray","1.54184","CuKα","","0.0452","0.0416","","","0.1249","0.1297","","","","","","1.01","","","","has coordinates","300978","2025-07-06","17:10:19",""
"7718025","15.357","0.0002","10.64331","0.00015","10.84725","0.00018","90","","97.6196","0.0015","90","","1757.32","0.05","300","0.1","300","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl3 Cs F N2 O12 -","- C7 H15 Cl3 Cs F N2 O12 -","- C28 H60 Cl12 Cs4 F4 N8 O48 -","4","1","","Liu, Yu-Si; Xu, Zhe-Kun; Zhang, Jia-Mei; Chen, Xiao-Gang; Qin, Yan; Wang, Zhong-Xia","Three-dimensional perchlorate-based alkali metal hybrid perovskite molecular ferroelastic crystals.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4706","4714","10.1039/d4dt03416c","","x-ray","1.54184","CuKα","","0.06","0.0553","","","0.1697","0.175","","","","","","1.14","","","","has coordinates,has disorder","300978","2025-07-06","17:10:19",""
"7718026","15.145","0.0006","10.4572","0.0003","10.7673","0.0004","90","","96.65","0.003","90","","1693.79","0.1","300","2","300","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl3 F N2 O12 Rb -","- C7 H15 Cl3 F N2 O12 Rb -","- C28 H60 Cl12 F4 N8 O48 Rb4 -","4","1","","Liu, Yu-Si; Xu, Zhe-Kun; Zhang, Jia-Mei; Chen, Xiao-Gang; Qin, Yan; Wang, Zhong-Xia","Three-dimensional perchlorate-based alkali metal hybrid perovskite molecular ferroelastic crystals.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4706","4714","10.1039/d4dt03416c","","x-ray","0.71","MoKα","","0.0593","0.0419","","","0.0946","0.1003","","","","","","1.042","","","","has coordinates","300978","2025-07-06","17:10:19",""
"7718027","7.633","0.0006","7.633","0.0006","7.633","0.0006","90","","90","","90","","444.72","0.06","432.9","0.2","432.9","0.2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C8 Cl3 O12 Rb -","- C8.0004 Cl3 O12 Rb -","- C8.0004 Cl3 O12 Rb -","1","0.0208333","","Liu, Yu-Si; Xu, Zhe-Kun; Zhang, Jia-Mei; Chen, Xiao-Gang; Qin, Yan; Wang, Zhong-Xia","Three-dimensional perchlorate-based alkali metal hybrid perovskite molecular ferroelastic crystals.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4706","4714","10.1039/d4dt03416c","","x-ray","0.71073","MoKα","","0.1486","0.1072","","","0.2418","0.2743","","","","","","1.036","","","","has coordinates","300978","2025-07-06","17:10:19",""
"7718028","20.9513","0.0016","19.9583","0.0016","25.322","0.002","90","","101.165","0.004","90","","10388.1","1.4","195","2","195","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H112 Dy4 N8 Ni8 O42 -","- C80 H100 Dy4 N8 Ni8 O36 -","- C320 H400 Dy16 N32 Ni32 O144 -","4","0.5","","Tziotzi, Thomais G.; Agapaki, Eleftheria; Charkiolakis, Emmanouil K.; Gracia, David; Ubach I Cervera, Marc; Dalgarno, Scott J.; Evangelisti, Marco; Brechin, Euan K.; Milios, Constantinos J.","Dodecanuclear [NiII8Ln<sub>4</sub>] clusters and rings of corner-sharing {NiII2Ln<sub>2</sub>} cubanes (Ln = Dy, Gd, Y); magnetic and magnetothermal properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4664","4671","10.1039/d5dt00175g","","","0.71073","MoKα","","0.0579","0.0402","","","0.0972","0.1076","","","","","","1.018","","","","has coordinates,has disorder","300973","2025-07-06","17:07:58",""
"7718029","20.9054","0.0007","19.9035","0.0006","26.4714","0.0008","90","","101.376","0.001","90","","10798.1","0.6","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H120 N8 Ni8 O46 Y4 -","- C80 H100 N8 Ni8 O36 Y4 -","- C320 H400 N32 Ni32 O144 Y16 -","4","0.5","","Tziotzi, Thomais G.; Agapaki, Eleftheria; Charkiolakis, Emmanouil K.; Gracia, David; Ubach I Cervera, Marc; Dalgarno, Scott J.; Evangelisti, Marco; Brechin, Euan K.; Milios, Constantinos J.","Dodecanuclear [NiII8Ln<sub>4</sub>] clusters and rings of corner-sharing {NiII2Ln<sub>2</sub>} cubanes (Ln = Dy, Gd, Y); magnetic and magnetothermal properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4664","4671","10.1039/d5dt00175g","","","0.71073","MoKα","","0.1236","0.0528","","","0.1107","0.1348","","","","","","1.009","","","","has coordinates,has disorder","300973","2025-07-06","17:07:59",""
"7718030","20.9663","0.001","20.0465","0.0009","26.2609","0.0013","90","","101.119","0.002","90","","10830.3","0.9","210","2","210","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H148 Gd4 N8 Ni8 O60 -","- C80 H100 Gd4 N8 Ni8 O36 -","- C320 H400 Gd16 N32 Ni32 O144 -","4","0.5","","Tziotzi, Thomais G.; Agapaki, Eleftheria; Charkiolakis, Emmanouil K.; Gracia, David; Ubach I Cervera, Marc; Dalgarno, Scott J.; Evangelisti, Marco; Brechin, Euan K.; Milios, Constantinos J.","Dodecanuclear [NiII8Ln<sub>4</sub>] clusters and rings of corner-sharing {NiII2Ln<sub>2</sub>} cubanes (Ln = Dy, Gd, Y); magnetic and magnetothermal properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4664","4671","10.1039/d5dt00175g","","","0.71073","MoKα","","0.0613","0.0514","","","0.117","0.1225","","","","","","1.082","","","","has coordinates,has disorder","300973","2025-07-06","17:07:59",""
"7718031","16.7789","0.0006","8.1818","0.0003","20.3388","0.0006","90","","105.749","0.0011","90","","2687.33","0.16","103","","103","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Cu2 F6 N10 O11 S2 -","- C48 H48 Cu2 F6 N10 O11 S2 -","- C96 H96 Cu4 F12 N20 O22 S4 -","2","0.5","","Morimoto, Yuma; Inoue, Keisuke; Itoh, Shinobu","Reactivity of copper(i) complexes supported by tripodal nitrogen-containing tetradentate ligands toward gaseous diatomic molecules, NO, CO and O2","Dalton Transactions","2025","54","13","5327","5333","10.1039/D4DT03001J","","","0.71073","MoKα","","0.0551","0.0406","","","0.1073","0.115","","","","","","1.088","","","","has coordinates,has disorder","300881","2025-07-06","16:27:14",""
"7718032","9.5052","0.0006","13.2148","0.0009","15.9584","0.0012","66.2124","0.0019","78.309","0.002","79.4556","0.0019","1784.7","0.2","103","","103","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H27 Cu F3 N6 O5 S -","- C36 H27 Cu F3 N6 O5 S -","- C72 H54 Cu2 F6 N12 O10 S2 -","2","1","","Morimoto, Yuma; Inoue, Keisuke; Itoh, Shinobu","Reactivity of copper(i) complexes supported by tripodal nitrogen-containing tetradentate ligands toward gaseous diatomic molecules, NO, CO and O2","Dalton Transactions","2025","54","13","5327","5333","10.1039/D4DT03001J","","","0.71075","MoKα","","0.0662","0.0621","","","0.1784","0.1832","","","","","","1.037","","","","has coordinates,has disorder","300881","2025-07-06","16:27:15",""
"7718033","11.0382","0.0006","12.5307","0.0006","12.775","0.0007","87.196","0.0017","86.389","0.0017","86","0.0014","1757.43","0.16","143","","143","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H51 Cu F3 N12 O5 S -","- C24 H51 Cu F3 N12 O5 S -","- C48 H102 Cu2 F6 N24 O10 S2 -","2","1","","Morimoto, Yuma; Inoue, Keisuke; Itoh, Shinobu","Reactivity of copper(i) complexes supported by tripodal nitrogen-containing tetradentate ligands toward gaseous diatomic molecules, NO, CO and O2","Dalton Transactions","2025","54","13","5327","5333","10.1039/D4DT03001J","","","0.71073","MoKα","","0.0377","0.0318","","","0.0823","0.0854","","","","","","1.1","","","","has coordinates,has disorder","300881","2025-07-06","16:27:15",""
"7718034","17.1274","0.0002","17.2676","0.0003","19.275","0.0003","115.38","0.002","95.027","0.001","104.823","0.001","4850.3","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H74 N18 O12 Pd2 -","- C70 H74 N18 O12 Pd2 -","- C140 H148 N36 O24 Pd4 -","2","1","","Jin, Qi-Qi; Duan, Xiao-Fang; Yan, Dan-Ni; Yin, Fan; Li, Chen-Chen; Zhou, Li-Peng; Cai, Li-Xuan; Sun, Qing-Fu","A stimuli-responsive dimeric capsule built from an acridine-based metallacycle for ratiometric fluorescence sensing of TNP.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4998","5005","10.1039/d4dt03334e","","","0.71073","MoKα","","0.0742","0.0592","","","0.2113","0.2256","","","","","","0.933","","","","has coordinates","300991","2025-07-06","17:14:55",""
"7718035","18.3119","0.0009","19.3604","0.0009","24.2054","0.0013","93.079","0.002","108.015","0.002","106.125","0.002","7747.6","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H130 Dy3 Mn5 N22 O39 -","- C90 H130 Dy3 Mn5 N22 O39 -","- C180 H260 Dy6 Mn10 N44 O78 -","2","1","","Jiang, Jia-Rong; Zhu, Yu-Jie; Li, Wei-Nan; Zhou, Yang; Wang, Hui-Sheng","Semiquantitative studies on the correlations between the electrostatic potential of a single Dy<sup>III</sup> ion and its energy barrier in the containing-Dy<sup>III</sup> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5050","5060","10.1039/d5dt00017c","","","1.34138","GaKα","","0.0951","0.0638","","","0.1542","0.1701","","","","","","1.093","","","","has coordinates","300986","2025-07-06","17:13:21",""
"7718036","20.154","0.004","12.249","0.003","21.588","0.005","90","","111.568","0.006","90","","4956.2","1.9","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H140 Al4 Cl8 N4 O4 Si4 -","- C84 H140 Al4 Cl8 N4 O4 Si4 -","- C168 H280 Al8 Cl16 N8 O8 Si8 -","2","0.5","","Tsui, Tz-Ching; Lan, Hao-Yuan; Li, Han-Jung; Kuo, Ting-Shen; Liu, Hsueh-Ju","Flexible bidentate aluminum Lewis acids for host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5311","5318","10.1039/d4dt03288h","","","0.71073","MoKα","","0.2031","0.123","","","0.3386","0.4032","","","","","","1.026","","","","has coordinates,has disorder","300875","2025-07-06","16:25:14",""
"7718037","14.257","0.006","8.838","0.004","21.438","0.009","90","","90.02","0.01","90","","2701","2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Al2 Cl4 N6 Si2 -","- C48 H70 Al2 Cl4 N6 Si2 -","- C96 H140 Al4 Cl8 N12 Si4 -","2","0.5","","Tsui, Tz-Ching; Lan, Hao-Yuan; Li, Han-Jung; Kuo, Ting-Shen; Liu, Hsueh-Ju","Flexible bidentate aluminum Lewis acids for host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5311","5318","10.1039/d4dt03288h","","","0.71073","MoKα","","0.1916","0.0836","","","0.1758","0.2305","","","","","","1.03","","","","has coordinates","300875","2025-07-06","16:25:15",""
"7718038","29.643","0.004","11.0482","0.0013","15.368","0.002","90","","94.938","0.004","90","","5014.4","1.1","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H64 Al2 Cl4 N4 Si2 -","- C44 H64 Al2 Cl4 N4 Si2 -","- C176 H256 Al8 Cl16 N16 Si8 -","4","0.5","","Tsui, Tz-Ching; Lan, Hao-Yuan; Li, Han-Jung; Kuo, Ting-Shen; Liu, Hsueh-Ju","Flexible bidentate aluminum Lewis acids for host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5311","5318","10.1039/d4dt03288h","","","0.71073","MoKα","","0.1456","0.0748","","","0.1255","0.1498","","","","","","1.032","","","","has coordinates","300875","2025-07-06","16:25:15",""
"7718039","30.424","0.002","13.1426","0.0009","13.4477","0.001","90","","107.722","0.002","90","","5121.9","0.6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H76 Al2 Cl4 O2 Si2 -","- C44 H76 Al2 Cl4 O2 Si2 -","- C176 H304 Al8 Cl16 O8 Si8 -","4","0.5","","Tsui, Tz-Ching; Lan, Hao-Yuan; Li, Han-Jung; Kuo, Ting-Shen; Liu, Hsueh-Ju","Flexible bidentate aluminum Lewis acids for host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5311","5318","10.1039/d4dt03288h","","","0.71073","MoKα","","0.1069","0.0782","","","0.1807","0.1967","","","","","","1.085","","","","has coordinates","300875","2025-07-06","16:25:15",""
"7718040","8.9257","0.0009","10.0525","0.001","13.5513","0.0016","83.306","0.003","79.441","0.003","80.105","0.003","1173","0.2","200","2","200","2","","","","","","","","6","P 1","P 1","1","","","","- C42 H56 Al2 Cl4 N4 Si2 -","- C42 H56 Al2 Cl4 N4 Si2 -","- C42 H56 Al2 Cl4 N4 Si2 -","1","1","","Tsui, Tz-Ching; Lan, Hao-Yuan; Li, Han-Jung; Kuo, Ting-Shen; Liu, Hsueh-Ju","Flexible bidentate aluminum Lewis acids for host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5311","5318","10.1039/d4dt03288h","","","0.71073","MoKα","","0.108","0.092","","","0.285","0.2992","","","","","","1.044","","","","has coordinates","300875","2025-07-06","16:25:15",""
"7718041","9.898","0.003","14.727","0.004","16.692","0.004","90","","90.3","0.012","90","","2433.1","1.1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H58 Al2 Cl4 N6 Si2 -","- C42 H58 Al2 Cl4 N6 Si2 -","- C84 H116 Al4 Cl8 N12 Si4 -","2","0.5","","Tsui, Tz-Ching; Lan, Hao-Yuan; Li, Han-Jung; Kuo, Ting-Shen; Liu, Hsueh-Ju","Flexible bidentate aluminum Lewis acids for host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5311","5318","10.1039/d4dt03288h","","","0.71073","MoKα","","0.0782","0.0438","","","0.0902","0.1112","","","","","","1.045","","","","has coordinates","300875","2025-07-06","16:25:15",""
"7718042","11.1488","0.0007","13.9273","0.001","14.8262","0.0011","104.981","0.002","90.704","0.002","96.782","0.002","2206.1","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H54 Al2 Cl4 N4 Si2 -","- C38 H54 Al2 Cl4 N4 Si2 -","- C76 H108 Al4 Cl8 N8 Si4 -","2","1","","Tsui, Tz-Ching; Lan, Hao-Yuan; Li, Han-Jung; Kuo, Ting-Shen; Liu, Hsueh-Ju","Flexible bidentate aluminum Lewis acids for host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5311","5318","10.1039/d4dt03288h","","","0.71073","MoKα","","0.0695","0.0403","","","0.096","0.1214","","","","","","1.124","","","","has coordinates","300875","2025-07-06","16:25:15",""
"7718043","18.694","0.003","11.3202","0.0016","21.709","0.003","90","","91.315","0.004","90","","4592.8","1.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 Al2 Cl4 N2 Si2 -","- C40 H60 Al2 Cl4 N2 Si2 -","- C160 H240 Al8 Cl16 N8 Si8 -","4","1","","Tsui, Tz-Ching; Lan, Hao-Yuan; Li, Han-Jung; Kuo, Ting-Shen; Liu, Hsueh-Ju","Flexible bidentate aluminum Lewis acids for host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5311","5318","10.1039/d4dt03288h","","","0.71073","MoKα","","0.0741","0.0461","","","0.1097","0.1285","","","","","","1.058","","","","has coordinates","300875","2025-07-06","16:25:15",""
"7718044","18.184","0.002","10.2631","0.0012","27.735","0.003","90","","94.243","0.003","90","","5161.8","1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C95 H124 Al4 Cl8 N8 Si4 -","- C95 H124 Al4 Cl8 N8 Si4 -","- C190 H248 Al8 Cl16 N16 Si8 -","2","0.5","","Tsui, Tz-Ching; Lan, Hao-Yuan; Li, Han-Jung; Kuo, Ting-Shen; Liu, Hsueh-Ju","Flexible bidentate aluminum Lewis acids for host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5311","5318","10.1039/d4dt03288h","","","0.71073","MoKα","","0.125","0.0575","","","0.1182","0.1499","","","","","","1.05","","","","has coordinates","300875","2025-07-06","16:25:15",""
"7718045","14.8758","0.0003","13.233","0.0002","7.0773","0.0001","90","","95.263","0.002","90","","1387.3","0.04","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Ca N2 O5 -","- C13 H14 Ca N2 O5 -","- C52 H56 Ca4 N8 O20 -","4","1","","Teixeira, Michaël; Louis, Benoît; Baudron, Stéphane A","A blessing and a curse: impact of urea derivatives on the secondary building unit of Ca-MOFs prepared in deep eutectic solvents.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5006","5016","10.1039/d4dt03254c","","x-ray","0.67199","synchrotron","","0.0438","0.0408","","","0.1179","0.1202","","","","","","1.053","","","","has coordinates","300985","2025-07-06","17:13:09",""
"7718046","5.5041","0.0007","8.0865","0.001","11.607","0.0015","102.901","0.006","95.514","0.006","104.903","0.006","480.13","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Ca N6 O6 -","- C18 H18 Ca N6 O6 -","- C18 H18 Ca N6 O6 -","1","0.5","","Teixeira, Michaël; Louis, Benoît; Baudron, Stéphane A","A blessing and a curse: impact of urea derivatives on the secondary building unit of Ca-MOFs prepared in deep eutectic solvents.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5006","5016","10.1039/d4dt03254c","","","1.54178","CuKα","","0.0396","0.0378","","","0.1066","0.108","","","","","","1.168","","","","has coordinates","300985","2025-07-06","17:13:09",""
"7718047","6.7548","0.0003","10.3671","0.0007","22.5867","0.0012","90","","90","","90","","1581.69","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Ca N2 O5 -","- C15 H14 Ca N2 O5 -","- C60 H56 Ca4 N8 O20 -","4","1","","Teixeira, Michaël; Louis, Benoît; Baudron, Stéphane A","A blessing and a curse: impact of urea derivatives on the secondary building unit of Ca-MOFs prepared in deep eutectic solvents.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5006","5016","10.1039/d4dt03254c","","","0.71073","MoKα","","0.0754","0.0499","","","0.1027","0.1145","","","","","","1.03","","","","has coordinates","300985","2025-07-06","17:13:09",""
"7718048","18.32","0.004","10.321","0.002","21.059","0.004","90","","92.454","0.014","90","","3978.2","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Ca N6 O6 -","- C18 H18 Ca N6 O6 -","- C144 H144 Ca8 N48 O48 -","8","1","","Teixeira, Michaël; Louis, Benoît; Baudron, Stéphane A","A blessing and a curse: impact of urea derivatives on the secondary building unit of Ca-MOFs prepared in deep eutectic solvents.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5006","5016","10.1039/d4dt03254c","","","0.71073","MoKα","","0.1117","0.0549","","","0.1252","0.1511","","","","","","1.012","","","","has coordinates","300985","2025-07-06","17:13:09",""
"7718049","6.9289","0.0005","9.9247","0.0006","25.2185","0.0015","90","","90","","90","","1734.21","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Ca N2 O5 -","- C17 H14 Ca N2 O5 -","- C68 H56 Ca4 N8 O20 -","4","1","","Teixeira, Michaël; Louis, Benoît; Baudron, Stéphane A","A blessing and a curse: impact of urea derivatives on the secondary building unit of Ca-MOFs prepared in deep eutectic solvents.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5006","5016","10.1039/d4dt03254c","","","0.71073","MoKα","","0.0929","0.0548","","","0.1006","0.1153","","","","","","1.014","","","","has coordinates","300985","2025-07-06","17:13:09",""
"7718050","17.0794","0.0014","14.0942","0.0013","14.5031","0.0011","90","","90","","90","","3491.2","0.5","173","2","173","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C13 H8 Ca F6 N2 O5 -","- C13 H8 Ca F6 N2 O5 -","- C104 H64 Ca8 F48 N16 O40 -","8","2","","Teixeira, Michaël; Louis, Benoît; Baudron, Stéphane A","A blessing and a curse: impact of urea derivatives on the secondary building unit of Ca-MOFs prepared in deep eutectic solvents.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5006","5016","10.1039/d4dt03254c","","","0.71073","MoKα","","0.1485","0.0588","","","0.0937","0.1199","","","","","","0.96","","","","has coordinates","300985","2025-07-06","17:13:09",""
"7718051","6.7013","0.0003","24.4469","0.0008","8.5707","0.0003","90","","90","","90","","1404.1","0.09","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H12 Ca N2 O5 -","- C13 H12 Ca N2 O5 -","- C52 H48 Ca4 N8 O20 -","4","0.5","","Teixeira, Michaël; Louis, Benoît; Baudron, Stéphane A","A blessing and a curse: impact of urea derivatives on the secondary building unit of Ca-MOFs prepared in deep eutectic solvents.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5006","5016","10.1039/d4dt03254c","","","0.71073","MoKα","","0.0577","0.0431","","","0.0898","0.0954","","","","","","1.124","","","","has coordinates,has disorder","300985","2025-07-06","17:13:09",""
"7718052","27.005","0.003","7.5912","0.0009","19.392","0.002","90","","124.491","0.003","90","","3276.6","0.6","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 Br4 Ca2 N6 O11 -","- C25 H22 Br4 Ca2 N6 O11 -","- C100 H88 Br16 Ca8 N24 O44 -","4","0.5","","Teixeira, Michaël; Louis, Benoît; Baudron, Stéphane A","A blessing and a curse: impact of urea derivatives on the secondary building unit of Ca-MOFs prepared in deep eutectic solvents.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5006","5016","10.1039/d4dt03254c","","","0.71073","MoKα","","0.0973","0.053","","","0.0894","0.108","","","","","","1.022","","","","has coordinates,has disorder","300985","2025-07-06","17:13:09",""
"7718053","29.6335","0.0016","6.6713","0.0003","19.3696","0.001","90","","130.396","0.003","90","","2916.3","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Ca N2 O5 -","- C15 H12 Ca N2 O5 -","- C120 H96 Ca8 N16 O40 -","8","1","","Teixeira, Michaël; Louis, Benoît; Baudron, Stéphane A","A blessing and a curse: impact of urea derivatives on the secondary building unit of Ca-MOFs prepared in deep eutectic solvents.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5006","5016","10.1039/d4dt03254c","","","1.54178","CuKα","","0.0868","0.0803","","","0.2232","0.2342","","","","","","1.1","","","","has coordinates,has disorder","300985","2025-07-06","17:13:09",""
"7718054","10.277","0.0005","6.86","0.0003","25.2747","0.0011","90","","96.901","0.002","90","","1768.96","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Ca N4 O5 -","- C17 H14 Ca N4 O5 -","- C68 H56 Ca4 N16 O20 -","4","1","","Teixeira, Michaël; Louis, Benoît; Baudron, Stéphane A","A blessing and a curse: impact of urea derivatives on the secondary building unit of Ca-MOFs prepared in deep eutectic solvents.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5006","5016","10.1039/d4dt03254c","","","0.71073","MoKα","","0.0765","0.0438","","","0.0871","0.0976","","","","","","1.036","","","","has coordinates","300985","2025-07-06","17:13:09",""
"7718055","21.8274","0.0009","21.8274","0.0009","7.3392","0.0004","90","","90","","90","","3496.7","0.3","173","2","173","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C35 H28 Ca2 N4 O10 -","- C35 H28 Ca2 N4 O10 -","- C140 H112 Ca8 N16 O40 -","4","0.25","","Teixeira, Michaël; Louis, Benoît; Baudron, Stéphane A","A blessing and a curse: impact of urea derivatives on the secondary building unit of Ca-MOFs prepared in deep eutectic solvents.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5006","5016","10.1039/d4dt03254c","","","0.71073","MoKα","","0.0598","0.0439","","","0.102","0.1112","","","","","","1.057","","","","has coordinates,has disorder","300985","2025-07-06","17:13:09",""
"7718056","14.0034","0.0011","12.3704","0.0009","30.741","0.002","90","","94.759","0.003","90","","5306.8","0.7","120","2","120.01","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H64 Cl4 F12 Ir2 N8 O2 P2 -","- C41 H64 Cl4 F12 Ir2 N8 O2 P2 -","- C164 H256 Cl16 F48 Ir8 N32 O8 P8 -","4","1","","Alrais, Lujain; Dutta, Indranil; Hengne, Amol; Chakraborty, Priyanka; Abou-Hamad, Edy; Xi, Shibo; Rahman, Mohammad Misbahur; Zhang, Jia; Chen, Benjamin W. J.; Basset, Jean-Marie; Huang, Kuo-Wei","A picolinamide iridium catalyst immobilized on an aluminum-hydride anchor for the selective dehydrogenation of neat formic acid.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5119","5127","10.1039/d4dt03521f","","","0.71073","MoKα","","0.1501","0.1065","","","0.2784","0.2938","","","","","","1.665","","","","has coordinates","300989","2025-07-06","17:14:17",""
"7718057","8.559","0.002","9.997","0.002","14.569","0.003","104.46","0.03","90.63","0.03","113.81","0.03","1095.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl4 N2 O4 Pd -","- C20 H18 Cl4 N2 O4 Pd -","- C40 H36 Cl8 N4 O8 Pd2 -","2","1","","Scattolin, Thomas; Cavarzerani, Enrico; Alessi, Dario; Mauceri, Matteo; Botter, Eleonora; Tonon, Giovanni; Caligiuri, Isabella; Repetto, Ombretta; Kamensek, Urska; Brezar, Simona Kranjc; Dalla Pozza, Maria; Palazzolo, Stefano; Cemazar, Maja; Canzonieri, Vincenzo; Demitri, Nicola; Nolan, Steven P.; Gasser, Gilles; Visentin, Fabiano; Rizzolio, Flavio","Unlocking the potential of organopalladium complexes for high-grade serous ovarian cancer therapy.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4685","4696","10.1039/d5dt00194c","","","0.62","Synchrotron","","0.0309","0.0303","","","0.0771","0.0775","","","","","","1.029","","","","has coordinates","300966","2025-07-06","17:04:21",""
"7718058","18.056","0.004","20.81","0.004","9.539","0.002","90","","90","","90","","3584.2","1.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H34 Cl4 O4 P2 Pd -","- C34 H34 Cl4 O4 P2 Pd -","- C136 H136 Cl16 O16 P8 Pd4 -","4","1","","Scattolin, Thomas; Cavarzerani, Enrico; Alessi, Dario; Mauceri, Matteo; Botter, Eleonora; Tonon, Giovanni; Caligiuri, Isabella; Repetto, Ombretta; Kamensek, Urska; Brezar, Simona Kranjc; Dalla Pozza, Maria; Palazzolo, Stefano; Cemazar, Maja; Canzonieri, Vincenzo; Demitri, Nicola; Nolan, Steven P.; Gasser, Gilles; Visentin, Fabiano; Rizzolio, Flavio","Unlocking the potential of organopalladium complexes for high-grade serous ovarian cancer therapy.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4685","4696","10.1039/d5dt00194c","","","0.62","Synchrotron","","0.0304","0.0298","","","0.0794","0.0802","","","","","","1.026","","","","has coordinates","300966","2025-07-06","17:04:31",""
"7718059","10.366","0.002","11.949","0.002","12.605","0.003","82.5","0.03","68.4","0.03","67.68","0.03","1342.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 Cl N2 O8 Pd -","- C27 H27 Cl N2 O8 Pd -","- C54 H54 Cl2 N4 O16 Pd2 -","2","1","","Scattolin, Thomas; Cavarzerani, Enrico; Alessi, Dario; Mauceri, Matteo; Botter, Eleonora; Tonon, Giovanni; Caligiuri, Isabella; Repetto, Ombretta; Kamensek, Urska; Brezar, Simona Kranjc; Dalla Pozza, Maria; Palazzolo, Stefano; Cemazar, Maja; Canzonieri, Vincenzo; Demitri, Nicola; Nolan, Steven P.; Gasser, Gilles; Visentin, Fabiano; Rizzolio, Flavio","Unlocking the potential of organopalladium complexes for high-grade serous ovarian cancer therapy.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4685","4696","10.1039/d5dt00194c","","","0.62","Synchrotron","","0.0326","0.032","","","0.0831","0.0834","","","","","","1.05","","","","has coordinates","300966","2025-07-06","17:04:31",""
"7718060","10.743","0.002","12.747","0.003","13.56","0.003","80.4","0.03","66.95","0.03","86.12","0.03","1684.7","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H39 Cl3 N6 O4 P2 Pd -","- C28 H39 Cl3 N6 O4 P2 Pd -","- C56 H78 Cl6 N12 O8 P4 Pd2 -","2","1","","Scattolin, Thomas; Cavarzerani, Enrico; Alessi, Dario; Mauceri, Matteo; Botter, Eleonora; Tonon, Giovanni; Caligiuri, Isabella; Repetto, Ombretta; Kamensek, Urska; Brezar, Simona Kranjc; Dalla Pozza, Maria; Palazzolo, Stefano; Cemazar, Maja; Canzonieri, Vincenzo; Demitri, Nicola; Nolan, Steven P.; Gasser, Gilles; Visentin, Fabiano; Rizzolio, Flavio","Unlocking the potential of organopalladium complexes for high-grade serous ovarian cancer therapy.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4685","4696","10.1039/d5dt00194c","","","0.62","Synchrotron","","0.0475","0.0417","","","0.1121","0.1156","","","","","","1.084","","","","has coordinates,has disorder","300966","2025-07-06","17:04:31",""
"7718061","8.605","0.002","8.866","0.002","17.383","0.003","76.16","0.03","83.51","0.03","77.13","0.03","1252.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Cl N2 O8 Pd -","- C25 H23 Cl N2 O8 Pd -","- C50 H46 Cl2 N4 O16 Pd2 -","2","1","","Scattolin, Thomas; Cavarzerani, Enrico; Alessi, Dario; Mauceri, Matteo; Botter, Eleonora; Tonon, Giovanni; Caligiuri, Isabella; Repetto, Ombretta; Kamensek, Urska; Brezar, Simona Kranjc; Dalla Pozza, Maria; Palazzolo, Stefano; Cemazar, Maja; Canzonieri, Vincenzo; Demitri, Nicola; Nolan, Steven P.; Gasser, Gilles; Visentin, Fabiano; Rizzolio, Flavio","Unlocking the potential of organopalladium complexes for high-grade serous ovarian cancer therapy.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4685","4696","10.1039/d5dt00194c","","","0.62","Synchrotron","","0.0326","0.0321","","","0.0848","0.0853","","","","","","1.065","","","","has coordinates","300966","2025-07-06","17:04:31",""
"7718062","22.155","0.003","12.3764","0.0017","30.424","0.004","90","","102.455","0.003","90","","8145.9","1.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 Cl2 Cu N14 O16 -","- C30 H30 Cl2 Cu N14 O16 -","- C240 H240 Cl16 Cu8 N112 O128 -","8","1","","Chen, Gui-Shan; Liu, Chang; Yang, Xing-Jin; Zhan, Zhi-Hao; Wang, Tian-Shun; Zhang, Hua-Xin","Effect of proton sources on the electrocatalytic hydrogen evolution reaction mediated by a copper complex of bistriazolylpyridine.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4761","4771","10.1039/d4dt02856b","","","0.71073","MoKα","","0.0737","0.0549","","","0.1707","0.1967","","","","","","0.915","","","","has coordinates","300979","2025-07-06","17:10:30",""
"7718063","7.0577","0.0002","10.2307","0.0003","11.595","0.0004","90","","90","","90","","837.22","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 N Ni O6 -","- C5 H11 N Ni O6 -","- C20 H44 N4 Ni4 O24 -","4","1","","de Campos, Élvio Antônio; Silva, Luana Thayline Casagrande; Rodrigues, Rodrigo Vieira; de Souza, Ronan Farias Freire; Dos Santos, Jeane Patrícia Cardozo; Olguin, Conceição de Fátima Alves; Buzanello, Cleide Viviane; Ellena, Javier Alcides; Santiago, Pedro Henrique de Oliveira; Denofre de Campos, Sílvia","A nickel glutamate metal biomolecule framework.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4645","4655","10.1039/d4dt03413a","","x-ray","0.71073","MoKα","","0.0201","0.019","","","0.0433","0.0438","","","","","","1.067","","","","has coordinates","300965","2025-07-06","17:04:04",""
"7718064","6.4412","0.0005","19.2341","0.0015","17.012","0.0012","90","","90","","90","","2107.6","0.3","296","","296","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- K4 Mo5 O22 P2 -","- K4 Mo5 O22 P2 -","- K16 Mo20 O88 P8 -","4","0.5","","Gao, Zhixia; Li, Ke; Du, Hong; Baiheti, Tuohetijiang","Four noncentrosymmetric molybdophosphates discovered by a chemical substitution strategy.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4025","4029","10.1039/d4dt03580a","","","0.71073","MoKα","","0.0284","0.0271","","","0.0626","0.0638","","","","","","1.074","","","","has coordinates","300757","2025-07-06","15:26:14",""
"7718065","6.5727","0.0011","19.456","0.002","17.865","0.003","90","","90","","90","","2284.5","0.6","296","2","296","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- Cs3 K Mo5 O22 P2 -","- Cs3 K Mo5 O22 P2 -","- Cs12 K4 Mo20 O88 P8 -","4","0.5","","Gao, Zhixia; Li, Ke; Du, Hong; Baiheti, Tuohetijiang","Four noncentrosymmetric molybdophosphates discovered by a chemical substitution strategy.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4025","4029","10.1039/d4dt03580a","","","0.71073","MoKα","","0.0669","0.0543","","","0.1105","0.125","","","","","","1.051","","","","has coordinates","300757","2025-07-06","15:26:14",""
"7718066","6.5267","0.0009","18.628","0.003","17.559","0.002","90","","90","","90","","2134.8","0.5","152","","152","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- Mo5 Na O22 P2 Rb3 -","- Mo5 Na O22 P2 Rb3 -","- Mo20 Na4 O88 P8 Rb12 -","4","0.5","","Gao, Zhixia; Li, Ke; Du, Hong; Baiheti, Tuohetijiang","Four noncentrosymmetric molybdophosphates discovered by a chemical substitution strategy.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4025","4029","10.1039/d4dt03580a","","","0.71073","MoKα","","0.0606","0.0427","","","0.0811","0.0873","","","","","","0.998","","","","has coordinates","300757","2025-07-06","15:26:14",""
"7718067","6.4888","0.0006","19.224","0.0014","17.3168","0.0017","90","","90","","90","","2160.1","0.3","173","","173","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- K2 Mo5 O22 P2 Rb2 -","- K2 Mo5 O22 P2 Rb2 -","- K8 Mo20 O88 P8 Rb8 -","4","0.5","","Gao, Zhixia; Li, Ke; Du, Hong; Baiheti, Tuohetijiang","Four noncentrosymmetric molybdophosphates discovered by a chemical substitution strategy.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4025","4029","10.1039/d4dt03580a","","","0.71073","MoKα","","0.0389","0.0339","","","0.0703","0.0736","","","","","","1.004","","","","has coordinates,has disorder","300757","2025-07-06","15:26:14",""
"7718068","13.0916","0.0001","13.0916","0.0001","46.0882","0.0005","90","","90","","120","","6840.78","0.1","100","0.1","100","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 N4 O6 Tm -","- C36 H21 Br12 N4 O6 Tm -","- C216 H126 Br72 N24 O36 Tm6 -","6","0.333333","","Bagio, Stanley; González, Jonay; Gable, Robert W.; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, spectroscopic and magnetic properties of <i>C</i><sub>3</sub>-symmetric rare earth complexes featuring atypical <i>ortho</i>-dioxolene binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5061","5074","10.1039/d4dt03474k","","x-ray","1.54184","CuKα","","0.04","0.0384","","","0.1041","0.1056","","","","","","1.151","","","","has coordinates","300981","2025-07-06","17:11:20",""
"7718069","13.1128","0.0001","13.1128","0.0001","46.3988","0.0007","90","","90","","120","","6909.21","0.13","100","0.11","100","0.11","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 N4 O6 Tb -","- C36 H21 Br12 N4 O6 Tb -","- C216 H126 Br72 N24 O36 Tb6 -","6","0.333333","","Bagio, Stanley; González, Jonay; Gable, Robert W.; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, spectroscopic and magnetic properties of <i>C</i><sub>3</sub>-symmetric rare earth complexes featuring atypical <i>ortho</i>-dioxolene binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5061","5074","10.1039/d4dt03474k","","x-ray","1.54184","CuKα","","0.0369","0.0365","","","0.1034","0.1037","","","","","","1.165","","","","has coordinates","300981","2025-07-06","17:11:20",""
"7718070","13.1174","0.0001","13.1174","0.0001","46.3156","0.0006","90","","90","","120","","6901.66","0.12","99.9","0.4","99.9","0.4","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 Dy N4 O6 -","- C36 H21 Br12 Dy N4 O6 -","- C216 H126 Br72 Dy6 N24 O36 -","6","0.333333","","Bagio, Stanley; González, Jonay; Gable, Robert W.; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, spectroscopic and magnetic properties of <i>C</i><sub>3</sub>-symmetric rare earth complexes featuring atypical <i>ortho</i>-dioxolene binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5061","5074","10.1039/d4dt03474k","","x-ray","1.54184","CuKα","","0.0272","0.0269","","","0.0719","0.0721","","","","","","1.183","","","","has coordinates","300981","2025-07-06","17:11:20",""
"7718071","13.1028","0.0001","13.1028","0.0001","45.996","0.0008","90","","90","","120","","6838.78","0.14","99.99","0.1","99.99","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 N4 O6 Yb -","- C36 H21 Br12 N4 O6 Yb -","- C216 H126 Br72 N24 O36 Yb6 -","6","0.333333","","Bagio, Stanley; González, Jonay; Gable, Robert W.; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, spectroscopic and magnetic properties of <i>C</i><sub>3</sub>-symmetric rare earth complexes featuring atypical <i>ortho</i>-dioxolene binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5061","5074","10.1039/d4dt03474k","","x-ray","1.54184","CuKα","","0.0265","0.0264","","","0.0764","0.0765","","","","","","1.193","","","","has coordinates","300981","2025-07-06","17:11:20",""
"7718072","13.1211","0.0001","13.1211","0.0001","46.2179","0.0006","90","","90","","120","","6890.99","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 Ho N4 O6 -","- C36 H21 Br12 Ho N4 O6 -","- C216 H126 Br72 Ho6 N24 O36 -","6","0.333333","","Bagio, Stanley; González, Jonay; Gable, Robert W.; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, spectroscopic and magnetic properties of <i>C</i><sub>3</sub>-symmetric rare earth complexes featuring atypical <i>ortho</i>-dioxolene binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5061","5074","10.1039/d4dt03474k","","x-ray","1.54184","CuKα","","0.0308","0.0306","","","0.0902","0.0903","","","","","","1.164","","","","has coordinates","300981","2025-07-06","17:11:20",""
"7718073","13.1472","0.0001","13.1472","0.0001","46.5427","0.0007","90","","90","","120","","6967.05","0.13","100","0.1","100","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 Eu N4 O6 -","- C36 H21 Br12 Eu N4 O6 -","- C216 H126 Br72 Eu6 N24 O36 -","6","0.333333","","Bagio, Stanley; González, Jonay; Gable, Robert W.; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, spectroscopic and magnetic properties of <i>C</i><sub>3</sub>-symmetric rare earth complexes featuring atypical <i>ortho</i>-dioxolene binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5061","5074","10.1039/d4dt03474k","","x-ray","1.54184","CuKα","","0.0242","0.0239","","","0.0658","0.066","","","","","","1.115","","","","has coordinates","300981","2025-07-06","17:11:20",""
"7718074","13.1753","0.0001","13.1753","0.0001","46.6188","0.0004","90","","90","","120","","7008.3","0.1","99.9","0.5","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 N4 O6 Sm -","- C36 H21 Br12 N4 O6 Sm -","- C216 H126 Br72 N24 O36 Sm6 -","6","0.333333","","Bagio, Stanley; González, Jonay; Gable, Robert W.; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, spectroscopic and magnetic properties of <i>C</i><sub>3</sub>-symmetric rare earth complexes featuring atypical <i>ortho</i>-dioxolene binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5061","5074","10.1039/d4dt03474k","","x-ray","1.54184","CuKα","","0.0293","0.0289","","","0.0801","0.0803","","","","","","1.124","","","","has coordinates","300981","2025-07-06","17:11:20",""
"7718075","13.1015","0.0002","13.1015","0.0002","46.1778","0.0005","90","","90","","120","","6864.45","0.17","99.9","0.4","99.9","0.4","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 Er N4 O6 -","- C36 H21 Br12 Er N4 O6 -","- C216 H126 Br72 Er6 N24 O36 -","6","0.333333","","Bagio, Stanley; González, Jonay; Gable, Robert W.; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, spectroscopic and magnetic properties of <i>C</i><sub>3</sub>-symmetric rare earth complexes featuring atypical <i>ortho</i>-dioxolene binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5061","5074","10.1039/d4dt03474k","","x-ray","1.54184","CuKα","","0.0474","0.0435","","","0.1138","0.1169","","","","","","1.125","","","","has coordinates","300981","2025-07-06","17:11:20",""
"7718076","13.1452","0.0001","13.1452","0.0001","46.4914","0.0007","90","","90","","120","","6957.25","0.13","100.01","0.1","100.01","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 Gd N4 O6 -","- C36 H21 Br12 Gd N4 O6 -","- C216 H126 Br72 Gd6 N24 O36 -","6","0.333333","","Bagio, Stanley; González, Jonay; Gable, Robert W.; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, spectroscopic and magnetic properties of <i>C</i><sub>3</sub>-symmetric rare earth complexes featuring atypical <i>ortho</i>-dioxolene binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5061","5074","10.1039/d4dt03474k","","x-ray","1.54184","CuKα","","0.0339","0.0336","","","0.0995","0.0998","","","","","","1.166","","","","has coordinates","300981","2025-07-06","17:11:20",""
"7718077","13.134","0.0002","13.134","0.0002","46.2582","0.0007","90","","90","","120","","6910.56","0.18","99.99","0.1","99.99","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 N4 O6 Y -","- C36 H21 Br12 N4 O6 Y -","- C216 H126 Br72 N24 O36 Y6 -","6","0.333333","","Bagio, Stanley; González, Jonay; Gable, Robert W.; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, spectroscopic and magnetic properties of <i>C</i><sub>3</sub>-symmetric rare earth complexes featuring atypical <i>ortho</i>-dioxolene binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5061","5074","10.1039/d4dt03474k","","x-ray","1.54184","CuKα","","0.0376","0.0361","","","0.0941","0.0951","","","","","","1.143","","","","has coordinates","300981","2025-07-06","17:11:20",""
"7718078","13.0951","0.0001","13.0951","0.0001","45.9594","0.0006","90","","90","","120","","6825.31","0.12","99.97","0.12","99.97","0.12","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 Lu N4 O6 -","- C36 H21 Br12 Lu N4 O6 -","- C216 H126 Br72 Lu6 N24 O36 -","6","0.333333","","Bagio, Stanley; González, Jonay; Gable, Robert W.; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, spectroscopic and magnetic properties of <i>C</i><sub>3</sub>-symmetric rare earth complexes featuring atypical <i>ortho</i>-dioxolene binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5061","5074","10.1039/d4dt03474k","","x-ray","1.54184","CuKα","","0.0323","0.0316","","","0.0924","0.0927","","","","","","1.176","","","","has coordinates","300981","2025-07-06","17:11:20",""
"7718079","6.07373","0.00008","10.22039","0.00016","30.8006","0.0004","90","","90","","90","","1911.97","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 N4 -","- C23 H26 N4 -","- C92 H104 N16 -","4","1","","Kaszuba, Adriana; Sitkowski, Jerzy; Muzioł, Tadeusz; Pokrzywka, Karolina; Kaźmierski, Łukasz; Maj, Małgorzata; Steppeler, Franz; Wojaczyńska, Elżbieta; Hoffmann, Marcin; Łakomska, Iwona","Unveiling the promising <i>in vitro</i> anticancer activity of lipophilic platinum(II) complexes containing (1<i>S</i>,4<i>R</i>,5<i>R</i>)-4-(4-phenyl-1<i>H</i>-1,2,3-triazol-1-yl)-2-((<i>S</i>)-1-phenylethyl)-2-azabicyclo[3.2.1]octane: a spectroscopic characterization and DFT calculation.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5334","5354","10.1039/d4dt03021d","","x-ray","1.54184","CuKα","","0.0336","0.0308","","","0.0747","0.0761","","","","","","1.019","","","","has coordinates","300889","2025-07-06","16:30:10",""
"7718080","6.3038","0.00019","18.8333","0.0007","21.6781","0.0006","90","","90","","90","","2573.65","0.14","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Cl2 N4 O Pt S -","- C25 H32 Cl2 N4 O Pt S -","- C100 H128 Cl8 N16 O4 Pt4 S4 -","4","1","","Kaszuba, Adriana; Sitkowski, Jerzy; Muzioł, Tadeusz; Pokrzywka, Karolina; Kaźmierski, Łukasz; Maj, Małgorzata; Steppeler, Franz; Wojaczyńska, Elżbieta; Hoffmann, Marcin; Łakomska, Iwona","Unveiling the promising <i>in vitro</i> anticancer activity of lipophilic platinum(II) complexes containing (1<i>S</i>,4<i>R</i>,5<i>R</i>)-4-(4-phenyl-1<i>H</i>-1,2,3-triazol-1-yl)-2-((<i>S</i>)-1-phenylethyl)-2-azabicyclo[3.2.1]octane: a spectroscopic characterization and DFT calculation.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5334","5354","10.1039/d4dt03021d","","x-ray","0.71073","MoKα","","0.0552","0.0468","","","0.1047","0.1075","","","","","","1.076","","","","has coordinates,has disorder","300889","2025-07-06","16:30:11",""
"7718081","13.8547","0.0007","10.7681","0.0006","24.9017","0.0014","90","","96.239","0.002","90","","3693.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dicyano-meso-tetraphenylporphyrinatocopper(II) complex","2,3-Dicyano-5,10,15,20-tetraphenylporphyrinatocopper(II)","","- C93 H53 Cl3 Cu2 N12 -","- C93 H53 Cl3 Cu2 N12 -","- C186 H106 Cl6 Cu4 N24 -","2","0.5","","Bhardwaj, Varusha; Sankar, Muniappan","Synthesis, spectral and electrochemical studies of electron-deficient nitrile porphyrins and their utilization in selective cyanide sensing.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5406","5418","10.1039/d4dt03528c","","","0.71073","MoKα","","0.0617","0.0437","","","0.1167","0.1344","","","","","","1.088","","","","has coordinates,has disorder","300882","2025-07-06","16:27:27",""
"7718082","28.4661","0.0017","9.836","0.0006","28.4015","0.0016","90","","92.869","0.002","90","","7942.2","0.8","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H57 Cl3 Co2 N4 O6 -","- C31 H57 Cl3 Co2 N4 O6 -","- C248 H456 Cl24 Co16 N32 O48 -","8","1","","Seuffert, Marcel T.; Sedykh, Alexander E.; Schäfer, Thomas C; Becker, Jonathan; Müller-Buschbaum, Klaus","Homoleptic coordination polymers and complexes of transition metals with 2-(1,2,4-1<i>H</i>-triazol-3-yl) pyridine and tuning towards white-light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5075","5090","10.1039/d4dt03149k","","","0.71073","MoKα","","0.119","0.0925","","","0.2229","0.2401","","","","","","1.06","","","","has coordinates,has disorder","300990","2025-07-06","17:14:42",""
"7718083","6.4659","0.0007","7.9252","0.0009","9.0673","0.001","80.982","0.004","71.419","0.004","65.979","0.004","402.08","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl2 N8 Zn -","- C14 H12 Cl2 N8 Zn -","- C14 H12 Cl2 N8 Zn -","1","0.5","","Seuffert, Marcel T.; Sedykh, Alexander E.; Schäfer, Thomas C; Becker, Jonathan; Müller-Buschbaum, Klaus","Homoleptic coordination polymers and complexes of transition metals with 2-(1,2,4-1<i>H</i>-triazol-3-yl) pyridine and tuning towards white-light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5075","5090","10.1039/d4dt03149k","","","0.71073","MoKα","","0.0307","0.0245","","","0.0593","0.0621","","","","","","1.09","","","","has coordinates","300990","2025-07-06","17:14:42",""
"7718084","6.454","0.003","7.869","0.003","9.084","0.004","81.031","0.017","71.617","0.013","66.102","0.011","400.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl2 Co N8 -","- C14 H12 Cl2 Co N8 -","- C14 H12 Cl2 Co N8 -","1","0.5","","Seuffert, Marcel T.; Sedykh, Alexander E.; Schäfer, Thomas C; Becker, Jonathan; Müller-Buschbaum, Klaus","Homoleptic coordination polymers and complexes of transition metals with 2-(1,2,4-1<i>H</i>-triazol-3-yl) pyridine and tuning towards white-light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5075","5090","10.1039/d4dt03149k","","","0.71073","MoKα","","0.0287","0.0234","","","0.055","0.0577","","","","","","1.063","","","","has coordinates","300990","2025-07-06","17:14:42",""
"7718085","6.632","0.004","8.066","0.006","9.104","0.006","80.71","0.019","69.673","0.016","66.017","0.017","417.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Br2 Co N8 -","- C14 H12 Br2 Co N8 -","- C14 H12 Br2 Co N8 -","1","0.5","","Seuffert, Marcel T.; Sedykh, Alexander E.; Schäfer, Thomas C; Becker, Jonathan; Müller-Buschbaum, Klaus","Homoleptic coordination polymers and complexes of transition metals with 2-(1,2,4-1<i>H</i>-triazol-3-yl) pyridine and tuning towards white-light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5075","5090","10.1039/d4dt03149k","","","0.71073","MoKα","","0.0454","0.0292","","","0.0544","0.0589","","","","","","1.018","","","","has coordinates","300990","2025-07-06","17:14:42",""
"7718086","13.1847","0.0011","7.1813","0.0006","19.2476","0.0015","90","","90","","90","","1822.4","0.3","200","2","200","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C7 H5 Br Co N4 -","- C7 H5 Br Co N4 -","- C56 H40 Br8 Co8 N32 -","8","1","","Seuffert, Marcel T.; Sedykh, Alexander E.; Schäfer, Thomas C; Becker, Jonathan; Müller-Buschbaum, Klaus","Homoleptic coordination polymers and complexes of transition metals with 2-(1,2,4-1<i>H</i>-triazol-3-yl) pyridine and tuning towards white-light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5075","5090","10.1039/d4dt03149k","","","0.71073","MoKα","","0.1356","0.0904","","","0.1586","0.1832","","","","","","1.23","","","","has coordinates","300990","2025-07-06","17:14:42",""
"7718087","8.9158","0.0008","9.662","0.0008","12.103","0.0011","74.277","0.003","69.785","0.003","62.978","0.003","863.43","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cl2 Fe2 N12 -","- C34 H30 Cl2 Fe2 N12 -","- C34 H30 Cl2 Fe2 N12 -","1","0.5","","Seuffert, Marcel T.; Sedykh, Alexander E.; Schäfer, Thomas C; Becker, Jonathan; Müller-Buschbaum, Klaus","Homoleptic coordination polymers and complexes of transition metals with 2-(1,2,4-1<i>H</i>-triazol-3-yl) pyridine and tuning towards white-light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5075","5090","10.1039/d4dt03149k","","","0.71073","MoKα","","0.051","0.0368","","","0.0789","0.0844","","","","","","1.064","","","","has coordinates","300990","2025-07-06","17:14:42",""
"7718088","6.4509","0.0002","7.9128","0.0003","9.1397","0.0003","80.775","0.002","71.58","0.001","66.411","0.001","405.34","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl2 Fe N8 -","- C14 H12 Cl2 Fe N8 -","- C14 H12 Cl2 Fe N8 -","1","0.5","","Seuffert, Marcel T.; Sedykh, Alexander E.; Schäfer, Thomas C; Becker, Jonathan; Müller-Buschbaum, Klaus","Homoleptic coordination polymers and complexes of transition metals with 2-(1,2,4-1<i>H</i>-triazol-3-yl) pyridine and tuning towards white-light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5075","5090","10.1039/d4dt03149k","","","0.71073","MoKα","","0.0254","0.0238","","","0.062","0.0632","","","","","","1.042","","","","has coordinates","300990","2025-07-06","17:14:42",""
"7718089","12.4519","0.0004","22.242","0.0008","23.5463","0.0008","90","","90","","90","","6521.3","0.4","100","2","100","2","","","","","","","","4","I b c a","-I 2b 2c","73","","","","- C33 H25 Cu2 N17 -","- C33 H25 Cu2 N17 -","- C264 H200 Cu16 N136 -","8","0.5","","Seuffert, Marcel T.; Sedykh, Alexander E.; Schäfer, Thomas C; Becker, Jonathan; Müller-Buschbaum, Klaus","Homoleptic coordination polymers and complexes of transition metals with 2-(1,2,4-1<i>H</i>-triazol-3-yl) pyridine and tuning towards white-light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5075","5090","10.1039/d4dt03149k","","","0.71073","MoKα","","0.0834","0.0589","","","0.1444","0.1547","","","","","","1.118","","","","has coordinates,has disorder","300990","2025-07-06","17:14:42",""
"7718090","8.8782","0.0008","9.6738","0.0009","12.1392","0.0011","74.666","0.003","70.793","0.003","63.437","0.003","872.09","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Br2 Fe2 N12 -","- C34 H30 Br2 Fe2 N12 -","- C34 H30 Br2 Fe2 N12 -","1","0.5","","Seuffert, Marcel T.; Sedykh, Alexander E.; Schäfer, Thomas C; Becker, Jonathan; Müller-Buschbaum, Klaus","Homoleptic coordination polymers and complexes of transition metals with 2-(1,2,4-1<i>H</i>-triazol-3-yl) pyridine and tuning towards white-light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5075","5090","10.1039/d4dt03149k","","","0.71073","MoKα","","0.049","0.0388","","","0.0762","0.0793","","","","","","1.111","","","","has coordinates","300990","2025-07-06","17:14:42",""
"7718091","3.7057","0.0001","24.0134","0.0008","9.9578","0.0004","90","","96.097","0.002","90","","881.1","0.05","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H5 Cl Cu2 N4 -","- C7 H5 Cl Cu2 N4 -","- C28 H20 Cl4 Cu8 N16 -","4","1","","Seuffert, Marcel T.; Sedykh, Alexander E.; Schäfer, Thomas C; Becker, Jonathan; Müller-Buschbaum, Klaus","Homoleptic coordination polymers and complexes of transition metals with 2-(1,2,4-1<i>H</i>-triazol-3-yl) pyridine and tuning towards white-light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5075","5090","10.1039/d4dt03149k","","","0.71073","MoKα","","0.0406","0.0301","","","0.0462","0.0481","","","","","","1.03","","","","has coordinates","300990","2025-07-06","17:14:42",""
"7718092","22.6881","0.0006","22.6881","0.0006","12.7247","0.0006","90","","90","","90","","6550","0.4","100","2","100","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C15.25 H10.88 N8.25 O0.31 Zn -","- C14 H10 N8 Zn -","- C224 H160 N128 Zn16 -","16","0.5","","Seuffert, Marcel T.; Sedykh, Alexander E.; Schäfer, Thomas C; Becker, Jonathan; Müller-Buschbaum, Klaus","Homoleptic coordination polymers and complexes of transition metals with 2-(1,2,4-1<i>H</i>-triazol-3-yl) pyridine and tuning towards white-light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5075","5090","10.1039/d4dt03149k","","","0.71073","MoKα","","0.0421","0.0311","","","0.0707","0.075","","","","","","1.066","","","","has coordinates,has disorder","300990","2025-07-06","17:14:42",""
"7718093","6.433","0.003","8.022","0.004","9.16","0.004","85.077","0.01","71.505","0.012","66.404","0.013","410.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl2 Mn N8 -","- C14 H12 Cl2 Mn N8 -","- C14 H12 Cl2 Mn N8 -","1","0.5","","Seuffert, Marcel T.; Sedykh, Alexander E.; Schäfer, Thomas C; Becker, Jonathan; Müller-Buschbaum, Klaus","Homoleptic coordination polymers and complexes of transition metals with 2-(1,2,4-1<i>H</i>-triazol-3-yl) pyridine and tuning towards white-light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5075","5090","10.1039/d4dt03149k","","","0.71073","MoKα","","0.0318","0.0252","","","0.0613","0.064","","","","","","1.053","","","","has coordinates","300990","2025-07-06","17:14:42",""
"7718094","28.4498","0.0015","28.4498","0.0015","10.5552","0.0009","90","","90","","120","","7398.7","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C37 H33 Cl Mn N10 -","- C12 H8 Cl Mn N5 -","- C216 H144 Cl18 Mn18 N90 -","18","1","","Seuffert, Marcel T.; Sedykh, Alexander E.; Schäfer, Thomas C; Becker, Jonathan; Müller-Buschbaum, Klaus","Homoleptic coordination polymers and complexes of transition metals with 2-(1,2,4-1<i>H</i>-triazol-3-yl) pyridine and tuning towards white-light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5075","5090","10.1039/d4dt03149k","","","0.71073","MoKα","","0.1061","0.0706","","","0.1221","0.1364","","","","","","1.127","","","","has coordinates","300990","2025-07-06","17:14:42",""
"7718095","17.0121","0.0015","9.9553","0.0009","17.1639","0.0015","90","","99.871","0.003","90","","2863.9","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N16 Zr -","- C28 H20 N16 Zr -","- C112 H80 N64 Zr4 -","4","0.5","","Seuffert, Marcel T.; Sedykh, Alexander E.; Schäfer, Thomas C; Becker, Jonathan; Müller-Buschbaum, Klaus","Homoleptic coordination polymers and complexes of transition metals with 2-(1,2,4-1<i>H</i>-triazol-3-yl) pyridine and tuning towards white-light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5075","5090","10.1039/d4dt03149k","","","0.71073","MoKα","","0.0531","0.0437","","","0.1042","0.1117","","","","","","1.085","","","","has coordinates","300990","2025-07-06","17:14:42",""
"7718096","16.5502","0.0014","11.7796","0.001","19.403","0.002","90","","114.049","0.003","90","","3454.4","0.6","149.99","","149.99","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C1.71 H3.6 Li0.17 N0.34 -","- C1.71429 H3.6 Li0.171429 N0.342857 -","- C120 H252 Li12 N24 -","70","8.75","","Pugliese, Eva; Coutancier, Damien; Pavard, Paul-Alexis; Hervochon, Julien; van der Linden, Bram; Casaretto, Nicolas; Bourcier, Sophie; Pourtois, Geoffrey; Bouttemy, Muriel; Auffrant, Audrey; Schneider, Nathanaelle","Unveiling surface reactivity: the crucial role of auxiliary ligands in gallium amidinate-based precursors for atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5182","5191","10.1039/d4dt03498h","","","0.71073","MoKα","","0.0804","0.0528","","","0.1318","0.1503","","","","","","1.031","","","","has coordinates,has disorder","300995","2025-07-06","17:17:23",""
"7718097","8.1083","0.001","11.6422","0.0013","15.681","0.0018","90","","96.471","0.004","90","","1470.8","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H21 Cl2 Ga N2 -","- C10 H21 Cl2 Ga N2 -","- C40 H84 Cl8 Ga4 N8 -","4","1","","Pugliese, Eva; Coutancier, Damien; Pavard, Paul-Alexis; Hervochon, Julien; van der Linden, Bram; Casaretto, Nicolas; Bourcier, Sophie; Pourtois, Geoffrey; Bouttemy, Muriel; Auffrant, Audrey; Schneider, Nathanaelle","Unveiling surface reactivity: the crucial role of auxiliary ligands in gallium amidinate-based precursors for atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5182","5191","10.1039/d4dt03498h","","","0.71073","MoKα","","0.0577","0.0349","","","0.0731","0.084","","","","","","1.016","","","","has coordinates","300995","2025-07-06","17:17:24",""
"7718098","15.403","0.0005","11.8625","0.0004","24.8301","0.0008","90","","105.532","0.0011","90","","4371.2","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cu2 F8 N10 O6 S2 -","- C32 H20 Cu2 F8 N10 O4 S2 -","- C128 H80 Cu8 F32 N40 O16 S8 -","4","0.5","","Sévery, Laurent; Alexander Wheeler, T.; Nicolay, Amelie; Teat, Simon J.; Don Tilley, T.","Dicopper(I) complexes of a binucleating, dianionic, naphthyridine bis(amide) ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8224","8233","10.1039/d5dt00034c","","","0.7288","synchrotron","","0.0465","0.0348","","","0.0868","0.093","","","","","","1.034","","","","has coordinates,has disorder","300871","2025-07-06","16:23:43",""
"7718099","14.6398","0.0012","20.0226","0.0018","21.2387","0.0019","62.392","0.004","86.684","0.004","86.526","0.004","5503.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H158 Cu4 N16 O5 -","- C104 H158 Cu4 N16 O5 -","- C208 H316 Cu8 N32 O10 -","2","1","","Sévery, Laurent; Alexander Wheeler, T.; Nicolay, Amelie; Teat, Simon J.; Don Tilley, T.","Dicopper(I) complexes of a binucleating, dianionic, naphthyridine bis(amide) ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8224","8233","10.1039/d5dt00034c","","","0.7288","synchrotron","","0.1034","0.0795","","","0.209","0.2291","","","","","","1.03","","","","has coordinates,has disorder","300871","2025-07-06","16:23:45",""
"7718100","15.7286","0.0002","17.0404","0.0002","21.5628","0.0006","86.084","0.002","76.81","0.002","89.982","0.001","5613","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C116.4 H139.4 Cu4 N12 O6.5 -","- C116.4 H139.4 Cu4 N12 O6.5 -","- C232.8 H278.8 Cu8 N24 O13 -","2","1","","Sévery, Laurent; Alexander Wheeler, T.; Nicolay, Amelie; Teat, Simon J.; Don Tilley, T.","Dicopper(I) complexes of a binucleating, dianionic, naphthyridine bis(amide) ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8224","8233","10.1039/d5dt00034c","","","1.54184","CuKα","","0.0879","0.0789","","","0.2409","0.2499","","","","","","1.043","","","","has coordinates,has disorder","300871","2025-07-06","16:23:45",""
"7718101","16.8395","0.0012","28.68","0.002","20.3614","0.0014","90","","90.644","0.003","90","","9833.1","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H74 Cl Cu2 N5 O2 -","- C50 H74 Cl Cu2 N5 O2 -","- C400 H592 Cl8 Cu16 N40 O16 -","8","2","","Sévery, Laurent; Alexander Wheeler, T.; Nicolay, Amelie; Teat, Simon J.; Don Tilley, T.","Dicopper(I) complexes of a binucleating, dianionic, naphthyridine bis(amide) ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8224","8233","10.1039/d5dt00034c","","","0.7288","synchrotron","","0.0856","0.0642","","","0.1706","0.1901","","","","","","1.087","","","","has coordinates,has disorder","300871","2025-07-06","16:23:45",""
"7718102","17.1152","0.001","8.7658","0.0005","22.3304","0.0014","90","","102.552","0.002","90","","3270.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C4.51 H5.43 Cl0.1 F1.23 N0.77 O0.41 Os0.15 P0.21 -","- C4.51231 H5.42646 Cl0.102308 F1.23231 N0.769231 O0.41 Os0.153846 P0.205385 -","- C117.32 H141.088 Cl2.66 F32.04 N20 O10.66 Os4 P5.34 -","26","6.5","","Sun, Jiangtian; Sun, Jingwen; Jolly, Brandon J.; Riu, Martin-Louis Y.; Kerr, Tyler A.; Lai, Yi-An; Pung, Michael J.; Liu, Chong; Nava, Matthew","Synthesis of [Os(bpy)2(py)(OH2)](PF6)x substituted pyridine complexes; characterization of a singly bridged H3O2− ligand","Dalton Transactions","2025","54","12","5109","5118","10.1039/D5DT00419E","","x-ray","0.71073","MoKα","","0.0549","0.0334","","","0.0562","0.0628","","","","","","1.08","","","","has coordinates,has disorder","300980","2025-07-06","17:10:42",""
"7718103","12.0421","0.0005","13.5806","0.0006","14.2226","0.0006","62.14","0.001","83.454","0.002","69.784","0.001","1926.51","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62.4 H77.8 F30 N12 O4 Os2 P5 -","- C62.4 H77.8 F30 N12 O4 Os2 P5 -","- C62.4 H77.8 F30 N12 O4 Os2 P5 -","1","0.5","","Sun, Jiangtian; Sun, Jingwen; Jolly, Brandon J.; Riu, Martin-Louis Y.; Kerr, Tyler A.; Lai, Yi-An; Pung, Michael J.; Liu, Chong; Nava, Matthew","Synthesis of [Os(bpy)2(py)(OH2)](PF6)x substituted pyridine complexes; characterization of a singly bridged H3O2− ligand","Dalton Transactions","2025","54","12","5109","5118","10.1039/D5DT00419E","","x-ray","0.71073","MoKα","","0.0502","0.0358","","","0.0762","0.0828","","","","","","1.052","","","","has coordinates,has disorder","300980","2025-07-06","17:10:51",""
"7718104","9.6956","0.00014","11.01772","0.00016","12.69262","0.00016","68.3323","0.0013","85.0689","0.0011","81.4341","0.0012","1245.3","0.03","100","0.3","100","0.3","","","","","","","","8","P -1","-P 1","2","","","","- C25 H26 Cl N2 O2 P Pt S -","- C25 H26 Cl N2 O2 P Pt S -","- C50 H52 Cl2 N4 O4 P2 Pt2 S2 -","2","1","","Risi, Matthew C.; Atiga, Simeon; Christopher, Timothy D.; Henderson, William; Saunders, Graham C.","Diacylthioureas - an overlooked class of ligands; the coordination chemistry of diacylated thiourea with platinum(II), palladium(II) and gold(III).","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4977","4989","10.1039/d4dt03390f","","x-ray","1.54184","CuKα","","0.0188","0.0178","","","0.0429","0.0432","","","","","","1.0494","","","","has coordinates","300992","2025-07-06","17:16:36",""
"7718105","5.174","0.0001","9.3578","0.0002","19.034","0.0004","90","","90","","90","","921.57","0.03","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H12 N2 O2 S -","- C7 H12 N2 O2 S -","- C28 H48 N8 O8 S4 -","4","1","","Risi, Matthew C.; Atiga, Simeon; Christopher, Timothy D.; Henderson, William; Saunders, Graham C.","Diacylthioureas - an overlooked class of ligands; the coordination chemistry of diacylated thiourea with platinum(II), palladium(II) and gold(III).","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4977","4989","10.1039/d4dt03390f","","x-ray","1.54184","CuKα","","0.0318","0.029","","","0.0774","0.0788","","","","","","1.0297","","","","has coordinates","300992","2025-07-06","17:16:37",""
"7718106","9.70784","0.00019","10.9768","0.0003","12.7313","0.0003","68.297","0.002","85.0358","0.0017","81.1443","0.0018","1244.82","0.05","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C25 H26 Cl N2 O2 P Pd S -","- C25 H26 Cl N2 O2 P Pd S -","- C50 H52 Cl2 N4 O4 P2 Pd2 S2 -","2","1","","Risi, Matthew C.; Atiga, Simeon; Christopher, Timothy D.; Henderson, William; Saunders, Graham C.","Diacylthioureas - an overlooked class of ligands; the coordination chemistry of diacylated thiourea with platinum(II), palladium(II) and gold(III).","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4977","4989","10.1039/d4dt03390f","","x-ray","1.54184","CuKα","","0.0357","0.0335","","","0.0908","0.0922","","","","","","1.0281","","","","has coordinates","300992","2025-07-06","17:16:37",""
"7718107","12.94247","0.00016","19.2338","0.0002","7.50278","0.00009","90","","104.552","0.0012","90","","1807.78","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Au N4 O2 S -","- C18 H19 Au N4 O2 S -","- C72 H76 Au4 N16 O8 S4 -","4","1","","Risi, Matthew C.; Atiga, Simeon; Christopher, Timothy D.; Henderson, William; Saunders, Graham C.","Diacylthioureas - an overlooked class of ligands; the coordination chemistry of diacylated thiourea with platinum(II), palladium(II) and gold(III).","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4977","4989","10.1039/d4dt03390f","","x-ray","1.54184","CuKα","","0.0344","0.0304","","","0.079","0.0846","","","","","","1.0634","","","","has coordinates","300992","2025-07-06","17:16:37",""
"7718108","14.787","0.0002","11.8855","0.0001","20.6357","0.0002","90","","94.921","0.001","90","","3613.37","0.07","100","0.2","100","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 N2 O2 P2 Pt S -","- C41 H36 N2 O2 P2 Pt S -","- C164 H144 N8 O8 P8 Pt4 S4 -","4","1","","Risi, Matthew C.; Atiga, Simeon; Christopher, Timothy D.; Henderson, William; Saunders, Graham C.","Diacylthioureas - an overlooked class of ligands; the coordination chemistry of diacylated thiourea with platinum(II), palladium(II) and gold(III).","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4977","4989","10.1039/d4dt03390f","","x-ray","1.54184","CuKα","","0.0352","0.0316","","","0.0752","0.0771","","","","","","1.0389","","","","has coordinates","300992","2025-07-06","17:16:37",""
"7718109","12.8178","0.0001","21.7252","0.0002","14.8187","0.0001","90","","103.094","0.001","90","","4019.26","0.06","100","0.3","100","0.2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 N2 O2 P2 Pt S -","- C44 H42 Cl2 N2 O2 P2 Pt S -","- C176 H168 Cl8 N8 O8 P8 Pt4 S4 -","4","1","","Risi, Matthew C.; Atiga, Simeon; Christopher, Timothy D.; Henderson, William; Saunders, Graham C.","Diacylthioureas - an overlooked class of ligands; the coordination chemistry of diacylated thiourea with platinum(II), palladium(II) and gold(III).","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4977","4989","10.1039/d4dt03390f","","","1.54184","CuKα","","0.0209","0.0191","","","0.0428","0.0434","","","","","","1.0241","","","","has coordinates","300992","2025-07-06","17:16:37",""
"7718110","8.0793","0.0004","17.1808","0.0007","8.5107","0.0004","90","","99.223","0.005","90","","1166.09","0.09","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 La N6 O9 -","- C6 H9 La N6 O9 -","- C24 H36 La4 N24 O36 -","4","1","","Schneiderhan, Philipp; Bayat, Elaheh; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, H-Jürgen","La<sub>2</sub>(CN<sub>2</sub>)<sub>3</sub> - the missing link of rare-earth carbodiimides, prepared through an efficient synthetic route and its Ce<sup>3+</sup> activated photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4909","4917","10.1039/d5dt00060b","","x-ray","1.54184","CuKα","","0.0175","0.0162","","","0.0385","0.0389","","","","","","1.04","","","","has coordinates","300983","2025-07-06","17:12:27",""
"7718111","8.69003","0.00006","6.88968","0.00005","10.30517","0.00009","90","","105.071","0.0006","90","","595.764","0.008","298","","298","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C3 La2 N6 -","- C3 La2 N6 -","- C12 La8 N24 -","4","0.5","","Schneiderhan, Philipp; Bayat, Elaheh; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, H-Jürgen","La<sub>2</sub>(CN<sub>2</sub>)<sub>3</sub> - the missing link of rare-earth carbodiimides, prepared through an efficient synthetic route and its Ce<sup>3+</sup> activated photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4909","4917","10.1039/d5dt00060b","powder diffraction","","1.5406","CuKalpha1","","","","","","","","","2.0444","1.0121","","","","","","","has coordinates","300983","2025-07-06","17:12:28",""
"7718112","6.3215","0.0003","11.0993","0.0006","11.8544","0.0005","66.312","0.005","88.178","0.003","75.768","0.004","736.19","0.07","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H15 La N6 O12 -","- C6 H15 La N6 O12 -","- C12 H30 La2 N12 O24 -","2","1","","Schneiderhan, Philipp; Bayat, Elaheh; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, H-Jürgen","La<sub>2</sub>(CN<sub>2</sub>)<sub>3</sub> - the missing link of rare-earth carbodiimides, prepared through an efficient synthetic route and its Ce<sup>3+</sup> activated photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4909","4917","10.1039/d5dt00060b","","x-ray","1.54184","CuKα","","0.036","0.0333","","","0.0837","0.0854","","","","","","1.076","","","","has coordinates","300983","2025-07-06","17:12:28",""
"7718113","13.8453","0.0005","19.8533","0.0009","17.3265","0.0006","90","","98.583","0.004","90","","4709.3","0.3","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H53 Lu N8 O11 -","- C44 H53 Lu N8 O11 -","- C176 H212 Lu4 N32 O44 -","4","1","","Avagyan, Nane A.; Zonov, Roman V.; Lemport, Pavel S.; Evsiunina, Mariia V.; Matveev, Petr I.; Roznyatovsky, Vitaly A.; Averin, Alexei D.; Kalle, Paulina; Tafeenko, Victor A.; Soloveva, Svetlana A.; Nelyubina, Yulia V.; Petrov, Vladimir G.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Steric hindrance of phenanthroline diamides enables a hundredfold increase in Am(III) extraction efficiency.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5425","5437","10.1039/d5dt00076a","","","1.54186","CuKα","","0.1659","0.0483","","","0.0833","0.1169","","","","","","0.699","","","","has coordinates","300883","2025-07-06","16:28:04",""
"7718114","8.974","0.002","14.552","0.004","24.46","0.006","94.213","0.008","92.42","0.008","95.485","0.008","3167.1","1.4","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 N4 O2 -","- C38 H42 N4 O2 -","- C152 H168 N16 O8 -","4","2","","Avagyan, Nane A.; Zonov, Roman V.; Lemport, Pavel S.; Evsiunina, Mariia V.; Matveev, Petr I.; Roznyatovsky, Vitaly A.; Averin, Alexei D.; Kalle, Paulina; Tafeenko, Victor A.; Soloveva, Svetlana A.; Nelyubina, Yulia V.; Petrov, Vladimir G.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Steric hindrance of phenanthroline diamides enables a hundredfold increase in Am(III) extraction efficiency.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5425","5437","10.1039/d5dt00076a","","","0.71073","MoKα","","0.1698","0.094","","","0.2439","0.2956","","","","","","1.016","","","","has coordinates","300883","2025-07-06","16:28:05",""
"7718115","16.7236","0.001","11.2923","0.0006","25.2063","0.0014","90","","102.531","0.002","90","","4646.8","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H47 Cl3 Eu N7 O11 -","- C42.5 H47 Cl3 Eu N7 O11 -","- C170 H188 Cl12 Eu4 N28 O44 -","4","1","","Avagyan, Nane A.; Zonov, Roman V.; Lemport, Pavel S.; Evsiunina, Mariia V.; Matveev, Petr I.; Roznyatovsky, Vitaly A.; Averin, Alexei D.; Kalle, Paulina; Tafeenko, Victor A.; Soloveva, Svetlana A.; Nelyubina, Yulia V.; Petrov, Vladimir G.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Steric hindrance of phenanthroline diamides enables a hundredfold increase in Am(III) extraction efficiency.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5425","5437","10.1039/d5dt00076a","","","0.71073","MoKα","","0.0609","0.0413","","","0.0773","0.0879","","","","","","1.046","","","","has coordinates,has disorder","300883","2025-07-06","16:28:05",""
"7718116","11.5336","0.0007","11.8801","0.0007","16.3612","0.001","91.283","0.002","94.503","0.002","95.966","0.002","2221.7","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 N9 Nd O11 -","- C42 H48 N9 Nd O11 -","- C84 H96 N18 Nd2 O22 -","2","1","","Avagyan, Nane A.; Zonov, Roman V.; Lemport, Pavel S.; Evsiunina, Mariia V.; Matveev, Petr I.; Roznyatovsky, Vitaly A.; Averin, Alexei D.; Kalle, Paulina; Tafeenko, Victor A.; Soloveva, Svetlana A.; Nelyubina, Yulia V.; Petrov, Vladimir G.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Steric hindrance of phenanthroline diamides enables a hundredfold increase in Am(III) extraction efficiency.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5425","5437","10.1039/d5dt00076a","","","0.71073","MoKα","","0.0603","0.0469","","","0.0745","0.0773","","","","","","1.129","","","","has coordinates","300883","2025-07-06","16:28:05",""
"7718117","14.8268","0.0003","14.1752","0.0003","27.6844","0.0014","90","","96.316","0.003","90","","5783.2","0.3","295","2","295","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C34 H34 N4 O2 -","- C34 H34 N4 O2 -","- C272 H272 N32 O16 -","8","1","","Avagyan, Nane A.; Zonov, Roman V.; Lemport, Pavel S.; Evsiunina, Mariia V.; Matveev, Petr I.; Roznyatovsky, Vitaly A.; Averin, Alexei D.; Kalle, Paulina; Tafeenko, Victor A.; Soloveva, Svetlana A.; Nelyubina, Yulia V.; Petrov, Vladimir G.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Steric hindrance of phenanthroline diamides enables a hundredfold increase in Am(III) extraction efficiency.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5425","5437","10.1039/d5dt00076a","","","1.54186","CuKα","","0.1028","0.0448","","","0.1087","0.1256","","","","","","0.813","","","","has coordinates","300883","2025-07-06","16:28:05",""
"7718118","13.2958","0.0007","16.6797","0.001","17.8009","0.0009","90","","98.562","0.002","90","","3903.7","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34.9 H34.9 Cl2.7 Eu N7 O11 -","- C34.9 H34.9 Cl2.7 Eu N7 O11 -","- C139.6 H139.6 Cl10.8 Eu4 N28 O44 -","4","1","","Avagyan, Nane A.; Zonov, Roman V.; Lemport, Pavel S.; Evsiunina, Mariia V.; Matveev, Petr I.; Roznyatovsky, Vitaly A.; Averin, Alexei D.; Kalle, Paulina; Tafeenko, Victor A.; Soloveva, Svetlana A.; Nelyubina, Yulia V.; Petrov, Vladimir G.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Steric hindrance of phenanthroline diamides enables a hundredfold increase in Am(III) extraction efficiency.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5425","5437","10.1039/d5dt00076a","","","0.71073","MoKα","","0.0544","0.037","","","0.0759","0.0862","","","","","","1.044","","","","has coordinates,has disorder","300883","2025-07-06","16:28:05",""
"7718119","13.642","0.0009","16.8587","0.001","17.9926","0.0013","90","","97.498","0.003","90","","4102.7","0.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H42 N7 Nd O11 -","- C41 H42 N7 Nd O11 -","- C164 H168 N28 Nd4 O44 -","4","1","","Avagyan, Nane A.; Zonov, Roman V.; Lemport, Pavel S.; Evsiunina, Mariia V.; Matveev, Petr I.; Roznyatovsky, Vitaly A.; Averin, Alexei D.; Kalle, Paulina; Tafeenko, Victor A.; Soloveva, Svetlana A.; Nelyubina, Yulia V.; Petrov, Vladimir G.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Steric hindrance of phenanthroline diamides enables a hundredfold increase in Am(III) extraction efficiency.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5425","5437","10.1039/d5dt00076a","","","0.71073","MoKα","","0.0495","0.0338","","","0.0597","0.0673","","","","","","1.035","","","","has coordinates,has disorder","300883","2025-07-06","16:28:05",""
"7718120","13.5781","0.0007","20.0588","0.0013","17.137","0.0009","90","","97.189","0.002","90","","4630.7","0.5","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H53 Eu N8 O11 -","- C44 H53 Eu N8 O11 -","- C176 H212 Eu4 N32 O44 -","4","1","","Avagyan, Nane A.; Zonov, Roman V.; Lemport, Pavel S.; Evsiunina, Mariia V.; Matveev, Petr I.; Roznyatovsky, Vitaly A.; Averin, Alexei D.; Kalle, Paulina; Tafeenko, Victor A.; Soloveva, Svetlana A.; Nelyubina, Yulia V.; Petrov, Vladimir G.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Steric hindrance of phenanthroline diamides enables a hundredfold increase in Am(III) extraction efficiency.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5425","5437","10.1039/d5dt00076a","","","0.71073","MoKα","","0.0507","0.0354","","","0.0601","0.0663","","","","","","1.054","","","","has coordinates,has disorder","300883","2025-07-06","16:28:05",""
"7718121","9.5233","0.0006","12.0193","0.0008","14.3481","0.001","113.875","0.002","100.693","0.003","90.64","0.002","1468.9","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H44 N2 O Si2 Sn -","- C27 H44 N2 O Si2 Sn -","- C54 H88 N4 O2 Si4 Sn2 -","2","1","","Quek, Timothy; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Heteroleptic phenoxyimino tin(ii) bis(trimethylsilyl)amides for the synthesis of poly(diester-alt-ethers) from cyclohexene oxide and succinic anhydride","Dalton Transactions","2025","54","12","5143","5152","10.1039/D4DT03514C","","","0.71073","MoKα","","0.0334","0.0272","","","0.0767","0.08","","","","","","1.032","","","","has coordinates","300982","2025-07-06","17:12:05",""
"7718122","10.5296","0.0008","9.2642","0.0007","31.659","0.003","90","","94.528","0.003","90","","3078.6","0.4","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 N2 O2 Si2 Sn -","- C28 H46 N2 O2 Si2 Sn -","- C112 H184 N8 O8 Si8 Sn4 -","4","1","","Quek, Timothy; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Heteroleptic phenoxyimino tin(ii) bis(trimethylsilyl)amides for the synthesis of poly(diester-alt-ethers) from cyclohexene oxide and succinic anhydride","Dalton Transactions","2025","54","12","5143","5152","10.1039/D4DT03514C","","","0.71073","MoKα","","0.0368","0.025","","","0.0489","0.051","","","","","","1.045","","","","has coordinates","300982","2025-07-06","17:12:05",""
"7718123","10.5871","0.0013","12.1261","0.0014","13.7342","0.0017","100.519","0.003","103.382","0.004","105.443","0.003","1596.4","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","C29H48ON2Si2Sn","","- C29 H48 N2 O Si2 Sn -","- C29 H48 N2 O Si2 Sn -","- C58 H96 N4 O2 Si4 Sn2 -","2","1","","Quek, Timothy; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Heteroleptic phenoxyimino tin(ii) bis(trimethylsilyl)amides for the synthesis of poly(diester-alt-ethers) from cyclohexene oxide and succinic anhydride","Dalton Transactions","2025","54","12","5143","5152","10.1039/D4DT03514C","","","0.71073","MoKα","","0.0184","0.0172","","","0.045","0.0455","","","","","","1.115","","","","has coordinates","300982","2025-07-06","17:12:05",""
"7718124","9.9746","0.0013","27.777","0.003","12.2977","0.0015","90","","90.057","0.004","90","","3407.3","0.7","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H52 N2 O Si2 Sn -","- C31 H52 N2 O Si2 Sn -","- C124 H208 N8 O4 Si8 Sn4 -","4","1","","Quek, Timothy; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Heteroleptic phenoxyimino tin(ii) bis(trimethylsilyl)amides for the synthesis of poly(diester-alt-ethers) from cyclohexene oxide and succinic anhydride","Dalton Transactions","2025","54","12","5143","5152","10.1039/D4DT03514C","","","0.71073","MoKα","","0.0901","0.0385","","","0.0755","0.1104","","","","","","1.331","","","","has coordinates","300982","2025-07-06","17:12:05",""
"7718125","10.621","0.0013","18.034","0.002","18.943","0.002","90","","99.493","0.004","90","","3578.6","0.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H56 N2 O Si2 Sn -","- C33 H56 N2 O Si2 Sn -","- C132 H224 N8 O4 Si8 Sn4 -","4","1","","Quek, Timothy; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Heteroleptic phenoxyimino tin(ii) bis(trimethylsilyl)amides for the synthesis of poly(diester-alt-ethers) from cyclohexene oxide and succinic anhydride","Dalton Transactions","2025","54","12","5143","5152","10.1039/D4DT03514C","","","0.71073","MoKα","","0.0205","0.0178","","","0.0459","0.0472","","","","","","1.08","","","","has coordinates,has disorder","300982","2025-07-06","17:12:05",""
"7718126","21.59","0.0019","21.3852","0.0017","14.0681","0.0013","90","","101.53","0.003","90","","6364.3","1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H86 F6 N4 O2 Si4 Sn2 -","- C56 H86 F6 N4 O2 Si4 Sn2 -","- C224 H344 F24 N16 O8 Si16 Sn8 -","4","1","","Quek, Timothy; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Heteroleptic phenoxyimino tin(ii) bis(trimethylsilyl)amides for the synthesis of poly(diester-alt-ethers) from cyclohexene oxide and succinic anhydride","Dalton Transactions","2025","54","12","5143","5152","10.1039/D4DT03514C","","","0.71073","MoKα","","0.0285","0.0243","","","0.0563","0.0583","","","","","","1.041","","","","has coordinates,has disorder","300982","2025-07-06","17:12:05",""
"7718127","17.3796","0.0008","18.5286","0.001","22.9413","0.001","90","","101.332","0.007","90","","7243.5","0.6","115","","115","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H99 N3 O2 Sn -","- C80 H99 N3 O2 Sn -","- C320 H396 N12 O8 Sn4 -","4","1","","Sugimoto, Hideki; Yoneda, Akira; Yano, Mayuka; Sato, Kazunobu; Shiota, Yoshihito; Miyanishi, Mayuko; Yoshizawa, Kazunari; Itoh, Shinobu","Redox-active tin(II) complexes with sterically demanding <i>o</i>-phenylenediamido ligands and their reactivity with organic azides.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5025","5034","10.1039/d5dt00100e","","x-ray","0.71075","MoKα","","0.0933","0.064","","","0.1233","0.1337","","","","","","1.186","","","","has coordinates","300994","2025-07-06","17:17:13",""
"7718128","9.5302","0.0008","31.242","0.002","11.5295","0.001","90","","90","","90","","3432.8","0.5","158","","158","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C38 H46 N2 O Sn -","- C38 H46 N2 O Sn -","- C152 H184 N8 O4 Sn4 -","4","0.5","","Sugimoto, Hideki; Yoneda, Akira; Yano, Mayuka; Sato, Kazunobu; Shiota, Yoshihito; Miyanishi, Mayuko; Yoshizawa, Kazunari; Itoh, Shinobu","Redox-active tin(II) complexes with sterically demanding <i>o</i>-phenylenediamido ligands and their reactivity with organic azides.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5025","5034","10.1039/d5dt00100e","","x-ray","0.71075","MoKα","","0.0696","0.0578","","","0.1315","0.1371","","","","","","1.0394","","","","has coordinates","300994","2025-07-06","17:17:14",""
"7718129","16.8998","0.0013","18.8654","0.0016","22.6765","0.0019","90","","109.078","0.008","90","","6832.7","1","115","","115","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75.42 H93 N3.98 O3 Sn -","- C75.43 H93 N3.99 O3 Sn -","- C301.72 H372 N15.96 O12 Sn4 -","4","1","","Sugimoto, Hideki; Yoneda, Akira; Yano, Mayuka; Sato, Kazunobu; Shiota, Yoshihito; Miyanishi, Mayuko; Yoshizawa, Kazunari; Itoh, Shinobu","Redox-active tin(II) complexes with sterically demanding <i>o</i>-phenylenediamido ligands and their reactivity with organic azides.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5025","5034","10.1039/d5dt00100e","","x-ray","0.71075","MoKα","","0.1358","0.0611","","","0.1252","0.1457","","","","","","0.933","","","","has coordinates","300994","2025-07-06","17:17:14",""
"7718130","17.0941","0.0009","18.8683","0.0011","22.2358","0.0012","90","","106.608","0.007","90","","6872.7","0.7","115","","115","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H96 N4 O Sn -","- C76 H96 N4 O Sn -","- C304 H384 N16 O4 Sn4 -","4","1","","Sugimoto, Hideki; Yoneda, Akira; Yano, Mayuka; Sato, Kazunobu; Shiota, Yoshihito; Miyanishi, Mayuko; Yoshizawa, Kazunari; Itoh, Shinobu","Redox-active tin(II) complexes with sterically demanding <i>o</i>-phenylenediamido ligands and their reactivity with organic azides.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5025","5034","10.1039/d5dt00100e","","x-ray","0.71075","MoKα","","0.0683","0.0534","","","0.1424","0.156","","","","","","1.096","","","","has coordinates","300994","2025-07-06","17:17:14",""
"7718131","17.3591","0.0007","18.5527","0.0009","22.2644","0.0009","90","","106.496","0.007","90","","6875.3","0.6","115","","115","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H87 Cl2 N3 O2 Sn -","- C76 H87 Cl2 N3 O2 Sn -","- C304 H348 Cl8 N12 O8 Sn4 -","4","1","","Sugimoto, Hideki; Yoneda, Akira; Yano, Mayuka; Sato, Kazunobu; Shiota, Yoshihito; Miyanishi, Mayuko; Yoshizawa, Kazunari; Itoh, Shinobu","Redox-active tin(II) complexes with sterically demanding <i>o</i>-phenylenediamido ligands and their reactivity with organic azides.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","5025","5034","10.1039/d5dt00100e","","x-ray","0.71075","MoKα","","0.0553","0.045","","","0.1116","0.1162","","","","","","1.07","","","","has coordinates","300994","2025-07-06","17:17:14",""
"7718132","11.39","0.0001","17.675","0.0002","20.959","0.0002","90","","94.859","0.001","90","","4204.27","0.07","100","0.12","100","0.12","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C92 H76 Cl6 Cu2 N6 O10 P4 -","- C92 H76 Cl6 Cu2 N6 O10 P4 -","- C184 H152 Cl12 Cu4 N12 O20 P8 -","2","0.5","","Sztula, Adam; Antal, Peter; Nemec, Ivan; Kubala, Martin; Herchel, Radovan","A novel type of heteroleptic Cu(I) complexes featuring nitrogen-rich tetrazine ligands: syntheses, crystal structures, spectral properties, cyclic voltammetry, and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5944","5952","10.1039/d4dt03137g","","x-ray","1.54184","CuKα","","0.0539","0.0493","","","0.1376","0.142","","","","","","1.061","","","","has coordinates","300905","2025-07-06","16:36:26",""
"7718133","16.4571","0.0003","24.5382","0.0004","22.7738","0.0004","90","","98.045","0.002","90","","9106.2","0.3","99.98","0.15","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92.5 H83 Cl7 Cu2 N8 O10 P4 -","- C90 H78 Cl2 Cu2 N8 O10 P4 -","- C360 H312 Cl8 Cu8 N32 O40 P16 -","4","1","","Sztula, Adam; Antal, Peter; Nemec, Ivan; Kubala, Martin; Herchel, Radovan","A novel type of heteroleptic Cu(I) complexes featuring nitrogen-rich tetrazine ligands: syntheses, crystal structures, spectral properties, cyclic voltammetry, and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5944","5952","10.1039/d4dt03137g","","","1.54184","CuKα","","0.0798","0.066","","","0.163","0.1715","","","","","","1.032","","","","has coordinates,has disorder","300905","2025-07-06","16:36:26",""
"7718134","11.6942","0.0001","15.0439","0.0001","25.7657","0.0002","90","","99.309","0.001","90","","4473.17","0.06","297.8","0.3","298.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46.5 H37.5 Cl2.5 Cu N5 O5 P2 -","- C46 H37 Cl Cu N5 O5 P2 -","- C184 H148 Cl4 Cu4 N20 O20 P8 -","4","1","","Sztula, Adam; Antal, Peter; Nemec, Ivan; Kubala, Martin; Herchel, Radovan","A novel type of heteroleptic Cu(I) complexes featuring nitrogen-rich tetrazine ligands: syntheses, crystal structures, spectral properties, cyclic voltammetry, and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5944","5952","10.1039/d4dt03137g","","","1.54184","CuKα","","0.0454","0.0407","","","0.1147","0.1178","","","","","","1.065","","","","has coordinates,has disorder","300905","2025-07-06","16:36:26",""
"7718135","14.4022","0.0002","30.4917","0.0005","24.3287","0.0004","90","","98.823","0.001","90","","10557.5","0.3","89.9","0.3","90.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 Cl7 Cu N6 O5 P2 -","- C47.5 H41.5 Cl5.5 Cu N6 O5 P2 -","- C380 H332 Cl44 Cu8 N48 O40 P16 -","8","2","","Sztula, Adam; Antal, Peter; Nemec, Ivan; Kubala, Martin; Herchel, Radovan","A novel type of heteroleptic Cu(I) complexes featuring nitrogen-rich tetrazine ligands: syntheses, crystal structures, spectral properties, cyclic voltammetry, and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5944","5952","10.1039/d4dt03137g","","","1.54184","CuKα","","0.1094","0.0827","","","0.2046","0.22","","","","","","1.028","","","","has coordinates,has disorder","300905","2025-07-06","16:36:26",""
"7718136","17.8109","","22.2177","","5.1321","","90","","90","","90","","2030.86","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Disilver Cesium Catena-15-borate","","- Ag2 B15 Cs O24 -","- Ag2 B15 Cs O24 -","- Ag8 B60 Cs4 O96 -","4","1","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Ligand-directed top-down synthesis of trivacant lacunary polyoxomolybdates from plenary Keggin-type [α-XMo<sub>12</sub>O<sub>40</sub>]<sup>3-</sup> (X = P, As, V) in organic media.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8234","8240","10.1039/d5dt00252d","","","","","","0.0712","","","","","","","","","","","","","","","has coordinates","300862","2025-07-06","16:19:53",""
"7718137","16.6755","0.0003","25.1212","0.0005","46.4027","0.0009","90","","90","","90","","19438.5","0.6","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70 H132 Mo9 N11 O31 V -","- C70 H132 Mo9 N11 O31 V -","- C560 H1056 Mo72 N88 O248 V8 -","8","1","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Ligand-directed top-down synthesis of trivacant lacunary polyoxomolybdates from plenary Keggin-type [α-XMo<sub>12</sub>O<sub>40</sub>]<sup>3-</sup> (X = P, As, V) in organic media.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8234","8240","10.1039/d5dt00252d","","","0.71073","MoKα","","0.1192","0.0916","","","0.2342","0.2548","","","","","","1.036","","","","has coordinates,has disorder","300862","2025-07-06","16:19:53",""
"7718138","27.5846","0.0002","27.5846","0.0002","27.5846","0.0002","90","","90","","90","","20989.4","0.3","93","2","93","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C66 H120 Mo9 N9 O31 P -","- C66 H120 Mo9 N9 O31 P -","- C528 H960 Mo72 N72 O248 P8 -","8","0.333333","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Ligand-directed top-down synthesis of trivacant lacunary polyoxomolybdates from plenary Keggin-type [α-XMo<sub>12</sub>O<sub>40</sub>]<sup>3-</sup> (X = P, As, V) in organic media.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8234","8240","10.1039/d5dt00252d","","","0.71073","MoKα","","0.0748","0.0491","","","0.1355","0.1511","","","","","","1.041","","","","has coordinates","300862","2025-07-06","16:19:53",""
"7718139","19.4803","0.0002","19.4803","0.0002","51.6719","0.0006","90","","90","","120","","16981.5","0.3","93","2","93","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C92 H162 As Mo9 N7 O34 -","- C92 H162 As Mo9 N7 O34 -","- C552 H971.998 As6 Mo54 N42 O204 -","6","0.333333","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Ligand-directed top-down synthesis of trivacant lacunary polyoxomolybdates from plenary Keggin-type [α-XMo<sub>12</sub>O<sub>40</sub>]<sup>3-</sup> (X = P, As, V) in organic media.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8234","8240","10.1039/d5dt00252d","","","0.71073","MoKα","","0.0448","0.0426","","","0.1119","0.1134","","","","","","1.088","","","","has coordinates","300862","2025-07-06","16:19:53",""
"7718140","16.6642","0.0003","25.1809","0.0004","46.3159","0.0008","90","","90","","90","","19435.1","0.6","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C68 H129 As Mo9 N10 O31 -","- C68 H129 As Mo9 N10 O31 -","- C544 H1032 As8 Mo72 N80 O248 -","8","1","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Ligand-directed top-down synthesis of trivacant lacunary polyoxomolybdates from plenary Keggin-type [α-XMo<sub>12</sub>O<sub>40</sub>]<sup>3-</sup> (X = P, As, V) in organic media.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8234","8240","10.1039/d5dt00252d","","","0.71073","MoKα","","0.0977","0.0705","","","0.1203","0.1289","","","","","","1.087","","","","has coordinates,has disorder","300862","2025-07-06","16:19:53",""
"7718141","37.1811","0.0002","37.1811","0.0002","52.7775","0.0004","90","","90","","120","","63186.4","0.7","93","2","93","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C84 H150 Mo18 N9 O68 V2 -","- C84 H150 Mo18 N9 O68 V2 -","- C1008 H1800 Mo216 N108 O816 V24 -","12","0.666667","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Ligand-directed top-down synthesis of trivacant lacunary polyoxomolybdates from plenary Keggin-type [α-XMo<sub>12</sub>O<sub>40</sub>]<sup>3-</sup> (X = P, As, V) in organic media.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8234","8240","10.1039/d5dt00252d","","","0.71073","MoKα","","0.0379","0.0324","","","0.0728","0.0746","","","","","","1.034","","","","has coordinates","300862","2025-07-06","16:19:53",""
"7718142","56.299","0.003","9.2556","0.0005","25.787","0.0014","90","","108.105","0.003","90","","12771.8","1.2","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C154 H115 F12 N9 O2 P2 Zn -","- C154 H115 F12 N9 O2 P2 Zn -","- C616 H460 F48 N36 O8 P8 Zn4 -","4","0.5","","Peng, Yi-Mei; Guan, Yu-Ming; Bai, Qixia; Chen, Gang; Lin, Wei-Quan; Pang, Jing-Xian; Xu, Wen-Bo; Wang, Pingshan; Xie, Ting-Zheng","<i>Anti</i> AIE single molecule fluorescent switches for detection of heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8773","8777","10.1039/d5dt00041f","","","1.34139","GaKα","","0.1123","0.0828","","","0.2205","0.2446","","","","","","1.057","","","","has coordinates,has disorder","300774","2025-07-06","15:33:12",""
"7718143","8.9566","0.0009","13.6649","0.0012","29.392","0.003","80.736","0.003","84.755","0.003","82.12","0.003","3508","0.6","298","2","298","","","","","","","","","6","P -1","-P 1","2","","Mebzimpy-Cu-phen","","- C64 H59 Cl4 Cu2 N15 O19 -","- C62 H50 Cl4 Cu2 N14 O16 -","- C124 H100 Cl8 Cu4 N28 O32 -","2","1","","Roy, Indrajit; Mathur, Shobhit; Deb, Sourav; Rathnam, Sharan Shanmuga Vuppaladadium; Tuti, Nikhil; Shaji, Unnikrishnan Paruthiyezhath; L, Karthikeyan; Roy, Anindya; Maji, Somnath","Benzimidazole-based mononuclear polypyridyl Cu(II) complexes: DNA binding, cleavage, and <i>in vitro</i> antiproliferative studies.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6386","6401","10.1039/d4dt03379e","","","0.71073","MoKα","","0.1304","0.0643","","","0.1565","0.1845","","","","","","1.032","","","","has coordinates","300833","2025-07-06","16:06:55",""
"7718144","9.1527","0.0007","14.2703","0.0011","14.6239","0.0011","90.791","0.003","99.831","0.003","108.495","0.002","1780.1","0.2","298","2","298","","","","","","","","","6","P -1","-P 1","2","","Mebzimpy-Cu-phen","","- C35 H28 Cl2 Cu N8 O8 -","- C33 H25 Cl2 Cu N7 O8 -","- C66 H50 Cl4 Cu2 N14 O16 -","2","1","","Roy, Indrajit; Mathur, Shobhit; Deb, Sourav; Rathnam, Sharan Shanmuga Vuppaladadium; Tuti, Nikhil; Shaji, Unnikrishnan Paruthiyezhath; L, Karthikeyan; Roy, Anindya; Maji, Somnath","Benzimidazole-based mononuclear polypyridyl Cu(II) complexes: DNA binding, cleavage, and <i>in vitro</i> antiproliferative studies.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6386","6401","10.1039/d4dt03379e","","","0.71073","MoKα","","0.0827","0.0631","","","0.1782","0.1962","","","","","","1.032","","","","has coordinates","300833","2025-07-06","16:06:55",""
"7718145","13.4155","0.0009","15.0657","0.001","18.0834","0.001","90","","102.119","0.002","90","","3573.5","0.4","298","2","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Mebimpy-Cu-Me2phen","","- C35 H29 Cl2 Cu N7 O8 -","- C35 H29 Cl2 Cu N7 O8 -","- C140 H116 Cl8 Cu4 N28 O32 -","4","1","","Roy, Indrajit; Mathur, Shobhit; Deb, Sourav; Rathnam, Sharan Shanmuga Vuppaladadium; Tuti, Nikhil; Shaji, Unnikrishnan Paruthiyezhath; L, Karthikeyan; Roy, Anindya; Maji, Somnath","Benzimidazole-based mononuclear polypyridyl Cu(II) complexes: DNA binding, cleavage, and <i>in vitro</i> antiproliferative studies.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6386","6401","10.1039/d4dt03379e","","","0.71073","MoKα","","0.126","0.0733","","","0.2067","0.244","","","","","","1.041","","","","has coordinates","300833","2025-07-06","16:06:55",""
"7718146","11.7033","0.0009","15.0094","0.001","10.7908","0.0008","90","","90","","90","","1895.5","0.2","169.99","0.1","170.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","butoxo-oxo-(N'-(3-methoxy-2-oxo-benzylidene)isonicotinoylhydrazonato)vanadium(v)","","- C18 H20 N3 O5 V -","- C18 H20 N3 O5 V -","- C72 H80 N12 O20 V4 -","4","1","","Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Cocut, Andrea; Hrenar, Tomica; Agustin, Dominique; Pisk, Jana; Vrdoljak, Višnja","Influence of ancillary ligands on the formation and functionality of oxovanadium(V) metallosupramolecular assemblies: advanced computational and catalytic analyses.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5532","5545","10.1039/d5dt00105f","","","1.54184","CuKα","","0.06","0.0499","","","0.1323","0.1424","","","","","","1.092","","","","has coordinates,has disorder","300886","2025-07-06","16:29:24",""
"7718147","17.5584","0.0002","17.5584","0.0002","22.6538","0.0005","90","","90","","90","","6984.11","0.19","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","tetrakis(propoxo-oxo-(N'-(3-methoxy-2-oxo-benzylidene)isonicotinoylhydrazonato)vanadium(v))","","- C17 H18 N3 O5 V -","- C17 H18 N3 O5 V -","- C272 H288 N48 O80 V16 -","16","1","","Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Cocut, Andrea; Hrenar, Tomica; Agustin, Dominique; Pisk, Jana; Vrdoljak, Višnja","Influence of ancillary ligands on the formation and functionality of oxovanadium(V) metallosupramolecular assemblies: advanced computational and catalytic analyses.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5532","5545","10.1039/d5dt00105f","","","1.54184","CuKα","","0.0646","0.0531","","","0.1493","0.1585","","","","","","1.042","","","","has coordinates","300886","2025-07-06","16:29:33",""
"7718148","11.8119","0.0005","14.9558","0.0006","10.9912","0.0006","90","","90","","90","","1941.67","0.16","170","0.1","170.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","pentoxo-oxo-(N'-(3-methoxy-2-oxo-benzylidene)isonicotinoylhydrazonato)vanadium(v)","","- C19 H22 N3 O5 V -","- C19 H22 N3 O5 V -","- C76 H88 N12 O20 V4 -","4","1","","Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Cocut, Andrea; Hrenar, Tomica; Agustin, Dominique; Pisk, Jana; Vrdoljak, Višnja","Influence of ancillary ligands on the formation and functionality of oxovanadium(V) metallosupramolecular assemblies: advanced computational and catalytic analyses.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5532","5545","10.1039/d5dt00105f","","","1.54184","CuKα","","0.0688","0.0541","","","0.1442","0.1793","","","","","","1.152","","","","has coordinates,has disorder","300886","2025-07-06","16:29:33",""
"7718149","7.289","0.0003","10.4109","0.0005","10.58","0.0004","107.183","0.004","97.28","0.003","91.817","0.004","758.82","0.06","169.99","0.1","170.15","","","","","","","","","5","P -1","-P 1","2","","dioxo-(N'-(3-methoxy-2-oxo-benzylidene)isonicotinoylhydrazonato)vanadium(v) dihydrate","","- C14 H15 N3 O7 V -","- C14 H15 N3 O7 V -","- C28 H30 N6 O14 V2 -","2","1","","Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Cocut, Andrea; Hrenar, Tomica; Agustin, Dominique; Pisk, Jana; Vrdoljak, Višnja","Influence of ancillary ligands on the formation and functionality of oxovanadium(V) metallosupramolecular assemblies: advanced computational and catalytic analyses.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5532","5545","10.1039/d5dt00105f","","","1.54184","CuKα","","0.0627","0.0592","","","0.1775","0.182","","","","","","1.078","","","","has coordinates","300886","2025-07-06","16:29:33",""
"7718150","17.6211","0.0004","17.6211","0.0004","21.2898","0.0009","90","","90","","90","","6610.6","0.4","173.16","0.1","173.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","tetrakis(ethoxo-oxo-(N'-(3-methoxy-2-oxo-benzylidene)isonicotinoylhydrazonato)vanadium(v))","","- C64 H64 N12 O20 V4 -","- C64 H64 N12 O20 V4 -","- C256 H256 N48 O80 V16 -","4","0.25","","Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Cocut, Andrea; Hrenar, Tomica; Agustin, Dominique; Pisk, Jana; Vrdoljak, Višnja","Influence of ancillary ligands on the formation and functionality of oxovanadium(V) metallosupramolecular assemblies: advanced computational and catalytic analyses.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5532","5545","10.1039/d5dt00105f","","","1.54184","CuKα","","0.0558","0.0468","","","0.1233","0.1352","","","","","","1.131","","","","has coordinates","300886","2025-07-06","16:29:33",""
"7718151","17.5925","0.0004","17.5925","0.0004","21.626","0.0009","90","","90","","90","","6693.2","0.4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","tetrakis(methoxo-oxo-(N'-(3-methoxy-2-oxo-benzylidene)isonicotinoylhydrazonato)vanadium(v))","","- C60 H56 N12 O20 V4 -","- C60 H56 N12 O20 V4 -","- C240 H224 N48 O80 V16 -","4","0.25","","Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Cocut, Andrea; Hrenar, Tomica; Agustin, Dominique; Pisk, Jana; Vrdoljak, Višnja","Influence of ancillary ligands on the formation and functionality of oxovanadium(V) metallosupramolecular assemblies: advanced computational and catalytic analyses.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5532","5545","10.1039/d5dt00105f","","","0.71073","MoKα","","0.0701","0.048","","","0.1208","0.1321","","","","","","1.024","","","","has coordinates","300886","2025-07-06","16:29:33",""
"7718152","7.28057","0.00004","10.45368","0.00005","12.64056","0.00006","113.267","0.0004","96.4325","0.0004","97.8303","0.0004","860.915","0.008","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(ethanol)-cis-(2-oxido-3-methoxybenzaldehydeisonicotinylhydrazonato)-dioxomolybdenum(vi)","","- C16 H17 Mo N3 O6 -","- C16 H17 Mo N3 O6 -","- C32 H34 Mo2 N6 O12 -","2","1","","Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Cocut, Andrea; Hrenar, Tomica; Agustin, Dominique; Pisk, Jana; Vrdoljak, Višnja","Influence of ancillary ligands on the formation and functionality of oxovanadium(V) metallosupramolecular assemblies: advanced computational and catalytic analyses.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5532","5545","10.1039/d5dt00105f","","","1.54184","CuKα","","0.0198","0.0197","","","0.0515","0.0516","","","","","","1.07","","","","has coordinates","300886","2025-07-06","16:29:33",""
"7718153","15.4904","0.0009","30.9857","0.0012","14.0729","0.001","90","","107.513","0.007","90","","6441.6","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H29 N6 O12 V2 -","- C28 H23 N6 O10 V2 -","- C224 H184 N48 O80 V16 -","8","2","","Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Cocut, Andrea; Hrenar, Tomica; Agustin, Dominique; Pisk, Jana; Vrdoljak, Višnja","Influence of ancillary ligands on the formation and functionality of oxovanadium(V) metallosupramolecular assemblies: advanced computational and catalytic analyses.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5532","5545","10.1039/d5dt00105f","","","0.71073","MoKα","","0.0646","0.0469","","","0.083","0.0911","","","","","","0.97","","","","has coordinates","300886","2025-07-06","16:29:33",""
"7718154","9.3768","0.0008","9.3768","0.0008","18.877","0.002","90","","90","","90","","1659.7","0.3","100","","100","","","","","","","","","5","P 43","P 4cw","78","","Me","","- C17 H20 Br N3 Ni -","- C17 H20 Br N3 Ni -","- C68 H80 Br4 N12 Ni4 -","4","1","","Leung, Joshua Ji-Nung; Bae, Dae Young; Moshood, Yusuff; Mirica, Liviu M.","C-C and C-O bond formation reactivity of nickel complexes supported by the pyridinophane <sup>Me</sup>N3C ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5286","5292","10.1039/d5dt00135h","","","0.71073","MoKα","","0.0552","0.0464","","","0.1003","0.1034","","","","","","1.068","","","","has coordinates","300878","2025-07-06","16:26:11",""
"7718155","15.609","0.0004","8.767","0.0002","14.6494","0.0003","90","","90","","90","","2004.68","0.08","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H24 Cl2 N4 Ni -","- C19 H24 Cl2 N4 Ni -","- C76 H96 Cl8 N16 Ni4 -","4","1","","Leung, Joshua Ji-Nung; Bae, Dae Young; Moshood, Yusuff; Mirica, Liviu M.","C-C and C-O bond formation reactivity of nickel complexes supported by the pyridinophane <sup>Me</sup>N3C ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5286","5292","10.1039/d5dt00135h","","","0.71073","MoKα","","0.0191","0.0188","","","0.0475","0.0477","","","","","","1.072","","","","has coordinates","300878","2025-07-06","16:26:12",""
"7718156","10.2675","0.0003","18.8199","0.0005","15.6377","0.0004","90","","97.2359","0.0008","90","","2997.66","0.14","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 F12 N6 Ni P2 -","- C23 H29 F12 N6 Ni P2 -","- C92 H116 F48 N24 Ni4 P8 -","4","1","","Leung, Joshua Ji-Nung; Bae, Dae Young; Moshood, Yusuff; Mirica, Liviu M.","C-C and C-O bond formation reactivity of nickel complexes supported by the pyridinophane <sup>Me</sup>N3C ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5286","5292","10.1039/d5dt00135h","","","0.71073","MoKα","","0.0383","0.0353","","","0.0855","0.0872","","","","","","1.045","","","","has coordinates","300878","2025-07-06","16:26:12",""
"7718157","12.8864","0.0003","15.0143","0.0003","18.1804","0.0004","90","","90","","90","","3517.55","0.13","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H21 Br2 N3 Ni -","- C17 H21 Br2 N3 Ni -","- C136 H168 Br16 N24 Ni8 -","8","1","","Leung, Joshua Ji-Nung; Bae, Dae Young; Moshood, Yusuff; Mirica, Liviu M.","C-C and C-O bond formation reactivity of nickel complexes supported by the pyridinophane <sup>Me</sup>N3C ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5286","5292","10.1039/d5dt00135h","","","0.71073","MoKα","","0.0201","0.0172","","","0.0408","0.042","","","","","","1.028","","","","has coordinates","300878","2025-07-06","16:26:12",""
"7718158","13.2054","0.0004","13.5806","0.0004","17.2734","0.0005","88.46","0.001","89.927","0.001","80.05","0.001","3050.05","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H30 F12 N6 Ni P2 -","- C23 H30 F12 N6 Ni P2 -","- C92 H120 F48 N24 Ni4 P8 -","4","2","","Leung, Joshua Ji-Nung; Bae, Dae Young; Moshood, Yusuff; Mirica, Liviu M.","C-C and C-O bond formation reactivity of nickel complexes supported by the pyridinophane <sup>Me</sup>N3C ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5286","5292","10.1039/d5dt00135h","","","0.71073","MoKα","","0.049","0.0461","","","0.1098","0.1122","","","","","","1.034","","","","has coordinates","300878","2025-07-06","16:26:12",""
"7718159","15.271","0.002","15.552","0.002","21.622","0.003","90","","105.223","0.002","90","","4954.9","1.1","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Cl2 Co N4 O8 S2 -","- C18 H22 Cl2 Co N4 O8 S2 -","- C144 H176 Cl16 Co8 N32 O64 S16 -","8","1","","Ishizuka, Tomoya; Hamaguchi, Asuka; Hayashi, Yuki; Tsukakoshi, Yuto; Kotani, Hiroaki; Kawanishi, Takuya; Kojima, Takahiko","Photocatalytic CO<sub>2</sub> reduction catalysed by 3d transition metal complexes bearing an S<sub>2</sub>N<sub>2</sub> ancillary ligand equipped with pyridine pendants as binding sites for Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5319","5326","10.1039/d4dt02922d","","","0.71073","MoKα","","0.048","0.043","","","0.0929","0.0962","","","","","","1.055","","","","has coordinates,has disorder","300888","2025-07-06","16:30:00",""
"7718160","10.581","0.007","11.018","0.007","11.389","0.013","109.06","0.009","91.661","0.009","118.443","0.006","1075.9","1.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H20 Cl2 Mn N2 O10 S2 -","- C14 H20 Cl2 Mn N2 O10 S2 -","- C28 H40 Cl4 Mn2 N4 O20 S4 -","2","1","","Ishizuka, Tomoya; Hamaguchi, Asuka; Hayashi, Yuki; Tsukakoshi, Yuto; Kotani, Hiroaki; Kawanishi, Takuya; Kojima, Takahiko","Photocatalytic CO<sub>2</sub> reduction catalysed by 3d transition metal complexes bearing an S<sub>2</sub>N<sub>2</sub> ancillary ligand equipped with pyridine pendants as binding sites for Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5319","5326","10.1039/d4dt02922d","","","0.71073","MoKα","","0.1148","0.1124","","","0.2903","0.2919","","","","","","1.074","","","","has coordinates","300888","2025-07-06","16:30:00",""
"7718161","12.063","0.002","12.378","0.002","16.823","0.003","90.471","0.002","94.895","0.002","90.773","0.002","2502.4","0.7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 Cl2 Fe N4 O8 S2 -","- C18 H22 Cl2 Fe N4 O8 S2 -","- C72 H88 Cl8 Fe4 N16 O32 S8 -","4","2","","Ishizuka, Tomoya; Hamaguchi, Asuka; Hayashi, Yuki; Tsukakoshi, Yuto; Kotani, Hiroaki; Kawanishi, Takuya; Kojima, Takahiko","Photocatalytic CO<sub>2</sub> reduction catalysed by 3d transition metal complexes bearing an S<sub>2</sub>N<sub>2</sub> ancillary ligand equipped with pyridine pendants as binding sites for Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5319","5326","10.1039/d4dt02922d","","","0.71073","MoKα","","0.0573","0.0473","","","0.12","0.1264","","","","","","1.03","","","","has coordinates,has disorder","300888","2025-07-06","16:30:00",""
"7718162","37.9189","0.0008","17.8026","0.0004","7.3403","0.0002","90","","90","","90","","4955.1","0.2","269.99","0.1","269.99","0.1","","","","","","","","3","P m c 21","P 2c -2","26","","","","- I12 Nb4 O -","- I11.9987 Nb4 O -","- I95.99 Nb32 O8 -","8","2","","Beitlberger, Jan; Martin, Mario; Scheele, Marcus; Schmidt, Patrick; Ströbele, Markus; Meyer, H-Jürgen","The family of tetranuclear Nb<sub>4</sub>OI<sub>12-<i>x</i></sub> clusters (<i>x</i> = 0, 1, 2): from the molecular Nb<sub>4</sub>OI<sub>12</sub> cluster to extended chains and layers.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5486","5493","10.1039/d5dt00174a","","x-ray","0.71073","MoKα","","0.0568","0.0517","","","0.1413","0.1467","","","","","","1.085","","","","has coordinates,has disorder","300873","2025-07-06","16:24:36",""
"7718163","10.1217","0.0002","13.9844","0.0003","16.3913","0.0003","88.968","0.002","89.093","0.002","85.329","0.002","2311.8","0.08","150.01","0.18","150.01","0.18","","","","","","","","3","P -1","-P 1","2","","","","- I22 Nb8 O2 -","- I22 Nb8 O2 -","- I44 Nb16 O4 -","2","1","","Beitlberger, Jan; Martin, Mario; Scheele, Marcus; Schmidt, Patrick; Ströbele, Markus; Meyer, H-Jürgen","The family of tetranuclear Nb<sub>4</sub>OI<sub>12-<i>x</i></sub> clusters (<i>x</i> = 0, 1, 2): from the molecular Nb<sub>4</sub>OI<sub>12</sub> cluster to extended chains and layers.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5486","5493","10.1039/d5dt00174a","","x-ray","0.71073","MoKα","","0.021","0.0185","","","0.0581","0.059","","","","","","1.037","","","","has coordinates","300873","2025-07-06","16:24:36",""
"7718164","15.4442","0.0003","13.0449","0.0002","11.9078","0.0002","90","","105.698","0.002","90","","2309.56","0.07","220","0.9","220","0.9","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- I11 Nb4 O -","- I11 Nb4 O -","- I44 Nb16 O4 -","4","0.5","","Beitlberger, Jan; Martin, Mario; Scheele, Marcus; Schmidt, Patrick; Ströbele, Markus; Meyer, H-Jürgen","The family of tetranuclear Nb<sub>4</sub>OI<sub>12-<i>x</i></sub> clusters (<i>x</i> = 0, 1, 2): from the molecular Nb<sub>4</sub>OI<sub>12</sub> cluster to extended chains and layers.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5486","5493","10.1039/d5dt00174a","","x-ray","0.71073","MoKα","","0.0151","0.015","","","0.0314","0.0315","","","","","","1.43","","","","has coordinates","300873","2025-07-06","16:24:36",""
"7718165","8.2408","0.0014","13.887","0.003","22.884","0.005","90","","90","","90","","2618.8","0.9","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 N4 O -","- C15 H12 N4 O -","- C120 H96 N32 O8 -","8","1","","Kakoulidou, Chrisoula; Hatzidimitriou, Antonios G.; Fylaktakidou, Konstantina C.; Psomas, George","A mononuclear zinc(II) complex and a tetranuclear copper(II) azametallacoronate with (<i>E</i>)-2-((2-(quinazolin-4-yl)hydrazono)methyl)phenol: structure and biological activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5458","5470","10.1039/d4dt03518f","","","0.71073","MoKα","","0.0593","0.0359","","0.0635","0.0568","0.0568","","","","","","1","","","","has coordinates","300876","2025-07-06","16:25:34",""
"7718166","19.931","0.003","19.931","0.003","20.83","0.004","90","","90","","90","","8275","2","295","","295","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C72 H84 Cu4 N20 O16 -","- C72 H84 Cu4 N20 O16 -","- C288 H336 Cu16 N80 O64 -","4","0.25","","Kakoulidou, Chrisoula; Hatzidimitriou, Antonios G.; Fylaktakidou, Konstantina C.; Psomas, George","A mononuclear zinc(II) complex and a tetranuclear copper(II) azametallacoronate with (<i>E</i>)-2-((2-(quinazolin-4-yl)hydrazono)methyl)phenol: structure and biological activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5458","5470","10.1039/d4dt03518f","","","0.71073","MoKα","","0.0966","0.0577","","0.105","0.0965","0.0965","","","","","","1","","","","has coordinates,has disorder","300876","2025-07-06","16:25:35",""
"7718167","20.8047","0.001","11.9286","0.0008","26.7212","0.0012","90","","111.086","0.007","90","","6187.4","0.7","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H58 N16 O8 Zn2 -","- C63 H58 N16 O8 Zn2 -","- C252 H232 N64 O32 Zn8 -","4","1","","Kakoulidou, Chrisoula; Hatzidimitriou, Antonios G.; Fylaktakidou, Konstantina C.; Psomas, George","A mononuclear zinc(II) complex and a tetranuclear copper(II) azametallacoronate with (<i>E</i>)-2-((2-(quinazolin-4-yl)hydrazono)methyl)phenol: structure and biological activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5458","5470","10.1039/d4dt03518f","","","0.71073","MoKα","","0.0868","0.0497","","0.0925","0.0679","0.0679","","","","","","1","","","","has coordinates","300876","2025-07-06","16:25:35",""
"7718168","7.0002","0.0004","9.1418","0.0005","23.0995","0.0012","92.791","0.002","97.422","0.002","107.485","0.002","1392.13","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H33 Cl N4 O7 P2 Pt -","- C24 H33 Cl N4 O7 P2 Pt -","- C48 H66 Cl2 N8 O14 P4 Pt2 -","2","1","","Kroos, Simon; Hebenbrock, Marian; Hepp, Alexander; Layh, Marcus; Lüke, Joschua; Tonkul, Ali R.; Strassert, Cristian A.; Müller, Jens","Water-soluble luminescent platinum(II) complexes for guanine quadruplex binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5367","5390","10.1039/d4dt03067b","","","0.71073","MoKα","","0.021","0.0205","","","0.0548","0.055","","","","","","1.12","","","","has coordinates","300887","2025-07-06","16:29:48",""
"7718169","8.5196","0.0003","11.1714","0.0004","25.8021","0.0009","90","","90","","90","","2455.74","0.15","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N5 O Pt -","- C28 H27 N5 O Pt -","- C112 H108 N20 O4 Pt4 -","4","1","","Kroos, Simon; Hebenbrock, Marian; Hepp, Alexander; Layh, Marcus; Lüke, Joschua; Tonkul, Ali R.; Strassert, Cristian A.; Müller, Jens","Water-soluble luminescent platinum(II) complexes for guanine quadruplex binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5367","5390","10.1039/d4dt03067b","","","0.71073","MoKα","","0.0345","0.0311","","","0.0607","0.0618","","","","","","1.126","","","","has coordinates","300887","2025-07-06","16:29:49",""
"7718170","9.2014","0.0003","9.7423","0.0003","11.8668","0.0004","97.809","0.001","90.56","0.001","102.719","0.001","1027.18","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20.5 H24.5 Cl N4.5 O3.5 Pt -","- C20.5 H24.5 Cl N4.5 O3.5 Pt -","- C41 H49 Cl2 N9 O7 Pt2 -","2","1","","Kroos, Simon; Hebenbrock, Marian; Hepp, Alexander; Layh, Marcus; Lüke, Joschua; Tonkul, Ali R.; Strassert, Cristian A.; Müller, Jens","Water-soluble luminescent platinum(II) complexes for guanine quadruplex binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5367","5390","10.1039/d4dt03067b","","","0.71073","MoKα","","0.0147","0.0146","","","0.0367","0.0368","","","","","","1.1","","","","has coordinates,has disorder","300887","2025-07-06","16:29:49",""
"7718171","15.0888","0.0004","11.9692","0.0003","15.1411","0.0004","90","","117.659","0.001","90","","2422.01","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cl3 N4 Pt -","- C25 H21 Cl3 N4 Pt -","- C100 H84 Cl12 N16 Pt4 -","4","1","","Kroos, Simon; Hebenbrock, Marian; Hepp, Alexander; Layh, Marcus; Lüke, Joschua; Tonkul, Ali R.; Strassert, Cristian A.; Müller, Jens","Water-soluble luminescent platinum(II) complexes for guanine quadruplex binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5367","5390","10.1039/d4dt03067b","","","0.71073","MoKα","","0.0155","0.0146","","","0.0374","0.0379","","","","","","1.048","","","","has coordinates","300887","2025-07-06","16:29:49",""
"7718172","13.5359","0.0002","11.7557","0.0002","29.3343","0.0005","90","","101.057","0.002","90","","4581.14","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C18 H27 Cl3 Cu1.5 N7 -","- C18 H27 Cl3 Cu1.5 N7 -","- C144 H216 Cl24 Cu12 N56 -","8","1","","Zienkiewicz-Machnik, Małgorzata; Luboradzki, Roman; Mech-Piskorz, Justyna; Angulo, Gonzalo; Nogala, Wojciech; Ratajczyk, Tomasz; Aleshkevych, Pavlo; Kubas, Adam","Cationic-anionic complexes of Cu(II) and Co(II) with <i>N</i>-scorpionate ligand - structure, spectroscopy, and catecholase activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5268","5285","10.1039/d4dt03478c","","","0.71073","MoKα","","0.0391","0.0316","","","0.0744","0.0786","","","","","","1.065","","","","has coordinates","300884","2025-07-06","16:28:35",""
"7718173","10.4702","0.0004","11.866","0.0005","12.9663","0.0003","80.559","0.003","80.492","0.003","78.97","0.003","1544.78","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 Cl4 Co2 N10 -","- C24 H38 Cl4 Co2 N10 -","- C48 H76 Cl8 Co4 N20 -","2","1","","Zienkiewicz-Machnik, Małgorzata; Luboradzki, Roman; Mech-Piskorz, Justyna; Angulo, Gonzalo; Nogala, Wojciech; Ratajczyk, Tomasz; Aleshkevych, Pavlo; Kubas, Adam","Cationic-anionic complexes of Cu(II) and Co(II) with <i>N</i>-scorpionate ligand - structure, spectroscopy, and catecholase activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5268","5285","10.1039/d4dt03478c","","x-ray","0.71073","MoKα","","0.0394","0.0315","","","0.0766","0.0817","","","","","","1.0486","","","","has coordinates","300884","2025-07-06","16:28:35",""
"7718174","17.2107","0.0005","17.8095","0.0004","18.4348","0.0003","90","","92.706","0.002","90","","5644.2","0.2","223","","223","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C61 H48 Cl6 F3 Ir N6 O2 -","- C61 H48 Cl6 F3 Ir N6 O2 -","- C244 H192 Cl24 F12 Ir4 N24 O8 -","4","2","","Wu, Shaohua; Chen, Ping; Xia, Xiaoyang; Wang, Wenya; Xie, Qifei; Qi, Yanyu; Han, Huabo; Zhou, Liang; Lu, Guangzhao","Circularly polarized narrowband phosphorescent organic light-emitting diodes.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5805","5811","10.1039/d5dt00337g","","","1.54178","CuKα","","0.0413","0.0365","","","0.0865","0.0901","","","","","","1.049","","","","has coordinates,has disorder","300903","2025-07-06","16:35:38",""
"7718175","32.362","0.01","8.4","0.003","20.499","0.007","90","","106.531","0.007","90","","5342","3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H40 N2 Si2 Zr -","- C25 H40 N2 Si2 Zr -","- C200 H320 N16 Si16 Zr8 -","8","1","","Meyer, Felix; Demeshko, Serhiy; Golz, Christopher; Townrow, Oliver P. E.; Fischer, Malte","Isolation of the parent triplet titanocene <i>via</i> NHC stabilisation.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8035","8040","10.1039/d5dt00480b","","x-ray","0.71073","MoKα","","0.067","0.0517","","","0.1192","0.1252","","","","","","1.128","","","","has coordinates","300868","2025-07-06","16:22:56",""
"7718176","10.0604","0.0005","12.2719","0.0006","12.7261","0.0005","68.935","0.002","70.603","0.002","86.636","0.001","1379.66","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H42 N2 Si2 Zr -","- C26 H42 N2 Si2 Zr -","- C52 H84 N4 Si4 Zr2 -","2","1","","Meyer, Felix; Demeshko, Serhiy; Golz, Christopher; Townrow, Oliver P. E.; Fischer, Malte","Isolation of the parent triplet titanocene <i>via</i> NHC stabilisation.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8035","8040","10.1039/d5dt00480b","","x-ray","0.71073","MoKα","","0.0171","0.0167","","","0.0475","0.0478","","","","","","1.064","","","","has coordinates","300868","2025-07-06","16:22:59",""
"7718177","10.1419","0.001","23.0775","0.0019","11.0969","0.0012","90","","99.494","0.003","90","","2561.7","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 N2 Ti2 -","- C31 H38 N2 Ti2 -","- C124 H152 N8 Ti8 -","4","1","","Meyer, Felix; Demeshko, Serhiy; Golz, Christopher; Townrow, Oliver P. E.; Fischer, Malte","Isolation of the parent triplet titanocene <i>via</i> NHC stabilisation.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8035","8040","10.1039/d5dt00480b","","x-ray","0.71073","MoKα","","0.0662","0.0647","","","0.1408","0.1416","","","","","","1.098","","","","has coordinates","300868","2025-07-06","16:22:59",""
"7718178","11.1662","0.0014","12.1486","0.0015","19.0591","0.0012","108.24","0.002","93.973","0.003","111.063","0.003","2242.8","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H22 N2 Ti -","- C17 H22 N2 Ti -","- C102 H132 N12 Ti6 -","6","3","","Meyer, Felix; Demeshko, Serhiy; Golz, Christopher; Townrow, Oliver P. E.; Fischer, Malte","Isolation of the parent triplet titanocene <i>via</i> NHC stabilisation.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8035","8040","10.1039/d5dt00480b","","x-ray","0.71073","MoKα","","0.0344","0.0286","","","0.0731","0.077","","","","","","1.049","","","","has coordinates","300868","2025-07-06","16:23:00",""
"7718179","12.866","0.004","8.914","0.002","15.975","0.004","90","","90","","90","","1832.1","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H16 Cl2 Co N4 -","- C18 H16 Cl2 Co N4 -","- C72 H64 Cl8 Co4 N16 -","4","1","","Saini, Rahul; Kukreti, Prashant; Chauhan, Rahul; Panwar, Abhishek; Ghosh, Kaushik","A well-defined phosphine-free metal-ligand cooperative route for <i>N</i>-alkylation of aromatic amines <i>via</i> activation of renewable alcohols catalyzed by NNN pincer cobalt(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5838","5848","10.1039/d4dt03095h","","","0.71073","MoKα","","0.0654","0.0418","","","0.1021","0.118","","","","","","1.053","","","","has coordinates","300891","2025-07-06","16:30:46",""
"7718180","14.7263","0.0006","13.7199","0.0006","11.4426","0.0005","90","","109.199","0.002","90","","2183.32","0.16","102","2","102","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 Co N5 -","- C20 H17 Cl2 Co N5 -","- C80 H68 Cl8 Co4 N20 -","4","1","","Saini, Rahul; Kukreti, Prashant; Chauhan, Rahul; Panwar, Abhishek; Ghosh, Kaushik","A well-defined phosphine-free metal-ligand cooperative route for <i>N</i>-alkylation of aromatic amines <i>via</i> activation of renewable alcohols catalyzed by NNN pincer cobalt(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5838","5848","10.1039/d4dt03095h","","","0.71073","MoKα","","0.0663","0.0406","","","0.0847","0.0962","","","","","","1.015","","","","has coordinates","300891","2025-07-06","16:30:46",""
"7718181","8.6521","0.0011","28.997","0.002","21.0931","0.0019","90","","100.523","0.004","90","","5202.9","0.9","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 N42 O38 -","- C18 H28 N42 O38 -","- C72 H112 N168 O152 -","4","0.5","","Li, Miao; Zhang, Yubei; Dong, Yaqun; Liu, Jing; Liu, Yuji; Huang, Wei; Xiao, Chuan; Cheng, Guangbin; Tang, Yongxing","A high-density energetic ammonium salt <i>via</i> a polynitropyrazolate counteranion.","Dalton transactions (Cambridge, England : 2003)","2025","54","11","4444","4448","10.1039/d5dt00237k","","x-ray","1.54178","CuKα","","0.0682","0.0655","","","0.1722","0.1736","","","","","","1.145","","","","has coordinates,has disorder","300968","2025-07-06","17:04:56",""
"7718182","9.8811","0.0003","21.5359","0.0005","11.6074","0.0003","90","","107.453","0.003","90","","2356.32","0.12","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H11 Cl5 Cu I N3 O2 -","- C21 H11 Cl5 Cu I N3 O2 -","- C84 H44 Cl20 Cu4 I4 N12 O8 -","4","1","","Molčanov, Lidija; Krawczuk, Anna; Pavić, Luka; Jurić, Marijana; Androš Dubraja, Lidija; Molčanov, Krešimir","Charge transfer between a metal-bound halide and a quinone through π-hole interactions leads to bulk conductivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5796","5804","10.1039/d4dt02961e","","","0.71073","MoKα","","0.0569","0.0476","","","","0.1013","","","","","","1.047","","","","has coordinates","300897","2025-07-06","16:32:25",""
"7718183","9.9379","0.0001","21.8375","0.0002","11.5806","0.0001","90","","108.201","0.001","90","","2387.46","0.04","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H11 Br5 Cl Cu N3 O2 -","- C21 H11 Br5 Cl Cu N3 O2 -","- C84 H44 Br20 Cl4 Cu4 N12 O8 -","4","1","","Molčanov, Lidija; Krawczuk, Anna; Pavić, Luka; Jurić, Marijana; Androš Dubraja, Lidija; Molčanov, Krešimir","Charge transfer between a metal-bound halide and a quinone through π-hole interactions leads to bulk conductivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5796","5804","10.1039/d4dt02961e","","","1.54184","CuKα","","0.0492","0.0465","","","","0.1383","","","","","","1.002","","","","has coordinates","300897","2025-07-06","16:32:26",""
"7718184","10.2662","0.0003","22.1191","0.0005","11.614","0.0003","90","","107.596","0.003","90","","2513.9","0.12","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H11 Br4 Cl Cu I N3 O2 -","- C21 H11 Br4 Cl Cu I N3 O2 -","- C84 H44 Br16 Cl4 Cu4 I4 N12 O8 -","4","1","","Molčanov, Lidija; Krawczuk, Anna; Pavić, Luka; Jurić, Marijana; Androš Dubraja, Lidija; Molčanov, Krešimir","Charge transfer between a metal-bound halide and a quinone through π-hole interactions leads to bulk conductivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5796","5804","10.1039/d4dt02961e","","","0.71073","MoKα","","0.0839","0.0653","","","","0.2131","","","","","","1","","","","has coordinates","300897","2025-07-06","16:32:35",""
"7718185","9.7933","0.0003","21.5537","0.0006","11.6287","0.0004","90","","108.617","0.004","90","","2326.17","0.14","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H11 Br1.35 Cl4.66 Cu N3 O2 -","- C21 H11 Br1.345 Cl4.655 Cu N3 O2 -","- C84 H44 Br5.38 Cl18.62 Cu4 N12 O8 -","4","1","","Molčanov, Lidija; Krawczuk, Anna; Pavić, Luka; Jurić, Marijana; Androš Dubraja, Lidija; Molčanov, Krešimir","Charge transfer between a metal-bound halide and a quinone through π-hole interactions leads to bulk conductivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5796","5804","10.1039/d4dt02961e","","","0.71073","MoKα","","0.1048","0.0704","","","","0.1454","","","","","","1.164","","","","has coordinates","300897","2025-07-06","16:32:35",""
"7718186","11.4856","0.0005","19.564","0.001","6.7815","0.0003","90","","95.718","0.002","90","","1516.25","0.12","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 B10 N O -","- C10 H17 B10 N O -","- C40 H68 B40 N4 O4 -","4","1","","Rao, Hui; Jia, Hairui; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular oxidative annulation: synthesis of <i>o</i>-carboranoxazoles.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4866","4870","10.1039/d5dt00382b","","","1.34139","GaKα","","0.0739","0.0678","","","0.1797","0.1845","","","","","","1.081","","","","has coordinates","300993","2025-07-06","17:16:54",""
"7718187","6.759","0.0002","20.9675","0.0006","9.2775","0.0003","90","","98.688","0.002","90","","1299.71","0.07","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H14 B10 N O2 -","- C7 H13 B10 N O2 -","- C28 H52 B40 N4 O8 -","4","1","","Rao, Hui; Jia, Hairui; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular oxidative annulation: synthesis of <i>o</i>-carboranoxazoles.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4866","4870","10.1039/d5dt00382b","","","1.34139","GaKα","","0.0497","0.045","","","0.1202","0.1247","","","","","","1.047","","","","has coordinates","300993","2025-07-06","17:16:55",""
"7718188","11.6871","0.0004","11.0137","0.0004","12.6106","0.0005","90","","110.678","0.002","90","","1518.65","0.1","213","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 B10 N O -","- C9 H21 B10 N O -","- C36 H84 B40 N4 O4 -","4","1","","Rao, Hui; Jia, Hairui; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular oxidative annulation: synthesis of <i>o</i>-carboranoxazoles.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4866","4870","10.1039/d5dt00382b","","","1.34139","GaKα","","0.0473","0.0443","","","0.1209","0.1237","","","","","","1.06","","","","has coordinates","300993","2025-07-06","17:16:55",""
"7718189","23.6175","0.0008","17.8626","0.0005","16.2168","0.0004","90","","90","","90","","6841.4","0.3","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C37 H51 Cl Fe N2 -","- C37 H51 Cl Fe N2 -","- C296 H408 Cl8 Fe8 N16 -","8","1","","Zinke, Julian; Bruhn, Clemens; Demeshko, Serhiy; Siemeling, Ulrich","The “pogo stick” complex [FeCp*{N(SiMe3)2}]: spin state properties, adduct formation with Lewis bases, and reactivity towards weakly Brønsted acidic protonated NHCs","Dalton Transactions","2025","54","14","5812","5828","10.1039/D5DT00300H","","x-ray","1.54186","CuKα","","0.0266","0.0244","","","0.0602","0.0616","","","","","","1.037","","","","has coordinates","300899","2025-07-06","16:33:45",""
"7718190","11.0667","0.0004","17.2682","0.0007","19.653","0.0007","90","","100.046","0.003","90","","3698.1","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H61 Cl Fe N2 Si2 -","- C28 H61 Cl Fe N2 Si2 -","- C112 H244 Cl4 Fe4 N8 Si8 -","4","1","","Zinke, Julian; Bruhn, Clemens; Demeshko, Serhiy; Siemeling, Ulrich","The “pogo stick” complex [FeCp*{N(SiMe3)2}]: spin state properties, adduct formation with Lewis bases, and reactivity towards weakly Brønsted acidic protonated NHCs","Dalton Transactions","2025","54","14","5812","5828","10.1039/D5DT00300H","","x-ray","0.71073","MoKα","","0.0719","0.0586","","","0.1676","0.178","","","","","","1.133","","","","has coordinates","300899","2025-07-06","16:33:45",""
"7718191","18.9537","0.0004","19.2088","0.0004","29.7352","0.0006","90","","98.754","0.002","90","","10699.8","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H43 Fe N3 Si2 -","- C23 H43 Fe N3 Si2 -","- C368 H688 Fe16 N48 Si32 -","16","4","","Zinke, Julian; Bruhn, Clemens; Demeshko, Serhiy; Siemeling, Ulrich","The “pogo stick” complex [FeCp*{N(SiMe3)2}]: spin state properties, adduct formation with Lewis bases, and reactivity towards weakly Brønsted acidic protonated NHCs","Dalton Transactions","2025","54","14","5812","5828","10.1039/D5DT00300H","","x-ray","0.71073","MoKα","","0.0744","0.0619","","","0.1589","0.191","","","","","","1.051","","","","has coordinates","300899","2025-07-06","16:33:45",""
"7718192","31.82","0.002","15.1513","0.0007","26.4423","0.0016","90","","141.3","0.003","90","","7970.7","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H64 Br Fe N2 Si2 -","- C31 H64 Br Fe N2 Si2 -","- C248 H512 Br8 Fe8 N16 Si16 -","8","1","","Zinke, Julian; Bruhn, Clemens; Demeshko, Serhiy; Siemeling, Ulrich","The “pogo stick” complex [FeCp*{N(SiMe3)2}]: spin state properties, adduct formation with Lewis bases, and reactivity towards weakly Brønsted acidic protonated NHCs","Dalton Transactions","2025","54","14","5812","5828","10.1039/D5DT00300H","","x-ray","0.71073","MoKα","","0.1075","0.0542","","","0.0973","0.1165","","","","","","1.017","","","","has coordinates,has disorder","300899","2025-07-06","16:33:45",""
"7718193","12.595","0.002","27.76","0.002","14.5083","0.0014","90","","115.625","0.011","90","","4573.7","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Fe2 I2 N4 -","- C44 H56 Fe2 I2 N4 -","- C176 H224 Fe8 I8 N16 -","4","1","","Zinke, Julian; Bruhn, Clemens; Demeshko, Serhiy; Siemeling, Ulrich","The “pogo stick” complex [FeCp*{N(SiMe3)2}]: spin state properties, adduct formation with Lewis bases, and reactivity towards weakly Brønsted acidic protonated NHCs","Dalton Transactions","2025","54","14","5812","5828","10.1039/D5DT00300H","","x-ray","0.71073","MoKα","","0.075","0.0531","","","0.1344","0.1527","","","","","","1.022","","","","has coordinates","300899","2025-07-06","16:33:45",""
"7718194","16.928","0.002","20.7331","0.0015","10.0628","0.0011","90","","90","","90","","3531.7","0.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C41 H49 Cl Fe2 N2 -","- C41 H49 Cl Fe2 N2 -","- C164 H196 Cl4 Fe8 N8 -","4","0.5","","Zinke, Julian; Bruhn, Clemens; Demeshko, Serhiy; Siemeling, Ulrich","The “pogo stick” complex [FeCp*{N(SiMe3)2}]: spin state properties, adduct formation with Lewis bases, and reactivity towards weakly Brønsted acidic protonated NHCs","Dalton Transactions","2025","54","14","5812","5828","10.1039/D5DT00300H","","x-ray","1.54186","CuKα","","0.089","0.0692","","","0.1736","0.1924","","","","","","1.027","","","","has coordinates","300899","2025-07-06","16:33:45",""
"7718195","11.6577","0.0003","20.9198","0.0004","15.6499","0.0004","90","","102.915","0.002","90","","3720.1","0.16","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 Cl Fe N2 -","- C40 H54 Cl Fe N2 -","- C160 H216 Cl4 Fe4 N8 -","4","1","","Zinke, Julian; Bruhn, Clemens; Demeshko, Serhiy; Siemeling, Ulrich","The “pogo stick” complex [FeCp*{N(SiMe3)2}]: spin state properties, adduct formation with Lewis bases, and reactivity towards weakly Brønsted acidic protonated NHCs","Dalton Transactions","2025","54","14","5812","5828","10.1039/D5DT00300H","","x-ray","1.54186","CuKα","","0.0618","0.0458","","","0.104","0.115","","","","","","1.097","","","","has coordinates","300899","2025-07-06","16:33:45",""
"7718196","12.5906","0.0007","14.1602","0.0007","15.1245","0.0008","70.092","0.004","89.668","0.004","73.82","0.004","2423","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H66 Cl2 Fe2 N2 -","- C55 H66 Cl2 Fe2 N2 -","- C110 H132 Cl4 Fe4 N4 -","2","1","","Zinke, Julian; Bruhn, Clemens; Demeshko, Serhiy; Siemeling, Ulrich","The “pogo stick” complex [FeCp*{N(SiMe3)2}]: spin state properties, adduct formation with Lewis bases, and reactivity towards weakly Brønsted acidic protonated NHCs","Dalton Transactions","2025","54","14","5812","5828","10.1039/D5DT00300H","","x-ray","1.54186","CuKα","","0.0987","0.0631","","","0.1413","0.1593","","","","","","1.059","","","","has coordinates","300899","2025-07-06","16:33:45",""
"7718197","17.077","0.0007","20.682","0.0007","10.0448","0.0004","90","","90","","90","","3547.7","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C41 H49 Br Fe2 N2 -","- C41 H49 Br Fe2 N2 -","- C164 H196 Br4 Fe8 N8 -","4","0.5","","Zinke, Julian; Bruhn, Clemens; Demeshko, Serhiy; Siemeling, Ulrich","The “pogo stick” complex [FeCp*{N(SiMe3)2}]: spin state properties, adduct formation with Lewis bases, and reactivity towards weakly Brønsted acidic protonated NHCs","Dalton Transactions","2025","54","14","5812","5828","10.1039/D5DT00300H","","x-ray","1.54186","CuKα","","0.0605","0.0432","","","0.1017","0.1112","","","","","","1.038","","","","has coordinates","300899","2025-07-06","16:33:45",""
"7718198","10.6053","0.0006","19.0292","0.0008","14.8035","0.0008","90","","92.581","0.004","90","","2984.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H37 Cl Fe2 N2 -","- C35 H37 Cl Fe2 N2 -","- C140 H148 Cl4 Fe8 N8 -","4","1","","Zinke, Julian; Bruhn, Clemens; Demeshko, Serhiy; Siemeling, Ulrich","The “pogo stick” complex [FeCp*{N(SiMe3)2}]: spin state properties, adduct formation with Lewis bases, and reactivity towards weakly Brønsted acidic protonated NHCs","Dalton Transactions","2025","54","14","5812","5828","10.1039/D5DT00300H","","x-ray","0.71073","MoKα","","0.0868","0.0609","","","0.1625","0.2292","","","","","","1.196","","","","has coordinates","300899","2025-07-06","16:33:45",""
"7718199","10.7264","0.0004","18.7784","0.0006","14.9961","0.0005","90","","94.026","0.003","90","","3013.13","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H37 Br Fe2 N2 -","- C35 H37 Br Fe2 N2 -","- C140 H148 Br4 Fe8 N8 -","4","1","","Zinke, Julian; Bruhn, Clemens; Demeshko, Serhiy; Siemeling, Ulrich","The “pogo stick” complex [FeCp*{N(SiMe3)2}]: spin state properties, adduct formation with Lewis bases, and reactivity towards weakly Brønsted acidic protonated NHCs","Dalton Transactions","2025","54","14","5812","5828","10.1039/D5DT00300H","","x-ray","0.71073","MoKα","","0.038","0.0306","","","0.0753","0.0803","","","","","","1.058","","","","has coordinates","300899","2025-07-06","16:33:45",""
"7718200","14.1651","0.001","17.6905","0.0012","22.2919","0.0016","67.201","0.005","72.354","0.006","70.236","0.005","4750","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 Fe I N2 -","- C19 H25 Fe I N2 -","- C190 H250 Fe10 I10 N20 -","10","5","","Zinke, Julian; Bruhn, Clemens; Demeshko, Serhiy; Siemeling, Ulrich","The “pogo stick” complex [FeCp*{N(SiMe3)2}]: spin state properties, adduct formation with Lewis bases, and reactivity towards weakly Brønsted acidic protonated NHCs","Dalton Transactions","2025","54","14","5812","5828","10.1039/D5DT00300H","","x-ray","0.71073","MoKα","","0.1111","0.0689","","","0.1398","0.1747","","","","","","1.174","","","","has coordinates,has disorder","300899","2025-07-06","16:33:45",""
"7718201","11.2935","0.0009","11.4184","0.0009","12.767","0.001","87.754","0.006","70.742","0.006","61.971","0.006","1358.6","0.2","100","","100","","","","","","","","","7","P 1","P 1","1","","","","- C64 H67 F6 Fe3 N4 O P -","- C64 H67 F6 Fe3 N4 O P -","- C64 H67 F6 Fe3 N4 O P -","1","1","","Zinke, Julian; Bruhn, Clemens; Demeshko, Serhiy; Siemeling, Ulrich","The “pogo stick” complex [FeCp*{N(SiMe3)2}]: spin state properties, adduct formation with Lewis bases, and reactivity towards weakly Brønsted acidic protonated NHCs","Dalton Transactions","2025","54","14","5812","5828","10.1039/D5DT00300H","","x-ray","0.71073","MoKα","","0.1348","0.0871","","","0.1904","0.2216","","","","","","1.031","","","","has coordinates","300899","2025-07-06","16:33:45",""
"7718202","16.6856","0.0011","17.8813","0.001","17.8666","0.0011","111.389","0.004","90.28","0.005","107.295","0.005","4700.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H68 Br Fe2 N3 Si2 -","- C47 H68 Br Fe2 N3 Si2 -","- C188 H272 Br4 Fe8 N12 Si8 -","4","2","","Zinke, Julian; Bruhn, Clemens; Demeshko, Serhiy; Siemeling, Ulrich","The “pogo stick” complex [FeCp*{N(SiMe3)2}]: spin state properties, adduct formation with Lewis bases, and reactivity towards weakly Brønsted acidic protonated NHCs","Dalton Transactions","2025","54","14","5812","5828","10.1039/D5DT00300H","","x-ray","0.71073","MoKα","","0.1085","0.0576","","","0.1245","0.1481","","","","","","1.005","","","","has coordinates,has disorder","300899","2025-07-06","16:33:45",""
"7718203","12.631","0.0002","26.5578","0.0005","14.654","0.0002","90","","91.099","0.002","90","","4914.8","0.14","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Phenothiazene","","- C60 H45 Fe3 N S -","- C60 H45 Fe3 N S -","- C240 H180 Fe12 N4 S4 -","4","1","","Gupta, Deeksha; Tiwari, Nikhil Ji; Singh, Prabal Pratap; Misra, Rajneesh","Design, synthesis, and redox properties of donor-π-donor ferrocenyl functionalized phenothiazine derivatives.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5906","5920","10.1039/d4dt03552f","","x-ray","0.71073","MoKα","","0.0483","0.0362","","","0.096","0.1002","","","","","","1.141","","","","has coordinates","300890","2025-07-06","16:30:32",""
"7718204","21.8411","0.0005","10.6895","0.0003","16.3082","0.0003","90","","91.229","0.002","90","","3806.61","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H37 Fe2 N S -","- C50 H37 Fe2 N S -","- C200 H148 Fe8 N4 S4 -","4","1","","Gupta, Deeksha; Tiwari, Nikhil Ji; Singh, Prabal Pratap; Misra, Rajneesh","Design, synthesis, and redox properties of donor-π-donor ferrocenyl functionalized phenothiazine derivatives.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5906","5920","10.1039/d4dt03552f","","x-ray","0.71073","MoKα","","0.0564","0.0395","","","0.0988","0.1047","","","","","","1.15","","","","has coordinates","300890","2025-07-06","16:30:33",""
"7718205","41.68","0.007","12.2062","0.0018","21.552","0.003","90","","113.276","0.004","90","","10072","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H46 Cd N6 O5 -","- C65 H46 Cd N6 O5 -","- C520 H368 Cd8 N48 O40 -","8","1","","Saha, Koushik; Dutta, Basudeb; Das, Pubali; Chandra, Angeera; Samanta, Arnab; Jana, Sudeep Ranjan; Naskar, Sudip; Saha, Rajat; Ray, Partha Pratim; Sinha, Chittaranjan","Structure-directing effect of terephthalate in bridging Zn(II)- and Cd(II)-based coordination polymers towards application in the detection of trace quantities of Pd<sup>2+</sup> in aqueous media and their electrical conductivities.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3346","3361","10.1039/d4dt03075c","","","0.71073","MoKα","","0.1123","0.0998","","","0.2461","0.2566","","","","","","1.046","","","","has coordinates","297958","2025-03-04","05:02:23",""
"7718206","10.8901","0.0016","10.9435","0.0016","11.3604","0.0017","110.319","0.004","100.038","0.004","98.351","0.004","1218.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 N2 O4 Zn -","- C27 H18 N2 O4 Zn -","- C54 H36 N4 O8 Zn2 -","2","1","","Saha, Koushik; Dutta, Basudeb; Das, Pubali; Chandra, Angeera; Samanta, Arnab; Jana, Sudeep Ranjan; Naskar, Sudip; Saha, Rajat; Ray, Partha Pratim; Sinha, Chittaranjan","Structure-directing effect of terephthalate in bridging Zn(II)- and Cd(II)-based coordination polymers towards application in the detection of trace quantities of Pd<sup>2+</sup> in aqueous media and their electrical conductivities.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3346","3361","10.1039/d4dt03075c","","","0.71073","MoKα","","0.0565","0.0524","","","0.1666","0.1715","","","","","","1.113","","","","has coordinates","297958","2025-03-04","05:02:28",""
"7718207","9.4953","0.0003","8.1407","0.0003","16.175","0.0006","90","","97.589","0.001","90","","1239.35","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl2 Cu N4 O2 -","- C24 H36 Cl2 Cu N4 O2 -","- C48 H72 Cl4 Cu2 N8 O4 -","2","0.5","","Maďar, Milan; Faltejsek, Jan; Bušková, Hana; Koláčná, Lucie; Jaroš, Adam; Kotek, Jan; Straka, Michal; Kubíček, Vojtěch; Ludvík, Jiří","Unusual variability of isomers in copper(II) complexes with 1,8-bis(2-hydroxybenzyl)-cyclam.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3127","3140","10.1039/d4dt03166k","","","1.54178","CuKα","","0.0345","0.03","","","0.0765","0.0794","","","","","","1.04","","","","has coordinates","297959","2025-03-04","05:06:08",""
"7718208","9.3594","0.0004","8.0453","0.0003","16.0783","0.0006","90","","96.766","0.001","90","","1202.25","0.08","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 Cl Cu N4 O3 -","- C24 H37 Cl Cu N4 O3 -","- C48 H74 Cl2 Cu2 N8 O6 -","2","0.5","","Maďar, Milan; Faltejsek, Jan; Bušková, Hana; Koláčná, Lucie; Jaroš, Adam; Kotek, Jan; Straka, Michal; Kubíček, Vojtěch; Ludvík, Jiří","Unusual variability of isomers in copper(II) complexes with 1,8-bis(2-hydroxybenzyl)-cyclam.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3127","3140","10.1039/d4dt03166k","","","0.71073","MoKα","","0.0275","0.027","","","0.0687","0.069","","","","","","1.091","","","","has coordinates,has disorder","297959","2025-03-04","05:06:10",""
"7718209","8.3779","0.0007","10.8436","0.0009","12.195","0.0011","90","","94.231","0.002","90","","1104.85","0.16","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 N4 O2 -","- C24 H36 N4 O2 -","- C48 H72 N8 O4 -","2","0.5","","Maďar, Milan; Faltejsek, Jan; Bušková, Hana; Koláčná, Lucie; Jaroš, Adam; Kotek, Jan; Straka, Michal; Kubíček, Vojtěch; Ludvík, Jiří","Unusual variability of isomers in copper(II) complexes with 1,8-bis(2-hydroxybenzyl)-cyclam.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3127","3140","10.1039/d4dt03166k","","","1.54178","CuKα","","0.0356","0.0348","","","0.0858","0.0864","","","","","","1.089","","","","has coordinates","297959","2025-03-04","05:06:10",""
"7718210","9.1079","0.0006","7.9972","0.0005","16.0972","0.0009","90","","95.474","0.002","90","","1167.14","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Cu N4 O4 -","- C24 H38 Cu N4 O4 -","- C48 H76 Cu2 N8 O8 -","2","0.5","","Maďar, Milan; Faltejsek, Jan; Bušková, Hana; Koláčná, Lucie; Jaroš, Adam; Kotek, Jan; Straka, Michal; Kubíček, Vojtěch; Ludvík, Jiří","Unusual variability of isomers in copper(II) complexes with 1,8-bis(2-hydroxybenzyl)-cyclam.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3127","3140","10.1039/d4dt03166k","","","0.71073","MoKα","","0.0593","0.0555","","","0.1427","0.1448","","","","","","1.135","","","","has coordinates","297959","2025-03-04","05:06:10",""
"7718211","9.9895","0.0004","16.3405","0.0007","9.0169","0.0004","90","","110.787","0.001","90","","1376.05","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Cl2 N4 O10 -","- C24 H38 Cl2 N4 O10 -","- C48 H76 Cl4 N8 O20 -","2","0.5","","Maďar, Milan; Faltejsek, Jan; Bušková, Hana; Koláčná, Lucie; Jaroš, Adam; Kotek, Jan; Straka, Michal; Kubíček, Vojtěch; Ludvík, Jiří","Unusual variability of isomers in copper(II) complexes with 1,8-bis(2-hydroxybenzyl)-cyclam.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3127","3140","10.1039/d4dt03166k","","","0.71073","MoKα","","0.0318","0.0297","","","0.08","0.0814","","","","","","1.076","","","","has coordinates","297959","2025-03-04","05:06:11",""
"7718212","10.2817","0.0005","14.916","0.0006","9.8782","0.0005","90","","103.85","0.002","90","","1470.89","0.12","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Cu F6 N4 O6 -","- C28 H36 Cu F6 N4 O6 -","- C56 H72 Cu2 F12 N8 O12 -","2","0.5","","Maďar, Milan; Faltejsek, Jan; Bušková, Hana; Koláčná, Lucie; Jaroš, Adam; Kotek, Jan; Straka, Michal; Kubíček, Vojtěch; Ludvík, Jiří","Unusual variability of isomers in copper(II) complexes with 1,8-bis(2-hydroxybenzyl)-cyclam.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3127","3140","10.1039/d4dt03166k","","","0.71073","MoKα","","0.0299","0.0293","","","0.0782","0.0787","","","","","","1.066","","","","has coordinates,has disorder","297959","2025-03-04","05:06:11",""
"7718213","8.8895","0.0003","10.6168","0.0003","14.1906","0.0004","100.064","0.001","105.331","0.001","90.96","0.001","1268.95","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H42 Cu N4 O4 -","- C26 H42 Cu N4 O4 -","- C52 H84 Cu2 N8 O8 -","2","1","","Maďar, Milan; Faltejsek, Jan; Bušková, Hana; Koláčná, Lucie; Jaroš, Adam; Kotek, Jan; Straka, Michal; Kubíček, Vojtěch; Ludvík, Jiří","Unusual variability of isomers in copper(II) complexes with 1,8-bis(2-hydroxybenzyl)-cyclam.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3127","3140","10.1039/d4dt03166k","","","0.71073","MoKα","","0.0317","0.0284","","","0.0731","0.075","","","","","","1.032","","","","has coordinates","297959","2025-03-04","05:06:11",""
"7718214","8.28","0.0003","17.1762","0.0008","18.4257","0.0009","90","","94.991","0.002","90","","2610.5","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 Cu F3 N4 O4 -","- C26 H35 Cu F3 N4 O4 -","- C104 H140 Cu4 F12 N16 O16 -","4","1","","Maďar, Milan; Faltejsek, Jan; Bušková, Hana; Koláčná, Lucie; Jaroš, Adam; Kotek, Jan; Straka, Michal; Kubíček, Vojtěch; Ludvík, Jiří","Unusual variability of isomers in copper(II) complexes with 1,8-bis(2-hydroxybenzyl)-cyclam.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3127","3140","10.1039/d4dt03166k","","","0.71073","MoKα","","0.0292","0.027","","","0.0696","0.0709","","","","","","1.045","","","","has coordinates,has disorder","297959","2025-03-04","05:06:11",""
"7718215","11.1466","0.0007","15.5923","0.0007","17.9463","0.001","90","","93.646","0.002","90","","3112.8","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H48 Cu N4 O9 S -","- C27 H48 Cu N4 O9 S -","- C108 H192 Cu4 N16 O36 S4 -","4","1","","Maďar, Milan; Faltejsek, Jan; Bušková, Hana; Koláčná, Lucie; Jaroš, Adam; Kotek, Jan; Straka, Michal; Kubíček, Vojtěch; Ludvík, Jiří","Unusual variability of isomers in copper(II) complexes with 1,8-bis(2-hydroxybenzyl)-cyclam.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3127","3140","10.1039/d4dt03166k","","","0.71073","MoKα","","0.0513","0.039","","","0.0857","0.0909","","","","","","1.038","","","","has coordinates","297959","2025-03-04","05:06:11",""
"7718216","10.447","0.0009","17.1641","0.0015","19.1368","0.0017","64.427","0.003","89.789","0.003","74.342","0.003","2955.2","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H94 Cu2 N8 O14 S -","- C54 H94 Cu2 N8 O14 S -","- C108 H188 Cu4 N16 O28 S2 -","2","1","","Maďar, Milan; Faltejsek, Jan; Bušková, Hana; Koláčná, Lucie; Jaroš, Adam; Kotek, Jan; Straka, Michal; Kubíček, Vojtěch; Ludvík, Jiří","Unusual variability of isomers in copper(II) complexes with 1,8-bis(2-hydroxybenzyl)-cyclam.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3127","3140","10.1039/d4dt03166k","","","0.71073","MoKα","","0.0676","0.0596","","","0.1698","0.1795","","","","","","1.047","","","","has coordinates,has disorder","297959","2025-03-04","05:06:11",""
"7718217","17.1451","0.0016","17.4275","0.0014","21.318","0.002","90","","92.412","0.004","90","","6364.1","1","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H86 Fe2 N4 O6 P2 -","- C64 H86 Fe2 N4 O6 P2 -","- C256 H344 Fe8 N16 O24 P8 -","4","1","","Feil, Christoph M.; Goerigk, Florian; Stöckl, Yannick; Nieger, Martin; Gudat, Dietrich","Diverse reactivity of a cationic N-heterocyclic phosphenium complex towards anionic substrates - substitution <i>vs.</i> reduction.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1806","1814","10.1039/d4dt03352c","","","0.71073","MoKα","","0.0547","0.0356","","","0.0809","0.0898","","","","","","1.013","","","","has coordinates","297960","2025-03-04","05:09:09",""
"7718218","19.504","0.003","20.268","0.003","7.771","0.0011","90","","90","","90","","3071.9","0.8","135","2","135","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H37 Fe N2 O4 P -","- C30 H37 Fe N2 O4 P -","- C120 H148 Fe4 N8 O16 P4 -","4","0.5","","Feil, Christoph M.; Goerigk, Florian; Stöckl, Yannick; Nieger, Martin; Gudat, Dietrich","Diverse reactivity of a cationic N-heterocyclic phosphenium complex towards anionic substrates - substitution <i>vs.</i> reduction.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1806","1814","10.1039/d4dt03352c","","","0.71073","MoKα","","0.1589","0.1081","","","0.2661","0.3211","","","","","","1.121","","","","has coordinates,has disorder","297960","2025-03-04","05:09:10",""
"7718219","10.5577","0.0004","15.8428","0.0006","18.8333","0.0006","90","","99.915","0.002","90","","3103.07","0.19","135","2","135","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 Fe I N2 O3 P -","- C29 H36 Fe I N2 O3 P -","- C116 H144 Fe4 I4 N8 O12 P4 -","4","1","","Feil, Christoph M.; Goerigk, Florian; Stöckl, Yannick; Nieger, Martin; Gudat, Dietrich","Diverse reactivity of a cationic N-heterocyclic phosphenium complex towards anionic substrates - substitution <i>vs.</i> reduction.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1806","1814","10.1039/d4dt03352c","","","1.54178","CuKα","","0.0446","0.0324","","","0.0689","0.0735","","","","","","1.034","","","","has coordinates","297960","2025-03-04","05:09:10",""
"7718220","19.0542","0.0007","12.7479","0.0005","22.9643","0.0009","90","","96.523","0.001","90","","5541.9","0.4","135","2","135","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H74 Fe N4 O6 P2 -","- C56 H74 Fe N4 O6 P2 -","- C224 H296 Fe4 N16 O24 P8 -","4","1","","Feil, Christoph M.; Goerigk, Florian; Stöckl, Yannick; Nieger, Martin; Gudat, Dietrich","Diverse reactivity of a cationic N-heterocyclic phosphenium complex towards anionic substrates - substitution <i>vs.</i> reduction.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1806","1814","10.1039/d4dt03352c","","","0.71073","MoKα","","0.0711","0.0451","","","0.098","0.1081","","","","","","1.017","","","","has coordinates,has disorder","297960","2025-03-04","05:09:10",""
"7718221","10.4231","0.0005","15.9589","0.0007","18.5439","0.0008","90","","97.918","0.002","90","","3055.2","0.2","135","2","135","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H36 Br Fe N2 O3 P -","- C29 H36 Br Fe N2 O3 P -","- C116 H144 Br4 Fe4 N8 O12 P4 -","4","1","","Feil, Christoph M.; Goerigk, Florian; Stöckl, Yannick; Nieger, Martin; Gudat, Dietrich","Diverse reactivity of a cationic N-heterocyclic phosphenium complex towards anionic substrates - substitution <i>vs.</i> reduction.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1806","1814","10.1039/d4dt03352c","","","0.71073","MoKα","","0.0607","0.0342","","","0.0691","0.0766","","","","","","1.013","","","","has coordinates","297960","2025-03-04","05:09:11",""
"7718222","10.6034","0.0004","14.1577","0.0005","24.0619","0.0008","90","","98.392","0.001","90","","3573.5","0.2","130","2","130","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 F3 Fe N2 O7 P S -","- C31 H36 F3 Fe N2 O7 P S -","- C124 H144 F12 Fe4 N8 O28 P4 S4 -","4","1","","Feil, Christoph M.; Goerigk, Florian; Stöckl, Yannick; Nieger, Martin; Gudat, Dietrich","Diverse reactivity of a cationic N-heterocyclic phosphenium complex towards anionic substrates - substitution <i>vs.</i> reduction.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1806","1814","10.1039/d4dt03352c","","","0.71073","MoKα","","0.0667","0.0389","","","0.0809","0.0909","","","","","","1.006","","","","has coordinates","297960","2025-03-04","05:09:11",""
"7718223","11.7867","0.0008","14.0597","0.0008","16.5324","0.001","91.523","0.005","97.74","0.004","104.937","0.005","2617.6","0.3","135","2","135","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H72 B Fe N2 O3 P2 -","- C56 H72 B Fe N2 O3 P2 -","- C112 H144 B2 Fe2 N4 O6 P4 -","2","1","","Feil, Christoph M.; Goerigk, Florian; Stöckl, Yannick; Nieger, Martin; Gudat, Dietrich","Diverse reactivity of a cationic N-heterocyclic phosphenium complex towards anionic substrates - substitution <i>vs.</i> reduction.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1806","1814","10.1039/d4dt03352c","","","1.54178","CuKα","","0.1136","0.0548","","","0.1109","0.1329","","","","","","1.011","","","","has coordinates","297960","2025-03-04","05:09:11",""
"7718224","9.3014","0.0004","15.9429","0.0006","20.7089","0.0009","90","","90","","90","","3070.9","0.2","135","2","135","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 Cl Fe N2 O4 P -","- C30 H36 Cl Fe N2 O4 P -","- C120 H144 Cl4 Fe4 N8 O16 P4 -","4","1","","Feil, Christoph M.; Goerigk, Florian; Stöckl, Yannick; Nieger, Martin; Gudat, Dietrich","Diverse reactivity of a cationic N-heterocyclic phosphenium complex towards anionic substrates - substitution <i>vs.</i> reduction.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1806","1814","10.1039/d4dt03352c","","","0.71073","MoKα","","0.0328","0.0269","","","0.0637","0.0657","","","","","","1.031","","","","has coordinates","297960","2025-03-04","05:09:11",""
"7718225","9.3489","0.0002","15.7776","0.0004","20.71","0.0005","90","","94.16","0.001","90","","3046.74","0.13","135","2","135","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 F Fe N2 O4 P -","- C30 H36 F Fe N2 O4 P -","- C120 H144 F4 Fe4 N8 O16 P4 -","4","1","","Feil, Christoph M.; Goerigk, Florian; Stöckl, Yannick; Nieger, Martin; Gudat, Dietrich","Diverse reactivity of a cationic N-heterocyclic phosphenium complex towards anionic substrates - substitution <i>vs.</i> reduction.","Dalton transactions (Cambridge, England : 2003)","2025","54","5","1806","1814","10.1039/d4dt03352c","","","0.71073","MoKα","","0.0449","0.0342","","","0.0856","0.0913","","","","","","1.029","","","","has coordinates","297960","2025-03-04","05:09:11",""
"7718226","9.6531","0.0006","13.4278","0.0009","14.0646","0.0009","89.361","0.005","81.596","0.005","85.812","0.005","1798.7","0.2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H49 Al Br2 Fe -","- C38 H49 Al Br2 Fe -","- C76 H98 Al2 Br4 Fe2 -","2","1","","Anzai, Togo; Sugamata, Koh; Sasamori, Takahiro","Monomeric tri-coordinated bis(ferrocenyl)haloalumanes.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1360","1364","10.1039/d4dt03233k","","","0.71073","MoKα","","0.2521","0.1355","","","0.2051","0.2467","","","","","","1.126","","","","has coordinates,has disorder","297961","2025-03-04","05:12:11",""
"7718227","27.6731","0.0012","22.0774","0.0006","11.0682","0.0003","90","","100.582","0.003","90","","6647.1","0.4","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H98 Al Cl Fe2 -","- C76 H98 Al Cl Fe2 -","- C304 H392 Al4 Cl4 Fe8 -","4","1","","Anzai, Togo; Sugamata, Koh; Sasamori, Takahiro","Monomeric tri-coordinated bis(ferrocenyl)haloalumanes.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1360","1364","10.1039/d4dt03233k","","","0.4139","Synchrotron","","0.1349","0.0832","","","0.1609","0.1827","","","","","","1.124","","","","has coordinates,has disorder","297961","2025-03-04","05:12:12",""
"7718228","30.2977","0.0008","11.2247","0.0002","24.8238","0.0006","90","","122.98","0.004","90","","7081.8","0.4","103","2","103","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C79 H105 Al Br Fe2 -","- C79 H105 Al Br Fe2 -","- C316 H420 Al4 Br4 Fe8 -","4","1","","Anzai, Togo; Sugamata, Koh; Sasamori, Takahiro","Monomeric tri-coordinated bis(ferrocenyl)haloalumanes.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1360","1364","10.1039/d4dt03233k","","","0.71073","MoKα","","0.0417","0.0345","","","0.0744","0.0771","","","","","","1.025","","","","has coordinates,has disorder","297961","2025-03-04","05:12:12",""
"7718229","41.545","0.006","11.2552","0.0004","24.773","0.003","90","","142.79","0.03","90","","7005","5","103","2","103","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C79 H105 Al Fe2 I -","- C79 H105 Al Fe2 I -","- C316 H420 Al4 Fe8 I4 -","4","1","","Anzai, Togo; Sugamata, Koh; Sasamori, Takahiro","Monomeric tri-coordinated bis(ferrocenyl)haloalumanes.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1360","1364","10.1039/d4dt03233k","","","0.71073","MoKα","","0.1404","0.0807","","","0.1311","0.1511","","","","","","1.053","","","","has coordinates,has disorder","297961","2025-03-04","05:12:12",""
"7718230","9.8469","0.0002","14.9905","0.0003","16.4903","0.0003","103.731","0.002","90.967","0.001","92.201","0.002","2361.98","0.08","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H66 Al Br2 Fe O -","- C51 H66 Al Br2 Fe O -","- C102 H132 Al2 Br4 Fe2 O2 -","2","1","","Anzai, Togo; Sugamata, Koh; Sasamori, Takahiro","Monomeric tri-coordinated bis(ferrocenyl)haloalumanes.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1360","1364","10.1039/d4dt03233k","","","0.71073","MoKα","","0.029","0.0262","","","0.0659","0.0673","","","","","","1.017","","","","has coordinates","297961","2025-03-04","05:12:12",""
"7718231","17.3092","0.0004","17.3092","0.0004","9.1504","0.0003","90","","90","","90","","2741.54","0.13","302","","302","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- Cs2 I8 O21 Pb24 -","- Cs2 I8 O21 Pb24 -","- Cs4 I16 O42 Pb48 -","2","0.25","","Maimaiti, Mayinuer; Yan, Yuchen; Wu, Jinche; Han, Tingwen; Xie, Jing; Zhang, Min","3Pb<sub>8</sub>O<sub>7</sub>I<sub>2</sub>·2CsI: the salt-inclusion strategy enriches the structural chemistry in lead oxyhalides.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1370","1376","10.1039/d4dt03212h","","","0.71073","MoKα","","0.0313","0.023","","","0.049","0.0537","","","","","","0.9862","","","","has coordinates","297962","2025-03-04","05:13:18",""
"7718232","16.023","0.0005","19.1998","0.0006","25.557","0.0008","73.256","0.003","88.743","0.003","79.28","0.003","7393.4","0.4","150","0.14","150","0.14","","","","","","","","6","P 1","P 1","1","","","","- C194 H131 Eu2 F56 N3 O24 -","- C194 H131 Eu2 F56 N3 O24 -","- C194 H131 Eu2 F56 N3 O24 -","1","1","","Wang, Xinglu; Ma, Qing; Yin, Sen; Gao, Ting; Yan, Pengfei; Zhou, Yanyan; Li, Hongfeng","Solvent induced self-assembly of a dinuclear Eu(III) helicate and emergent strong CPL.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1343","1347","10.1039/d4dt02934h","","x-ray","0.71073","MoKα","","0.1557","0.0726","","","0.1497","0.1894","","","","","","0.903","","","","has coordinates,has disorder","297963","2025-03-04","05:16:27",""
"7718233","14.8908","0.0002","15.5061","0.0002","28.8135","0.0004","102.065","0.001","91.086","0.001","99.248","0.001","6411.94","0.15","99.8","0.4","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H183 Dy O55 P5 W12 -","- C92 H183 Dy O55 P5 W12 -","- C184 H366 Dy2 O110 P10 W24 -","2","1","","Lowe, Ethan; Wilson, Claire; Canaj, Angelos B.; Murrie, Mark","Polyoxometalates as advanced-performance anions for ∼<i>D</i><sub>5h</sub> Dy(III) single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","477","481","10.1039/d4dt02877e","","","0.71073","MoKα","","0.0925","0.0704","","","0.1819","0.1934","","","","","","1.02","","","","has coordinates,has disorder","297964","2025-03-04","05:16:45",""
"7718234","13.228","0.003","13.887","0.003","17.57","0.004","69.038","0.008","85.126","0.006","85.016","0.007","2997.5","1.2","168","2","168","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C42 H58 Br3.44 Cl1.56 F15 Mg3 O6 Pb -","- C42 H60 Br3.441 Cl1.559 F15 Mg3 O6 Pb -","- C84 H120 Br6.882 Cl3.118 F30 Mg6 O12 Pb2 -","2","1","","Someşan, Adrian-Alexandru; Roisnel, Thierry; Sarazin, Yann","Of perfluorinated aryllead(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","482","486","10.1039/d4dt03167a","","x-ray","0.71073","MoKα","","0.0957","0.0564","","","0.1394","0.1594","","","","","","1.032","","","","has coordinates,has disorder","297965","2025-03-04","05:19:57",""
"7718235","7.8568","0.0008","7.9859","0.0008","15.6528","0.0015","95.693","0.003","91.114","0.004","115.308","0.003","881.38","0.15","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H8 F10 O2 Pb -","- C16 H8 F10 O2 Pb -","- C32 H16 F20 O4 Pb2 -","2","1","","Someşan, Adrian-Alexandru; Roisnel, Thierry; Sarazin, Yann","Of perfluorinated aryllead(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","482","486","10.1039/d4dt03167a","","x-ray","0.71073","MoKα","","0.0252","0.0238","","","0.0572","0.0578","","","","","","1.036","","","","has coordinates","297965","2025-03-04","05:19:59",""
"7718236","7.8568","0.0008","7.9859","0.0008","15.6528","0.0015","95.693","0.003","91.114","0.004","115.308","0.003","881.38","0.15","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H8 F10 O2 Pb -","- C16 H8 F10 O2 Pb -","- C32 H16 F20 O4 Pb2 -","2","1","","Someşan, Adrian-Alexandru; Roisnel, Thierry; Sarazin, Yann","Of perfluorinated aryllead(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","482","486","10.1039/d4dt03167a","","x-ray","0.71073","MoKα","","0.0252","0.0238","","","0.0572","0.0578","","","","","","1.036","","","","has coordinates","297965","2025-03-04","05:20:00",""
"7718237","14.22","0.004","14.478","0.004","17.924","0.004","90","","90","","90","","3690.1","1.7","150","2","150","2","","","","","","","synthesis as described","5","P c c n","-P 2ab 2ac","56","","","","- C14 H20 Br2 Mg N4 -","- C14 H20 Br2 Mg N4 -","- C112 H160 Br16 Mg8 N32 -","8","1","","Someşan, Adrian-Alexandru; Roisnel, Thierry; Sarazin, Yann","Of perfluorinated aryllead(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","482","486","10.1039/d4dt03167a","","x-ray","0.71073","MoKα","","0.1598","0.0586","","","0.1116","0.1422","","","","","","0.978","","","","has coordinates","297965","2025-03-04","05:20:00",""
"7718238","9.9952","0.001","10.1428","0.0011","10.8362","0.0012","95.488","0.004","95.241","0.004","112.298","0.004","1002","0.19","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C40 H8 F30 O2 Sn2 -","- C40 H8 F30 O2 Sn2 -","- C40 H8 F30 O2 Sn2 -","1","0.5","","Someşan, Adrian-Alexandru; Roisnel, Thierry; Sarazin, Yann","Of perfluorinated aryllead(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","482","486","10.1039/d4dt03167a","","x-ray","0.71073","MoKα","","0.0532","0.0421","","","0.0983","0.1095","","","","","","1.043","","","","has coordinates","297965","2025-03-04","05:20:09",""
"7718239","29.534","0.002","9.7686","0.0007","21.753","0.0018","90","","115.859","0.005","90","","5647.5","0.8","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H37 Ni O P Si2 -","- C28 H37 Ni O P Si2 -","- C224 H296 Ni8 O8 P8 Si16 -","8","1","","Martín, M Trinidad; Carrasco, Carlos J.; Santamaría, Nazaret; Maya, Celia; Prieto, Auxiliadora; Galindo, Agustín; Nicasio, M. Carmen","Low-coordinate bis-phosphine and monophosphine Ni(0) complexes: synthesis and reactivity in C-S cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2645","2653","10.1039/d4dt03375b","","","0.56086","AgKα","","0.0953","0.0456","","","0.1034","0.1276","","","","","","1.011","","","","has coordinates","297966","2025-03-04","05:22:16",""
"7718240","11.9594","0.0003","29.1507","0.0007","13.3094","0.0003","90","","93.941","0.001","90","","4629.02","0.19","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H46 Ni O4 P2 -","- C60 H46 Ni O4 P2 -","- C240 H184 Ni4 O16 P8 -","4","1","","Martín, M Trinidad; Carrasco, Carlos J.; Santamaría, Nazaret; Maya, Celia; Prieto, Auxiliadora; Galindo, Agustín; Nicasio, M. Carmen","Low-coordinate bis-phosphine and monophosphine Ni(0) complexes: synthesis and reactivity in C-S cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2645","2653","10.1039/d4dt03375b","","","0.71073","MoKα","","0.0494","0.0397","","","0.089","0.0936","","","","","","1.061","","","","has coordinates","297966","2025-03-04","05:22:17",""
"7718241","12.527","0.003","23.642","0.006","14.134","0.003","90","","112.336","0.008","90","","3871.9","1.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H55 Ni O2 P Si2 -","- C32 H45 Ni O P Si2 -","- C128 H180 Ni4 O4 P4 Si8 -","4","1","","Martín, M Trinidad; Carrasco, Carlos J.; Santamaría, Nazaret; Maya, Celia; Prieto, Auxiliadora; Galindo, Agustín; Nicasio, M. Carmen","Low-coordinate bis-phosphine and monophosphine Ni(0) complexes: synthesis and reactivity in C-S cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2645","2653","10.1039/d4dt03375b","","","0.56086","AgKα","","0.0428","0.0347","","","0.0872","0.0913","","","","","","1.052","","","","has coordinates,has disorder","297966","2025-03-04","05:22:17",""
"7718242","15.041","0.0004","11.245","0.0003","9.1142","0.0003","90","","102.95","0.003","90","","1502.33","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cl2 N3 O2 Ru -","- C15 H9 Cl2 N3 O2 Ru -","- C60 H36 Cl8 N12 O8 Ru4 -","4","1","","Khaled, Rabaa M.; Abo-Elfadl, Mahmoud T; Radacki, Krzysztof; Abo Zeid, Mona A. M.; Shehab, Ola R.; Abdel-Kader, Nora S; Mostafa, Gamal A. E.; Ali, Essam A.; Al Neyadi, Shaikha S.; Mansour, Ahmed M.","Visible-light-induced CO-releasing properties and cytotoxicity of a Ru(II) carbonyl complex containing 2-(pyridin-2-yl)-quinoxaline.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2529","2539","10.1039/d4dt03082f","","x-ray","0.71073","MoKα","K-L~2,3~","0.0421","0.0382","","","0.1041","0.1067","","","","","","1.09","","","","has coordinates","297967","2025-03-04","05:25:15",""
"7718243","7.9741","0.0003","10.8973","0.0005","12.7245","0.0005","73.962","0.002","73.763","0.001","78.458","0.001","1011.21","0.07","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cl Ge N5 -","- C22 H20 Cl Ge N5 -","- C44 H40 Cl2 Ge2 N10 -","2","1","","Nicasio, Antonio I.; Somerville, Rosie J.; Sahagún, Pablo; Soto, Enrique; López-Serrano, Joaquín; Campos, Jesús","Carbon-carbon bond formation and cleavage at redox active bis(pyridylimino)isoindole (BPI) germylene compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3039","3046","10.1039/d4dt03489a","","","0.71073","MoKα","","0.0585","0.0367","","","0.0905","0.1117","","","","","","1.141","","","","has coordinates","297968","2025-03-04","05:26:37",""
"7718244","18.5687","0.0015","18.5687","0.0015","5.0359","0.0006","90","","90","","90","","1736.4","0.3","193","2","193","2","","","","","","","","5","P 43","P 4cw","78","","","","- C18 H12 Cl Ge N5 -","- C18 H12 Cl Ge N5 -","- C72 H48 Cl4 Ge4 N20 -","4","1","","Nicasio, Antonio I.; Somerville, Rosie J.; Sahagún, Pablo; Soto, Enrique; López-Serrano, Joaquín; Campos, Jesús","Carbon-carbon bond formation and cleavage at redox active bis(pyridylimino)isoindole (BPI) germylene compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3039","3046","10.1039/d4dt03489a","","","0.71073","MoKα","","0.0927","0.0728","","","0.1305","0.1362","","","","","","1.181","","","","has coordinates","297968","2025-03-04","05:26:38",""
"7718245","9.5726","0.0005","12.0978","0.0006","17.3933","0.001","91.942","0.002","94.075","0.002","107.72","0.002","1910.59","0.18","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 Ge2 N10 O -","- C44 H42 Ge2 N10 O -","- C88 H84 Ge4 N20 O2 -","2","1","","Nicasio, Antonio I.; Somerville, Rosie J.; Sahagún, Pablo; Soto, Enrique; López-Serrano, Joaquín; Campos, Jesús","Carbon-carbon bond formation and cleavage at redox active bis(pyridylimino)isoindole (BPI) germylene compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3039","3046","10.1039/d4dt03489a","","","0.71073","MoKα","","0.0887","0.0669","","","0.1093","0.1164","","","","","","1.258","","","","has coordinates","297968","2025-03-04","05:26:38",""
"7718246","16.5131","0.0008","13.2092","0.0008","16.4883","0.0009","90","","98.056","0.002","90","","3561","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl Ge N5 -","- C20 H16 Cl Ge N5 -","- C160 H128 Cl8 Ge8 N40 -","8","2","","Nicasio, Antonio I.; Somerville, Rosie J.; Sahagún, Pablo; Soto, Enrique; López-Serrano, Joaquín; Campos, Jesús","Carbon-carbon bond formation and cleavage at redox active bis(pyridylimino)isoindole (BPI) germylene compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3039","3046","10.1039/d4dt03489a","","","0.71073","MoKα","","0.1614","0.1327","","","0.2692","0.2818","","","","","","1.206","","","","has coordinates","297968","2025-03-04","05:26:38",""
"7718247","11.1498","0.0003","29.6775","0.0009","8.7878","0.0002","90","","103.037","0.001","90","","2832.92","0.13","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Ge N6 Si2 -","- C26 H34 Ge N6 Si2 -","- C104 H136 Ge4 N24 Si8 -","4","1","","Nicasio, Antonio I.; Somerville, Rosie J.; Sahagún, Pablo; Soto, Enrique; López-Serrano, Joaquín; Campos, Jesús","Carbon-carbon bond formation and cleavage at redox active bis(pyridylimino)isoindole (BPI) germylene compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3039","3046","10.1039/d4dt03489a","","","0.71073","MoKα","","0.0536","0.0415","","","0.1356","0.1543","","","","","","1.13","","","","has coordinates","297968","2025-03-04","05:26:39",""
"7718248","13.3849","0.0005","8.7408","0.0003","18.0043","0.0006","90","","95.169","0.001","90","","2097.84","0.13","193","2","193","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C48 H48 Ge2 N10 O -","- C48 H48 Ge2 N10 O -","- C96 H96 Ge4 N20 O2 -","2","0.5","","Nicasio, Antonio I.; Somerville, Rosie J.; Sahagún, Pablo; Soto, Enrique; López-Serrano, Joaquín; Campos, Jesús","Carbon-carbon bond formation and cleavage at redox active bis(pyridylimino)isoindole (BPI) germylene compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3039","3046","10.1039/d4dt03489a","","","0.71073","MoKα","","0.0558","0.0408","","","0.0995","0.1092","","","","","","1.036","","","","has coordinates","297968","2025-03-04","05:26:39",""
"7718249","21.1482","0.0017","8.6859","0.0006","22.075","0.002","90","","93.619","0.003","90","","4046.9","0.6","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Ge2 N10 -","- C36 H24 Ge2 N10 -","- C144 H96 Ge8 N40 -","4","0.5","","Nicasio, Antonio I.; Somerville, Rosie J.; Sahagún, Pablo; Soto, Enrique; López-Serrano, Joaquín; Campos, Jesús","Carbon-carbon bond formation and cleavage at redox active bis(pyridylimino)isoindole (BPI) germylene compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3039","3046","10.1039/d4dt03489a","","","0.71073","MoKα","","0.1428","0.1224","","","0.3304","0.344","","","","","","1.084","","","","has coordinates","297968","2025-03-04","05:26:39",""
"7718250","10.6413","0.0011","15.2209","0.0019","20.466","0.002","106.01","0.005","99.137","0.005","95.273","0.005","3113.6","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H72 Ge2 K2 N10 O6 -","- C60 H72 Ge2 K2 N10 O6 -","- C120 H144 Ge4 K4 N20 O12 -","2","1","","Nicasio, Antonio I.; Somerville, Rosie J.; Sahagún, Pablo; Soto, Enrique; López-Serrano, Joaquín; Campos, Jesús","Carbon-carbon bond formation and cleavage at redox active bis(pyridylimino)isoindole (BPI) germylene compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3039","3046","10.1039/d4dt03489a","","","0.71073","MoKα","","0.1579","0.0853","","","0.1787","0.2228","","","","","","1.052","","","","has coordinates","297968","2025-03-04","05:26:39",""
"7718251","14.168","0.0005","16.0363","0.0007","23.4696","0.0009","90","","94.698","0.001","90","","5314.4","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H55 Ge2 K2 N10 O3 -","- C52 H55 Ge2 K2 N10 O3 -","- C208 H220 Ge8 K8 N40 O12 -","4","1","","Nicasio, Antonio I.; Somerville, Rosie J.; Sahagún, Pablo; Soto, Enrique; López-Serrano, Joaquín; Campos, Jesús","Carbon-carbon bond formation and cleavage at redox active bis(pyridylimino)isoindole (BPI) germylene compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3039","3046","10.1039/d4dt03489a","","","0.71073","MoKα","","0.0827","0.0478","","","0.1344","0.1652","","","","","","1.048","","","","has coordinates","297968","2025-03-04","05:26:39",""
"7718252","15.8097","0.0014","16.6796","0.0015","17.6314","0.0015","99.488","0.004","102.293","0.004","109.977","0.004","4124.1","0.7","193","2","193","","","","","","","","","9","P -1","-P 1","2","","","","- C64 H72 Ag2 F12 Ge2 N14 O8 S4 Si4 -","- C64 H72 Ag2 F12 Ge2 N14 O8 S4 Si4 -","- C128 H144 Ag4 F24 Ge4 N28 O16 S8 Si8 -","2","1","","Nicasio, Antonio I.; Somerville, Rosie J.; Sahagún, Pablo; Soto, Enrique; López-Serrano, Joaquín; Campos, Jesús","Carbon-carbon bond formation and cleavage at redox active bis(pyridylimino)isoindole (BPI) germylene compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","3039","3046","10.1039/d4dt03489a","","","0.71073","MoKα","","0.1665","0.0926","","","0.2515","0.3394","","","","","","1.1917","","","","has coordinates","297968","2025-03-04","05:26:39",""
"7718253","9.2516","0.0002","9.8241","0.0002","14.3433","0.0002","72.687","0.001","71.715","0.002","86.117","0.002","1181.26","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H25 O2 P -","- C29 H25 O2 P -","- C58 H50 O4 P2 -","2","1","","Luginin, Maksim; Snetkov, Dmitry; Sizova, Anastasia; Paderina, Aleksandra; Sizov, Vladimir; Grachova, Elena","Cyclometalated Au(III) complexes with alkynylphosphine oxide ligands: synthesis and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2950","2963","10.1039/d4dt03250k","","x-ray","1.54184","CuKα","","0.0348","0.0339","","","0.0877","0.0885","","","","","","1.045","","","","has coordinates","297969","2025-03-04","05:27:44",""
"7718254","8.333","0.0001","11.2128","0.0002","14.2573","0.0001","101.201","0.001","103.065","0.001","110.195","0.001","1162.62","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 Au N O P -","- C31 H21 Au N O P -","- C62 H42 Au2 N2 O2 P2 -","2","1","","Luginin, Maksim; Snetkov, Dmitry; Sizova, Anastasia; Paderina, Aleksandra; Sizov, Vladimir; Grachova, Elena","Cyclometalated Au(III) complexes with alkynylphosphine oxide ligands: synthesis and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2950","2963","10.1039/d4dt03250k","","x-ray","1.54184","CuKα","","0.0266","0.0262","","","0.0659","0.0663","","","","","","1.083","","","","has coordinates","297969","2025-03-04","05:27:44",""
"7718255","22.4494","0.0002","10.0407","0.0001","28.689","0.0003","90","","107.88","0.001","90","","6154.39","0.11","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37.5 H27 Au Cl N O1.5 P -","- C37.5 H27 Au Cl N O1.5 P -","- C300 H216 Au8 Cl8 N8 O12 P8 -","8","1","","Luginin, Maksim; Snetkov, Dmitry; Sizova, Anastasia; Paderina, Aleksandra; Sizov, Vladimir; Grachova, Elena","Cyclometalated Au(III) complexes with alkynylphosphine oxide ligands: synthesis and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2950","2963","10.1039/d4dt03250k","","x-ray","1.54184","CuKα","","0.0263","0.0257","","","0.0655","0.0659","","","","","","1.142","","","","has coordinates","297969","2025-03-04","05:27:44",""
"7718256","9.9982","0.0001","10.973","0.0001","17.4331","0.0002","90","","99.382","0.001","90","","1887.01","0.03","99.9","0.6","99.9","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 O P -","- C24 H17 O P -","- C96 H68 O4 P4 -","4","1","","Luginin, Maksim; Snetkov, Dmitry; Sizova, Anastasia; Paderina, Aleksandra; Sizov, Vladimir; Grachova, Elena","Cyclometalated Au(III) complexes with alkynylphosphine oxide ligands: synthesis and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2950","2963","10.1039/d4dt03250k","","x-ray","1.54184","CuKα","","0.037","0.0359","","","0.0992","0.1002","","","","","","1.088","","","","has coordinates","297969","2025-03-04","05:27:45",""
"7718257","8.2827","0.0001","18.7788","0.0002","22.4908","0.0002","110.455","0.001","90.698","0.001","92.13","0.001","3274.18","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.5 H28 Au Cl N O P -","- C41.5 H28 Au Cl N O P -","- C166 H112 Au4 Cl4 N4 O4 P4 -","4","2","","Luginin, Maksim; Snetkov, Dmitry; Sizova, Anastasia; Paderina, Aleksandra; Sizov, Vladimir; Grachova, Elena","Cyclometalated Au(III) complexes with alkynylphosphine oxide ligands: synthesis and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2950","2963","10.1039/d4dt03250k","","x-ray","1.54184","CuKα","","0.0266","0.0243","","","0.0627","0.064","","","","","","1.058","","","","has coordinates,has disorder","297969","2025-03-04","05:27:45",""
"7718258","14.0966","0.0001","20.6876","0.0002","11.9457","0.0001","90","","96.358","0.001","90","","3462.24","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H29 Au N O P -","- C47 H29 Au N O P -","- C188 H116 Au4 N4 O4 P4 -","4","1","","Luginin, Maksim; Snetkov, Dmitry; Sizova, Anastasia; Paderina, Aleksandra; Sizov, Vladimir; Grachova, Elena","Cyclometalated Au(III) complexes with alkynylphosphine oxide ligands: synthesis and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2950","2963","10.1039/d4dt03250k","","x-ray","1.54184","CuKα","","0.0327","0.0298","","","0.0704","0.0721","","","","","","1.04","","","","has coordinates","297969","2025-03-04","05:27:45",""
"7718259","10.8168","0.0004","11.9335","0.0004","14.7148","0.0005","97.52","0.003","109.673","0.003","103.85","0.003","1689.46","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H32 Au N2 O P -","- C45 H32 Au N2 O P -","- C90 H64 Au2 N4 O2 P2 -","2","1","","Luginin, Maksim; Snetkov, Dmitry; Sizova, Anastasia; Paderina, Aleksandra; Sizov, Vladimir; Grachova, Elena","Cyclometalated Au(III) complexes with alkynylphosphine oxide ligands: synthesis and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2950","2963","10.1039/d4dt03250k","","x-ray","0.71073","MoKα","","0.0197","0.0175","","","0.039","0.0399","","","","","","1.038","","","","has coordinates","297969","2025-03-04","05:27:45",""
"7718260","7.2509","0.0008","10.1658","0.0011","16.9939","0.0018","76.009","0.001","85.771","0.001","72.665","0.001","1160.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 Gd2 N2 Ni O19 -","- C14 H14 Gd2 N2 Ni O19 -","- C28 H28 Gd4 N4 Ni2 O38 -","2","1","","Wang, Qin; Xu, Lingxi; Wang, Jilei; Yu, Yating; Bai, Xu; Jiang, Chutian; Chen, Qiaoling; Xu, Yan","C<sub>2</sub>O<sub>4</sub><sup>2-</sup>-templated [Ln<sub>2</sub>Ni] heterometallic compounds for enhanced magnetocaloric effects at low fields.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2930","2936","10.1039/d4dt03056g","","","0.71073","MoKα","","0.0428","0.036","","","0.1044","0.1088","","","","","","1.034","","","","has coordinates","297970","2025-03-04","05:29:33",""
"7718261","7.276","0.002","10.25","0.003","17.097","0.005","75.925","0.004","85.723","0.003","72.704","0.003","1180.9","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 N2 Ni O19 Sm2 -","- C14 H14 N2 Ni O19 Sm2 -","- C28 H28 N4 Ni2 O38 Sm4 -","2","1","","Wang, Qin; Xu, Lingxi; Wang, Jilei; Yu, Yating; Bai, Xu; Jiang, Chutian; Chen, Qiaoling; Xu, Yan","C<sub>2</sub>O<sub>4</sub><sup>2-</sup>-templated [Ln<sub>2</sub>Ni] heterometallic compounds for enhanced magnetocaloric effects at low fields.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2930","2936","10.1039/d4dt03056g","","","0.71073","MoKα","","0.0366","0.0292","","","0.0727","0.0777","","","","","","1.082","","","","has coordinates","297970","2025-03-04","05:29:36",""
"7718262","7.244","0.003","10.163","0.004","16.965","0.007","76.153","0.004","85.753","0.005","72.761","0.005","1158.2","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 N2 Ni O19 Tb2 -","- C14 H14 N2 Ni O19 Tb2 -","- C28 H28 N4 Ni2 O38 Tb4 -","2","1","","Wang, Qin; Xu, Lingxi; Wang, Jilei; Yu, Yating; Bai, Xu; Jiang, Chutian; Chen, Qiaoling; Xu, Yan","C<sub>2</sub>O<sub>4</sub><sup>2-</sup>-templated [Ln<sub>2</sub>Ni] heterometallic compounds for enhanced magnetocaloric effects at low fields.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2930","2936","10.1039/d4dt03056g","","","0.71073","MoKα","","0.0435","0.0349","","","0.0809","0.0845","","","","","","1.066","","","","has coordinates","297970","2025-03-04","05:29:36",""
"7718263","6.5423","0.0004","7.0698","0.0005","17.3926","0.001","90","","90","","90","","804.46","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(AgCl)(2-pica)]n","","- C6 H8 Ag Cl N2 -","- C6 H8 Ag Cl N2 -","- C24 H32 Ag4 Cl4 N8 -","4","1","","Zuffa, Caterina; Veclani, Daniele; Marchini, Marianna; Monti, Filippo; Cappuccino, Chiara; Maini, Lucia; Ventura, Barbara","Rationalization of the structural, electronic and photophysical properties of silver(I) halide <i>n</i>-picolylamine hybrid coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2799","2811","10.1039/d4dt03003f","","","0.71073","MoKα","","0.061","0.0427","","","0.0608","0.0673","","","","","","0.999","","","","has coordinates","297971","2025-03-04","05:30:28",""
"7718264","13.2106","0.0004","7.04","0.0003","19.2703","0.0005","90","","90","","90","","1792.19","0.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[Ag(H4-pica)Cl2]n","","- C6 H9 Ag Cl2 N2 -","- C6 H9 Ag Cl2 N2 -","- C48 H72 Ag8 Cl16 N16 -","8","1","","Zuffa, Caterina; Veclani, Daniele; Marchini, Marianna; Monti, Filippo; Cappuccino, Chiara; Maini, Lucia; Ventura, Barbara","Rationalization of the structural, electronic and photophysical properties of silver(I) halide <i>n</i>-picolylamine hybrid coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2799","2811","10.1039/d4dt03003f","","x-ray","0.71073","MoKα","","0.0529","0.0431","","","0.0798","0.0833","","","","","","1.147","","","","has coordinates","297971","2025-03-04","05:30:29",""
"7718265","6.185932","","7.247621","","17.400603","","90","","82.0479","","90","","772.625","","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(AgCl)(4-pica)]n","","- C6 H8 Ag Cl N2 -","- C6 H8 Ag Cl N2 -","- C24 H32 Ag4 Cl4 N8 -","4","1","","Zuffa, Caterina; Veclani, Daniele; Marchini, Marianna; Monti, Filippo; Cappuccino, Chiara; Maini, Lucia; Ventura, Barbara","Rationalization of the structural, electronic and photophysical properties of silver(I) halide <i>n</i>-picolylamine hybrid coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2799","2811","10.1039/d4dt03003f","powder diffraction","x-ray","1.535","CuKα","","","","","","","","","0.0114","1.77098","","","","","","","has coordinates","297971","2025-03-04","05:30:29",""
"7718266","9.2824","0.0005","6.0256","0.0003","7.3134","0.0006","90","","108.918","0.008","90","","386.96","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(AgCl)(3-pica)]n","","- C6 H8 Ag Cl N2 -","- C6 H8 Ag Cl N2 -","- C12 H16 Ag2 Cl2 N4 -","2","1","","Zuffa, Caterina; Veclani, Daniele; Marchini, Marianna; Monti, Filippo; Cappuccino, Chiara; Maini, Lucia; Ventura, Barbara","Rationalization of the structural, electronic and photophysical properties of silver(I) halide <i>n</i>-picolylamine hybrid coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2799","2811","10.1039/d4dt03003f","","x-ray","0.71073","MoKα","","0.0587","0.047","","","0.0728","0.0767","","","","","","1.03","","","","has coordinates","297971","2025-03-04","05:30:30",""
"7718267","28.426","0.012","11.954","0.005","18.491","0.008","90","","90","","90","","6283","5","150","2","150.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C49 H57 Bi2 Br12 N3 O -","- C49 H57 Bi2 Br12 N3 O -","- C196 H228 Bi8 Br48 N12 O4 -","4","1","","Meena, Namonarayan; Sahoo, Supriya; Deka, Nilotpal; Gadagin, Vinayak B.; Zaręba, Jan K; Boomishankar, Ramamoorthy","Ferroelectricity and piezoelectric energy harvesting of an A<sub>3</sub>M<sub>2</sub>X<sub>9</sub>-type 0D bromobismuthate hybrid with a bulky organic quaternary amine.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2985","2990","10.1039/d4dt03225j","","","0.71073","MoKα","","0.1038","0.0622","","","0.1091","0.1238","","","","","","1.1","","","","has coordinates,has disorder","297972","2025-03-04","05:31:23",""
"7718268","28.88","0.007","12.092","0.003","18.54","0.004","90","","90","","90","","6474","3","298.15","","298.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C49 H57 Bi2 Br12 N3 O -","- C49 H57 Bi2 Br12 N3 O -","- C196 H228 Bi8 Br48 N12 O4 -","4","1","","Meena, Namonarayan; Sahoo, Supriya; Deka, Nilotpal; Gadagin, Vinayak B.; Zaręba, Jan K; Boomishankar, Ramamoorthy","Ferroelectricity and piezoelectric energy harvesting of an A<sub>3</sub>M<sub>2</sub>X<sub>9</sub>-type 0D bromobismuthate hybrid with a bulky organic quaternary amine.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2985","2990","10.1039/d4dt03225j","","","0.71073","MoKα","","0.1034","0.0596","","","0.0996","0.1179","","","","","","1.192","","","","has coordinates,has disorder","297972","2025-03-04","05:31:26",""
"7718269","4.74751","0.00006","5.71335","0.00007","4.96847","0.00005","90","","90.15","0.01","90","","134.765","0.003","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Fe0.8 Mn0.2 O4 W -","- Fe0.8 Mn0.1999 O4 W -","- Fe1.6 Mn0.3998 O8 W2 -","2","0.5","","Skachko, Dmytro; Kundys, Bohdan; Levytskyi, Volodymyr; Zuñiga-Puelles, Esteban; Leithe-Jasper, Andreas; Gumeniuk, Roman","Magnetism and electrical and thermal transport in the natural Fe<sub>1-<i>x</i></sub>Mn<sub><i>x</i></sub>WO<sub>4</sub> (<i>x</i> = 0.2) mineral from Potosí, Bolivia.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8133","8141","10.1039/d5dt00332f","","","0.71073","MoKα","","0.014","0.014","","0.0152","","0.0152","","","","","","","","","","has coordinates","300860","2025-07-06","16:18:26",""
"7718270","6.9613","0.0005","14.6439","0.0009","20.1221","0.0015","90","","90","","90","","2051.3","0.2","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Ca0.44 Ga1.33 Na0.44 S2.67 -","- Ca0.444444 Ga1.33333 Na0.444444 S2.66667 -","- Ca8 Ga24 Na8 S48 -","18","2.25","","Chen, Jiale; Zhou, Haipeng; Sha, Huimin; Liu, Jinfeng; Zhu, Xiu; Xu, Guisheng; Wang, Jiankang","NaCaGa<sub>3</sub>S<sub>6</sub>: a mixed alkali metal and alkaline earth metal sulfide with a distinctive [Ga<sub>5</sub>S<sub>10</sub>]<sub>∞</sub> layered framework.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5526","5531","10.1039/d5dt00054h","","","0.71073","MoKα","","0.0278","0.0212","","","0.0387","0.0468","","","","","","1.142","","","","has coordinates","300879","2025-07-06","16:26:23",""
"7718271","13.314","0.0004","23.7299","0.0007","14.1869","0.0005","90","","106.379","0.003","90","","4300.3","0.2","297","1","297","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H78 Br2 Cl6 O14 P2 Te4 -","- C76 H78 Br2 Cl6 O14 P2 Te4 -","- C152 H156 Br4 Cl12 O28 P4 Te8 -","2","0.5","","Samuel, Calvin; Pramod, Velpula; V S, Swandhana; Steiner, Alexander; Baskar, Viswanathan","Functionalized organotellurium macrocycles: tuning their optical bandgap and investigation of their catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5747","5752","10.1039/d4dt03388d","","","0.71073","MoKα","","0.0768","0.0545","","","0.1312","0.1432","","","","","","1.014","","","","has coordinates,has disorder","300895","2025-07-06","16:31:39",""
"7718272","15.068","0.0003","17.3015","0.0006","19.5456","0.0005","78.761","0.002","81.495","0.002","85.877","0.002","4938","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H76 I2 O14 P2 Te4 -","- C74 H76 I2 O14 P2 Te4 -","- C148 H152 I4 O28 P4 Te8 -","2","1","","Samuel, Calvin; Pramod, Velpula; V S, Swandhana; Steiner, Alexander; Baskar, Viswanathan","Functionalized organotellurium macrocycles: tuning their optical bandgap and investigation of their catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5747","5752","10.1039/d4dt03388d","","","0.71073","MoKα","","0.1155","0.0549","","","0.1411","0.1716","","","","","","0.98","","","","has coordinates,has disorder","300895","2025-07-06","16:31:40",""
"7718273","12.524","0.004","5.5342","0.0015","15.001","0.004","90","","102.878","0.004","90","","1013.6","0.5","298","2","298","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C4 H12 B F4 Na5 O12 S4 -","- C4 H12 B F4 Na5 O12 S4 -","- C8 H24 B2 F8 Na10 O24 S8 -","2","0.5","","Gabilondo, Eric A.; Halasyamani, P. Shiv","Synthesis and large crystal growth of a family of mixed-anionic methanesulfonate salts by anionic site-substitution: Na<sub>5</sub>(SO<sub>3</sub>CH<sub>3</sub>)<sub>4</sub>(X) (X = BF<sub>4</sub><sup>-</sup>, ClO<sub>4</sub><sup>-</sup>, PF<sub>6</sub><sup>-</sup>, I<sup>-</sup>).","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5301","5310","10.1039/d5dt00223k","","","0.71073","MoKα","","0.0358","0.0288","","","0.0776","0.0819","","","","","","1.05","","","","has coordinates,has disorder","300880","2025-07-06","16:27:04",""
"7718274","12.903","0.0003","5.5449","0.0001","15.1892","0.0006","90","","103.946","0.002","90","","1054.69","0.05","298","2","298","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","Sodium Methanesulfonate Hexafluorophosphate","","","- C4 H12 F6 Na5 O12 P S4 -","- C4 H12 F6 Na5 O12 P S4 -","- C8 H24 F12 Na10 O24 P2 S8 -","2","0.25","","Gabilondo, Eric A.; Halasyamani, P. Shiv","Synthesis and large crystal growth of a family of mixed-anionic methanesulfonate salts by anionic site-substitution: Na<sub>5</sub>(SO<sub>3</sub>CH<sub>3</sub>)<sub>4</sub>(X) (X = BF<sub>4</sub><sup>-</sup>, ClO<sub>4</sub><sup>-</sup>, PF<sub>6</sub><sup>-</sup>, I<sup>-</sup>).","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5301","5310","10.1039/d5dt00223k","","","0.71073","MoKα","","0.0407","0.0311","","","0.071","0.076","","","","","","1.049","","","","has coordinates,has disorder","300880","2025-07-06","16:27:04",""
"7718275","12.4118","0.0004","5.5158","0.0002","14.9258","0.0005","90","","102.489","0.002","90","","997.66","0.06","296.15","","296.15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","Sodium Methanesulfonate Iodide","","","- C4 H12 I Na5 O12 S4 -","- C4 H12 I Na5 O12 S4 -","- C8 H24 I2 Na10 O24 S8 -","2","0.5","","Gabilondo, Eric A.; Halasyamani, P. Shiv","Synthesis and large crystal growth of a family of mixed-anionic methanesulfonate salts by anionic site-substitution: Na<sub>5</sub>(SO<sub>3</sub>CH<sub>3</sub>)<sub>4</sub>(X) (X = BF<sub>4</sub><sup>-</sup>, ClO<sub>4</sub><sup>-</sup>, PF<sub>6</sub><sup>-</sup>, I<sup>-</sup>).","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5301","5310","10.1039/d5dt00223k","","","0.71073","MoKα","","0.0575","0.0293","","","0.0604","0.0716","","","","","","1.009","","","","has coordinates","300880","2025-07-06","16:27:04",""
"7718276","12.6653","0.0007","5.54","0.0003","15.0037","0.0009","90","","103.263","0.003","90","","1024.67","0.1","298.15","","298.19","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","Sodium Methanesulfonate Perchlorate","","","- C4 H12 Cl Na5 O16 S4 -","- C4 H12 Cl Na5 O16 S4 -","- C8 H24 Cl2 Na10 O32 S8 -","2","0.5","","Gabilondo, Eric A.; Halasyamani, P. Shiv","Synthesis and large crystal growth of a family of mixed-anionic methanesulfonate salts by anionic site-substitution: Na<sub>5</sub>(SO<sub>3</sub>CH<sub>3</sub>)<sub>4</sub>(X) (X = BF<sub>4</sub><sup>-</sup>, ClO<sub>4</sub><sup>-</sup>, PF<sub>6</sub><sup>-</sup>, I<sup>-</sup>).","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5301","5310","10.1039/d5dt00223k","","","0.71073","MoKα","","0.0292","0.0269","","","0.0781","0.0813","","","","","","1.049","","","","has coordinates,has disorder","300880","2025-07-06","16:27:04",""
"7718277","43.1068","0.0013","21.1124","0.0005","29.4778","0.0009","90","","129.292","0.002","90","","20762.5","1.2","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C412 H424 F36 N4 O58 P8 Yb4 -","- C412 H424 F36 N4 O58 P8 Yb4 -","- C824 H848 F72 N8 O116 P16 Yb8 -","2","0.5","","Yao, Zhiwei; Gao, Ting; Yan, Pengfei; Zhou, Yanyan; Li, Hongfeng","Strong upconverted circularly polarized emission from a chiral tetrahedral Yb/Eu cage.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5731","5738","10.1039/d5dt00219b","","x-ray","0.71073","MoKα","","0.0381","0.0308","","","0.0754","0.0793","","","","","","1.045","","","","has coordinates,has disorder","300900","2025-07-06","16:34:25",""
"7718278","16.22","0.003","4.68","0.0009","18.1","0.004","90","","94.2","0.03","90","","1370.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1","","- C16 H15 N5 -","- C16 H15 N5 -","- C64 H60 N20 -","4","1","","Sarma, Kavisha A.; Middleton, Isis A.; Chak, Man Him; Violi, Jake P.; Bhadbhade, Mohan; Donald, William A.; Beves, Jonathon E.","Ruthenium(II) complexes with photoswitchable and photoejectable ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4871","4875","10.1039/d5dt00320b","","","0.71073","Synchrotron","","0.0802","0.0631","","","0.2003","0.2294","","","","","","1.105","","","","has coordinates","300988","2025-07-06","17:14:09",""
"7718279","10.6119","0.0005","10.6119","0.0005","16.8356","0.0008","90","","90","","120","","1641.9","0.13","120.15","","120.15","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H24 F12 N6 P2 Ru -","- C30 H24 F12 N6 P2 Ru -","- C60 H48 F24 N12 P4 Ru2 -","2","0.166667","","Sarma, Kavisha A.; Middleton, Isis A.; Chak, Man Him; Violi, Jake P.; Bhadbhade, Mohan; Donald, William A.; Beves, Jonathon E.","Ruthenium(II) complexes with photoswitchable and photoejectable ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4871","4875","10.1039/d5dt00320b","","","0.71073","MoKα","","0.0886","0.0725","","","0.1857","0.2146","","","","","","1.041","","","","has coordinates","300988","2025-07-06","17:14:09",""
"7718280","12.8968","0.0007","12.694","0.0006","12.9165","0.0007","90","","91.706","0.002","90","","2113.65","0.19","101","","101","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H42 F12 N9 O P2 Ru -","- C36 H32 F12 N9 P2 Ru -","- C72 H64 F24 N18 P4 Ru2 -","2","1","","Sarma, Kavisha A.; Middleton, Isis A.; Chak, Man Him; Violi, Jake P.; Bhadbhade, Mohan; Donald, William A.; Beves, Jonathon E.","Ruthenium(II) complexes with photoswitchable and photoejectable ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4871","4875","10.1039/d5dt00320b","","","0.71073","MoKα","","0.0824","0.0596","","","0.1423","0.1702","","","","","","1.146","","","","has coordinates","300988","2025-07-06","17:14:09",""
"7718281","11.5121","0.001","13.1871","0.0011","23.781","0.002","90","","94.644","0.002","90","","3598.4","0.5","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Ag4 Mo12 N20 O40 P -","- C40 H36 Ag4 Mo12 N20 O40 P -","- C80 H72 Ag8 Mo24 N40 O80 P2 -","2","0.5","","Sun, Zhe; Yu, Xiaojing; Zhen, Qingfang; Yu, Tingting; Wang, Xinming; Yang, Guixin; Song, Yongbin; Pang, Haijun","Synthesis of two new polyoxometalate-based organic complexes from 2D to 3D structures for improving supercapacitor performance.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6093","6102","10.1039/d5dt00284b","","","0.71073","MoKα","","0.0916","0.0531","","","0.1283","0.1406","","","","","","1.196","","","","has coordinates","300911","2025-07-06","16:38:17",""
"7718282","17.1296","0.0012","22.8733","0.0017","20.1601","0.0014","90","","109.806","0.001","90","","7431.7","0.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 Ag4 Mo12 N16 O40 P -","- C48 H40 Ag4 Mo12 N16 O40 P -","- C192 H160 Ag16 Mo48 N64 O160 P4 -","4","0.5","","Sun, Zhe; Yu, Xiaojing; Zhen, Qingfang; Yu, Tingting; Wang, Xinming; Yang, Guixin; Song, Yongbin; Pang, Haijun","Synthesis of two new polyoxometalate-based organic complexes from 2D to 3D structures for improving supercapacitor performance.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6093","6102","10.1039/d5dt00284b","","","0.71073","MoKα","","0.0664","0.0492","","","0.1214","0.133","","","","","","1.008","","","","has coordinates","300911","2025-07-06","16:38:26",""
"7718283","28.1762","0.0006","28.1762","0.0006","39.8472","0.0008","90","","90","","90","","31634.6","1.1","297","2","297","2","","","","","","","","5","I 41","I 4bw","80","","","","- C292 H188 N4 O113 Y16 -","- C292 H188 N4 O113 Y16 -","- C1168 H752 N16 O452 Y64 -","4","0.5","","Dazem, Cyrielle L. F.; Ruser, Niklas; Svensson Grape, Erik; Inge, A. Ken; Proserpio, Davide M.; Stock, Norbert; Öhrström, Lars","How metal ions link in metal-organic frameworks: dots, rods, sheets, and 3D secondary building units exemplified by a Y(III) 4,4'-oxydibenzoate.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5659","5663","10.1039/d5dt00271k","","","1.54178","CuKα","","0.09","0.0554","","","0.1067","0.1214","","","","","","0.986","","","","has coordinates","300898","2025-07-06","16:32:52",""
"7718284","9.2291","0.0001","9.2291","0.0001","27.9955","0.0005","90","","90","","90","","2384.55","0.06","272.84","0.19","272.84","0.19","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H28 Br4 Mn P2 -","- C12 H28 Br4 Mn P2 -","- C48 H112 Br16 Mn4 P8 -","4","0.5","","Chen, Leqi; Zhou, Zining; Yang, Yawen; Ye, Qiong","Tuning phase transition and fluorescence quenching in 0D organic-inorganic hybrid materials by precise organic cation modification.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5560","5567","10.1039/d5dt00057b","","x-ray","1.54178","CuKα","","0.0496","0.0453","","","0.1338","0.1362","","","","","","1.103","","","","has coordinates,has disorder","300885","2025-07-06","16:28:51",""
"7718285","19.0177","0.0004","19.1067","0.0004","26.7409","0.0007","90","","90","","90","","9716.7","0.4","275","5","275","5","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H32 Br4 Mn P2 -","- C12 H32 Br4 Mn P2 -","- C192 H512 Br64 Mn16 P32 -","16","1","","Chen, Leqi; Zhou, Zining; Yang, Yawen; Ye, Qiong","Tuning phase transition and fluorescence quenching in 0D organic-inorganic hybrid materials by precise organic cation modification.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5560","5567","10.1039/d5dt00057b","","x-ray","1.54178","CuKα","","0.0756","0.0598","","","0.1576","0.17","","","","","","1.04","","","","has coordinates,has disorder","300885","2025-07-06","16:28:52",""
"7718286","18.5525","0.0003","14.0694","0.0002","18.3426","0.0002","90","","117.916","0.002","90","","4230.7","0.13","100","0.17","100","0.17","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H28 Br4 Mn P2 -","- C10 H28 Br4 Mn P2 -","- C80 H224 Br32 Mn8 P16 -","8","2","","Chen, Leqi; Zhou, Zining; Yang, Yawen; Ye, Qiong","Tuning phase transition and fluorescence quenching in 0D organic-inorganic hybrid materials by precise organic cation modification.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5560","5567","10.1039/d5dt00057b","","x-ray","1.54178","CuKα","","0.0483","0.0432","","","0.1064","0.1087","","","","","","1.085","","","","has coordinates,has disorder","300885","2025-07-06","16:28:52",""
"7718287","13.271","0.003","13.139","0.003","9.619","0.002","90","","99.91","0.007","90","","1652.2","0.6","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Fe N12 O6 S2 -","- C28 H30 Fe N12 O6 S2 -","- C56 H60 Fe2 N24 O12 S4 -","2","0.5","","Cuza, Emmelyne; Delsuc, Nicolas; Marrot, Jerôme; Shepard, William; Policar, Clotilde; Serre, Christian; Tissot, Antoine","Angle-dependent spin crossover properties in polymorphic iron(II) complexes based on pyridine-triazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6274","6280","10.1039/d4dt03376k","","","0.71073","MoKα","","0.1309","0.0937","","","0.1663","0.1804","","","","","","1.162","","","","has coordinates,has disorder","300920","2025-07-06","16:42:24",""
"7718288","13.5277","0.0008","14.621","0.0007","9.213","0.0006","90","","103.732","0.005","90","","1770.14","0.18","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ec103-b2-200K","","- C28 H30 Fe N12 O6 S2 -","- C28 H30 Fe N12 O6 S2 -","- C56 H60 Fe2 N24 O12 S4 -","2","0.5","","Cuza, Emmelyne; Delsuc, Nicolas; Marrot, Jerôme; Shepard, William; Policar, Clotilde; Serre, Christian; Tissot, Antoine","Angle-dependent spin crossover properties in polymorphic iron(II) complexes based on pyridine-triazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6274","6280","10.1039/d4dt03376k","","x-ray","0.72932","synchrotron","","0.0996","0.074","","","0.1891","0.2036","","","","","","0.862","","","","has coordinates","300920","2025-07-06","16:42:24",""
"7718289","13.499","0.0004","14.2794","0.0006","9.1679","0.0003","90","","103.635","0.003","90","","1717.38","0.11","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ec103-b1-110k","","- C28 H30 Fe N12 O6 S2 -","- C28 H30 Fe N12 O6 S2 -","- C56 H60 Fe2 N24 O12 S4 -","2","0.5","","Cuza, Emmelyne; Delsuc, Nicolas; Marrot, Jerôme; Shepard, William; Policar, Clotilde; Serre, Christian; Tissot, Antoine","Angle-dependent spin crossover properties in polymorphic iron(II) complexes based on pyridine-triazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6274","6280","10.1039/d4dt03376k","","x-ray","0.72932","synchrotron","","0.0878","0.0714","","","0.2143","0.2356","","","","","","1.015","","","","has coordinates","300920","2025-07-06","16:42:24",""
"7718290","11.064","0.0002","17.7683","0.0004","19.6561","0.0004","94.5","0.002","103.729","0.002","106.134","0.002","3562.48","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","{[(CH3CH2)2NH2]2[Tb2(TTDI)2(H2O)1.7(HCOOH)0.3].DEF.3H2O}n","","- C57.3 H61 N3 O22.3 S4 Tb2 -","- C44.3 H20 O18.3 S4 Tb2 -","- C88.6 H40 O36.6 S8 Tb4 -","2","1","","Xiong, Tian-Zheng; Wang, Miao-Miao; Ren, Tai-Lin; Hu, Jun-Jie; Cao, Chen; Wen, He-Rui","A multifunctional material of a terbium-based metal-organic framework showing fluorescence detection of Hg<sup>2+</sup> and proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6188","6194","10.1039/d4dt03385j","","","0.71073","MoKα","","0.0411","0.0364","","","0.0915","0.0937","","","","","","1.045","","","","has coordinates,has disorder","300923","2025-07-06","16:43:51",""
"7718291","26.746","0.016","26.746","0.016","20.833","0.012","90","","90","","120","","12906","13","296","2","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H16 Co N4 O6 -","- C27 H16 Co N4 O6 -","- C486 H288 Co18 N72 O108 -","18","1","","Wang, Dongsheng; He, Tingyu; Fan, Mingyue; Li, Tuotuo; Qi, Haina; Lin, Zihan; Hu, Xiaoli; Su, Zhongmin","The chitosan confined pyrolysis strategy enhances the catalytic performance of a carbon material based on a novel carboxyl functionalized MOF.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5250","5254","10.1039/d5dt00074b","","x-ray","0.71073","MoKα","","0.0413","0.0307","","","0.0767","0.0816","","","","","","1.045","","","","has coordinates","300877","2025-07-06","16:25:45",""
"7718292","10.894","0.003","15.115","0.004","24.808","0.007","90","","90","","90","","4085","1.9","120","","120","","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C36 H32 Cl4 F12 Ru2 -","- C36 H32 Cl4 F12 Ru2 -","- C144 H128 Cl16 F48 Ru8 -","4","0.5","","Boym, Mikhail A.; Pototskiy, Roman A.; Podyacheva, Evgeniya S.; Muratov, Dmitry V.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Planar chiral arene ruthenium complexes derived from <i>R</i>-carvone.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5655","5658","10.1039/d5dt00344j","","","0.71073","MoKα","","0.1368","0.0699","","","0.1295","0.1509","","","","","","1.064","","","","has coordinates,has disorder","300894","2025-07-06","16:31:24",""
"7718293","12.4402","0.0008","40.906","0.002","10.2419","0.0005","90","","93.779","0.002","90","","5200.6","0.5","242.3","","242.3","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H27 Cl2 F15 N6 Ni -","- C64 H27 Cl2 F15 N6 Ni -","- C256 H108 Cl8 F60 N24 Ni4 -","4","1","","Wu, Jinrong; Lv, Xiaojuan; Xue, Zhaoli; Wang, Yue; Qiu, Fengxian; Xue, Songlin","Metal ions control configuration and <sup>1</sup>O<sub>2</sub> generation capacity of hexaphyrin(2.1.2.1.2.1) with embedded benzene.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5255","5258","10.1039/d5dt00036j","","x-ray","0.71073","MoKα","","0.1324","0.0846","","","0.212","0.2455","","","","","","1.035","","","","has coordinates","300874","2025-07-06","16:24:54",""
"7718294","19.17","0.002","28.916","0.003","23.167","0.002","90","","112.689","0.005","90","","11848","2","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H24 Cl F15 N6 Pd2 -","- C63 H24 Cl F15 N6 Pd2 -","- C504 H192 Cl8 F120 N48 Pd16 -","8","2","","Wu, Jinrong; Lv, Xiaojuan; Xue, Zhaoli; Wang, Yue; Qiu, Fengxian; Xue, Songlin","Metal ions control configuration and <sup>1</sup>O<sub>2</sub> generation capacity of hexaphyrin(2.1.2.1.2.1) with embedded benzene.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5255","5258","10.1039/d5dt00036j","","x-ray","1.34139","GaKα","","0.1771","0.0802","","","0.2034","0.2565","","","","","","0.996","","","","has coordinates","300874","2025-07-06","16:24:55",""
"7718295","12.1021","0.0017","11.6583","0.0016","13.935","0.002","90","","99.375","0.002","90","","1939.8","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Briq","(E)-2,4-di-tert-butyl-6-((2,6-dibromophenyl)imino)cyclohexa-2,4-dien-1-one","","- C20 H23 Br2 N O -","- C20 H23 Br2 N O -","- C80 H92 Br8 N4 O4 -","4","1","","Nugraha, Kahargyan; Do, Thomas H.; Brown, Seth N.","Bis(iminoxolene)iridium complexes over four oxidation states: from sodium-iridium bonding to ligand-centered radicals.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5896","5905","10.1039/d5dt00244c","","","0.71073","MoKα","","0.0251","0.021","","","0.0524","0.0542","","","","","","1.041","","","","has coordinates","300901","2025-07-06","16:35:07",""
"7718296","10.2904","0.0014","11.1541","0.0015","11.6974","0.0016","65.495","0.002","67.09","0.002","80.666","0.002","1125.3","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","(Briq)2IrCl2 . CH3OH","Bis(N-(2,6-dibromo)-4,6-di-tert-butyl-iminoxolene)dichloroiridium methanol solvate","","- C41 H50 Br4 Cl2 Ir N2 O3 -","- C41 H50 Br4 Cl2 Ir N2 O3 -","- C41 H50 Br4 Cl2 Ir N2 O3 -","1","0.5","","Nugraha, Kahargyan; Do, Thomas H.; Brown, Seth N.","Bis(iminoxolene)iridium complexes over four oxidation states: from sodium-iridium bonding to ligand-centered radicals.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5896","5905","10.1039/d5dt00244c","","","0.71073","MoKα","","0.018","0.0167","","","0.0407","0.0414","","","","","","1.037","","","","has coordinates,has disorder","300901","2025-07-06","16:35:10",""
"7718297","10.202","0.002","15.082","0.003","29.489","0.006","90","","90","","90","","4537.4","1.6","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","(Briq)2IrI . C3H6O","Bis(N-(2,6-dibromo)-4,6-di-tert-butyl-iminoxolene)iodoiridium acetone solvate","","- C43 H52 Br4 I Ir N2 O3 -","- C43 H52 Br4 I Ir N2 O3 -","- C172 H208 Br16 I4 Ir4 N8 O12 -","4","1","","Nugraha, Kahargyan; Do, Thomas H.; Brown, Seth N.","Bis(iminoxolene)iridium complexes over four oxidation states: from sodium-iridium bonding to ligand-centered radicals.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5896","5905","10.1039/d5dt00244c","","","0.71073","MoKα","","0.0423","0.0375","","","0.0971","0.0991","","","","","","1.058","","","","has coordinates","300901","2025-07-06","16:35:10",""
"7718298","29.828","0.0013","18.3608","0.0013","19.4665","0.001","90","","114.354","0.002","90","","9712.5","1","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(Briq)2IrNa(THF)2","","","- C48 H62 Br4 Ir N2 Na O4 -","- C48 H62 Br4 Ir N2 Na O4 -","- C384 H496 Br32 Ir8 N16 Na8 O32 -","8","1","","Nugraha, Kahargyan; Do, Thomas H.; Brown, Seth N.","Bis(iminoxolene)iridium complexes over four oxidation states: from sodium-iridium bonding to ligand-centered radicals.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5896","5905","10.1039/d5dt00244c","","x-ray","1.54178","CuKα","","0.0176","0.0169","","","0.0422","0.0424","","","","","","1.119","","","","has coordinates","300901","2025-07-06","16:35:10",""
"7718299","15.6386","0.0004","10.6069","0.0003","14.7633","0.0004","90","","101.789","0.0009","90","","2397.24","0.11","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(Briq)2Ir . 2 CHCl3","Bis(N-(2,6-dibromophenyl)-4,6-di-tert-butyliminoxolene)-iridium di-chloroform solvate","","- C42 H48 Br4 Cl6 Ir N2 O2 -","- C42 H48 Br4 Cl6 Ir N2 O2 -","- C84 H96 Br8 Cl12 Ir2 N4 O4 -","2","0.5","","Nugraha, Kahargyan; Do, Thomas H.; Brown, Seth N.","Bis(iminoxolene)iridium complexes over four oxidation states: from sodium-iridium bonding to ligand-centered radicals.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5896","5905","10.1039/d5dt00244c","","","0.71073","MoKα","","0.0279","0.0214","","","0.0439","0.0459","","","","","","1.054","","","","has coordinates","300901","2025-07-06","16:35:10",""
"7718300","14.4389","0.0012","10.055","0.0008","29.257","0.002","90","","101.06","0.002","90","","4168.7","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Briq)2IrMe","(methyl)bis(N-(2,6-dibromophenyl)-4,6-di-tert-butyl-iminoxolene)iridium","","- C41 H49 Br4 Ir N2 O2 -","- C41 H49 Br4 Ir N2 O2 -","- C164 H196 Br16 Ir4 N8 O8 -","4","1","","Nugraha, Kahargyan; Do, Thomas H.; Brown, Seth N.","Bis(iminoxolene)iridium complexes over four oxidation states: from sodium-iridium bonding to ligand-centered radicals.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5896","5905","10.1039/d5dt00244c","","","0.71073","MoKα","","0.0398","0.0288","","","0.0587","0.0617","","","","","","1.095","","","","has coordinates","300901","2025-07-06","16:35:10",""
"7718301","13.7924","0.0005","19.3444","0.0006","22.2366","0.0008","90","","104.27","0.001","90","","5749.8","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[CoCp2][(Briq)2Ir] . 2 C6H6","Cobaltocenium bis(N-(2,6-dibromophenyl)-4,6-di-tert-butyl-iminoxolene)iridate dibenzene solvate","","- C62 H68 Br4 Co Ir N2 O2 -","- C62 H68 Br4 Co Ir N2 O2 -","- C248 H272 Br16 Co4 Ir4 N8 O8 -","4","1","","Nugraha, Kahargyan; Do, Thomas H.; Brown, Seth N.","Bis(iminoxolene)iridium complexes over four oxidation states: from sodium-iridium bonding to ligand-centered radicals.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5896","5905","10.1039/d5dt00244c","","x-ray","0.71073","MoKα","","0.0501","0.0317","","","0.0575","0.0631","","","","","","1.013","","","","has coordinates","300901","2025-07-06","16:35:10",""
"7718302","11.2805","0.0004","18.1249","0.0007","8.8655","0.0003","90","","90","","90","","1812.62","0.11","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","[1,4-Di(tert-butyl)-1,4-diazabut-2-ene-1,4-diyl](1,4-diethyltetraaz-2-ene-1,4-diyl)silane","6,9-Di-tert-butyl-1,4-diethyl-1,2,3,4,6,9-hexaaza-5-silaspiro[4.4]nona-2,7-diene","","- C14 H30 N6 Si -","- C14 H30 N6 Si -","- C56 H120 N24 Si4 -","4","1","","Flores, Vincent J.; Girolami, Gregory S.","Synthesis, characterization, and thermal properties of volatile 1,4-dialkyl-5-silatetrazolines: nitrogen-rich silicon heterocycles as possible CVD precursors for silicon nitride.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9399","9404","10.1039/d4dt03473b","","","0.71073","MoKα","","0.0323","0.0303","","","0.0776","0.0792","","","","","","1.062","","","","has coordinates","300950","2025-07-06","16:55:18",""
"7718303","13.8746","0.0007","11.8697","0.0007","13.0995","0.0007","90","","90","","90","","2157.3","0.2","100","","100","","","","","","","","","4","C m c m","-C 2c 2","63","1,4-Di(tert-butyl)-1,4-diazabut-2-ene-1,4-diyl][1,4-di(iso-propyl)tetraaz-2-ene-1,4-diyl]silane","6,9-Di-tert-butyl-1,4-di(iso-propyl)-1,2,3,4,6,9-hexaaza-5-silaspiro[4.4]nona-2,7-diene","","- C18 H38 N6 Si -","- C18 H38 N6 Si -","- C72 H152 N24 Si4 -","4","0.25","","Flores, Vincent J.; Girolami, Gregory S.","Synthesis, characterization, and thermal properties of volatile 1,4-dialkyl-5-silatetrazolines: nitrogen-rich silicon heterocycles as possible CVD precursors for silicon nitride.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9399","9404","10.1039/d4dt03473b","","","0.71073","MoKα","","0.036","0.0327","","","0.0849","0.0874","","","","","","1.047","","","","has coordinates,has disorder","300950","2025-07-06","16:55:18",""
"7718304","8.9917","0.0004","10.0564","0.0004","11.0337","0.0004","93.0697","0.0015","97.2334","0.0017","90.9204","0.0016","988.09","0.07","100","2","100","","","","","","","","","4","P 1","P 1","1","1,4-Di(tert-butyl)-1,4-diazabut-2-ene-1,4-diyl][1,4-di(iso-propyl)tetraaz-2-ene-1,4-diyl]silane","6,9-Di-tert-butyl-1,4-di(iso-propyl)-1,2,3,4,6,9-hexaaza-5-silaspiro[4.4]nona-2,7-diene","","- C16 H34 N6 Si -","- C16 H34 N6 Si -","- C32 H68 N12 Si2 -","2","2","","Flores, Vincent J.; Girolami, Gregory S.","Synthesis, characterization, and thermal properties of volatile 1,4-dialkyl-5-silatetrazolines: nitrogen-rich silicon heterocycles as possible CVD precursors for silicon nitride.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9399","9404","10.1039/d4dt03473b","","","0.71073","MoKα","","0.0373","0.034","","","0.0811","0.0832","","","","","","1.031","","","","has coordinates","300950","2025-07-06","16:55:18",""
"7718305","32.8033","0.0013","7.913","0.0003","22.6862","0.001","90","","119.452","0.001","90","","5127.7","0.4","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Indole-BHMeoCb2","","- C14 H34 B21 N -","- C14 H34 B21 N -","- C112 H272 B168 N8 -","8","1","","Begum, Ayesha; Akram, Manjur O.; Martin, Caleb D.","Dearomative C2-borylation of indoles.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5664","5667","10.1039/d5dt00579e","","","0.71073","MoKα","","0.0482","0.0419","","","0.1081","0.1122","","","","","","1.069","","","","has coordinates","300896","2025-07-06","16:32:00",""
"7718306","15.5145","0.0005","18.9095","0.0006","38.3552","0.0012","90","","90","","90","","11252.3","0.6","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-methyl-Indole-BHMeoCb2","","- C31 H74 B42 Cl2 N2 -","- C31 H74 B42 Cl2 N2 -","- C248 H592 B336 Cl16 N16 -","8","1","","Begum, Ayesha; Akram, Manjur O.; Martin, Caleb D.","Dearomative C2-borylation of indoles.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5664","5667","10.1039/d5dt00579e","","","0.71073","MoKα","","0.0789","0.0537","","","0.1251","0.1543","","","","","","1.092","","","","has coordinates","300896","2025-07-06","16:32:01",""
"7718307","15.9313","0.0004","7.8058","0.0002","10.8413","0.0002","90","","97.768","0.001","90","","1335.81","0.05","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- I Nd3 S6.82 Se1.18 Si2 -","- I Nd3 S6.8226 Se1.1774 Si2 -","- I4 Nd12 S27.2904 Se4.7096 Si8 -","4","0.5","","Panigrahi, Gopabandhu; Kashem, Habiba Binte; Morrison, Gregory; zur Loye, Hans-Conrad","Synthesis of a series of rare-earth-based multi-anion chalcogenide iodides RE3Si2SexS8−xI (RE = La, Ce, Pr, and Nd) using the flux-assisted boron–chalcogen mixture method","Dalton Transactions","2025","54","15","6252","6260","10.1039/D4DT03506B","","","0.71073","MoKα","","0.0116","0.0112","","","0.0237","0.0238","","","","","","1.219","","","","has coordinates,has disorder","300922","2025-07-06","16:43:31",""
"7718308","16.0737","0.0003","7.894","0.0001","10.9299","0.0002","90","","97.598","0.001","90","","1374.67","0.04","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ce3 I S6.61 Se1.39 Si2 -","- Ce3 I S6.6114 Se1.3886 Si2 -","- Ce12 I4 S26.4456 Se5.5544 Si8 -","4","0.5","","Panigrahi, Gopabandhu; Kashem, Habiba Binte; Morrison, Gregory; zur Loye, Hans-Conrad","Synthesis of a series of rare-earth-based multi-anion chalcogenide iodides RE3Si2SexS8−xI (RE = La, Ce, Pr, and Nd) using the flux-assisted boron–chalcogen mixture method","Dalton Transactions","2025","54","15","6252","6260","10.1039/D4DT03506B","","","0.71073","MoKα","","0.0106","0.0095","","","0.0216","0.0221","","","","","","1.078","","","","has coordinates,has disorder","300922","2025-07-06","16:43:32",""
"7718309","15.9823","0.0004","7.8496","0.0001","10.8814","0.0002","90","","97.698","0.001","90","","1352.82","0.05","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- I Pr3 S6.78 Se1.22 Si2 -","- I Pr3 S6.7784 Se1.2216 Si2 -","- I4 Pr12 S27.1136 Se4.8864 Si8 -","4","0.5","","Panigrahi, Gopabandhu; Kashem, Habiba Binte; Morrison, Gregory; zur Loye, Hans-Conrad","Synthesis of a series of rare-earth-based multi-anion chalcogenide iodides RE3Si2SexS8−xI (RE = La, Ce, Pr, and Nd) using the flux-assisted boron–chalcogen mixture method","Dalton Transactions","2025","54","15","6252","6260","10.1039/D4DT03506B","","","0.71073","MoKα","","0.0083","0.0081","","","0.0191","0.0191","","","","","","1.264","","","","has coordinates,has disorder","300922","2025-07-06","16:43:40",""
"7718310","16.172","0.0003","7.9517","0.0001","10.9848","0.0002","90","","97.702","0.001","90","","1399.85","0.04","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- I La3 S6.79 Se1.21 Si2 -","- I La3 S6.788 Se1.212 Si2 -","- I4 La12 S27.152 Se4.848 Si8 -","4","0.5","","Panigrahi, Gopabandhu; Kashem, Habiba Binte; Morrison, Gregory; zur Loye, Hans-Conrad","Synthesis of a series of rare-earth-based multi-anion chalcogenide iodides RE3Si2SexS8−xI (RE = La, Ce, Pr, and Nd) using the flux-assisted boron–chalcogen mixture method","Dalton Transactions","2025","54","15","6252","6260","10.1039/D4DT03506B","","","0.71073","MoKα","","0.0111","0.0102","","","0.0413","0.0418","","","","","","1.465","","","","has coordinates,has disorder","300922","2025-07-06","16:43:40",""
"7718311","20.6676","0.0003","23.1","0.0004","27.4588","0.0004","90","","90","","90","","13109.4","0.4","200","2","200","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C28 H39 Ba0.5 F3 N3 O9 S -","- C28 H39 Ba0.5 F3 N3 O9 S -","- C448 H624 Ba8 F48 N48 O144 S16 -","16","2","","Kumar, Amit; Golwankar, Riddhi R.; Pyrch, Mikaela M. F.; Cooper, Fynn L.; Arehart, Grant A.; Carter, Korey P.; Oliver, Allen G.; Day, Victor W.; Forbes, Tori Z.; Blakemore, James D.","Macrocyclic control of electron transfer to high valent uranium in heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8061","8075","10.1039/d4dt03503h","","x-ray","1.54178","CuKα","","0.0544","0.0438","","","0.1252","0.136","","","","","","1.036","","","","has coordinates,has disorder","300858","2025-07-06","16:17:59",""
"7718312","15.7347","0.001","10.8087","0.0007","19.31","0.0012","90","","90","","90","","3284.1","0.4","120","2","120","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C25 H27 Ca F6 N3 O13 S2 U -","- C25 H27 Ca F6 N3 O13 S2 U -","- C100 H108 Ca4 F24 N12 O52 S8 U4 -","4","1","","Kumar, Amit; Golwankar, Riddhi R.; Pyrch, Mikaela M. F.; Cooper, Fynn L.; Arehart, Grant A.; Carter, Korey P.; Oliver, Allen G.; Day, Victor W.; Forbes, Tori Z.; Blakemore, James D.","Macrocyclic control of electron transfer to high valent uranium in heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8061","8075","10.1039/d4dt03503h","","x-ray","0.71073","MoKα","","0.0361","0.0318","","","0.0659","0.0675","","","","","","1.094","","","","has coordinates,has disorder","300858","2025-07-06","16:18:00",""
"7718313","12.2866","0.0008","18.0256","0.0012","15.5245","0.001","90","","106.773","0.002","90","","3292","0.4","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Ca F6 N3 O13 S2 U -","- C25 H27 Ca F6 N3 O13 S2 U -","- C100 H108 Ca4 F24 N12 O52 S8 U4 -","4","1","","Kumar, Amit; Golwankar, Riddhi R.; Pyrch, Mikaela M. F.; Cooper, Fynn L.; Arehart, Grant A.; Carter, Korey P.; Oliver, Allen G.; Day, Victor W.; Forbes, Tori Z.; Blakemore, James D.","Macrocyclic control of electron transfer to high valent uranium in heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8061","8075","10.1039/d4dt03503h","","x-ray","0.71073","MoKα","","0.0652","0.0481","","","0.1042","0.1115","","","","","","1.077","","","","has coordinates,has disorder","300858","2025-07-06","16:18:01",""
"7718314","9.7725","0.0003","12.1131","0.0004","14.1658","0.0005","75.1951","0.0011","80.6655","0.0012","73.5073","0.001","1547.22","0.09","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H30 F3 N4 Na O10 S U -","- C26 H30 F3 N4 Na O10 S U -","- C52 H60 F6 N8 Na2 O20 S2 U2 -","2","1","","Kumar, Amit; Golwankar, Riddhi R.; Pyrch, Mikaela M. F.; Cooper, Fynn L.; Arehart, Grant A.; Carter, Korey P.; Oliver, Allen G.; Day, Victor W.; Forbes, Tori Z.; Blakemore, James D.","Macrocyclic control of electron transfer to high valent uranium in heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8061","8075","10.1039/d4dt03503h","","x-ray","1.54178","CuKα","","0.0232","0.0227","","","0.0564","0.0568","","","","","","1.08","","","","has coordinates,has disorder","300858","2025-07-06","16:18:01",""
"7718315","10.3526","0.0003","13.0258","0.0003","19.7606","0.0005","90","","100.36","0.001","90","","2621.29","0.12","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N4 O7 U -","- C25 H30 N4 O7 U -","- C100 H120 N16 O28 U4 -","4","1","","Kumar, Amit; Golwankar, Riddhi R.; Pyrch, Mikaela M. F.; Cooper, Fynn L.; Arehart, Grant A.; Carter, Korey P.; Oliver, Allen G.; Day, Victor W.; Forbes, Tori Z.; Blakemore, James D.","Macrocyclic control of electron transfer to high valent uranium in heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8061","8075","10.1039/d4dt03503h","","x-ray","1.54178","CuKα","","0.0394","0.0362","","","0.0887","0.0917","","","","","","1.095","","","","has coordinates,has disorder","300858","2025-07-06","16:18:01",""
"7718316","12.1206","0.0004","12.947","0.0004","19.1487","0.0006","90","","104.17","0.0011","90","","2913.48","0.16","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 F3 N3 Na O10 S U -","- C24 H27 F3 N3 Na O10 S U -","- C96 H108 F12 N12 Na4 O40 S4 U4 -","4","1","","Kumar, Amit; Golwankar, Riddhi R.; Pyrch, Mikaela M. F.; Cooper, Fynn L.; Arehart, Grant A.; Carter, Korey P.; Oliver, Allen G.; Day, Victor W.; Forbes, Tori Z.; Blakemore, James D.","Macrocyclic control of electron transfer to high valent uranium in heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8061","8075","10.1039/d4dt03503h","","x-ray","1.54178","CuKα","","0.0382","0.0335","","","0.0845","0.0876","","","","","","1.042","","","","has coordinates,has disorder","300858","2025-07-06","16:18:01",""
"7718317","9.8299","0.0011","12.1237","0.0014","13.9454","0.0016","75.861","0.002","78.916","0.002","70.94","0.002","1511.7","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H30 F3 Li N4 O10 S U -","- C26 H30 F3 Li N4 O10 S U -","- C52 H60 F6 Li2 N8 O20 S2 U2 -","2","1","","Kumar, Amit; Golwankar, Riddhi R.; Pyrch, Mikaela M. F.; Cooper, Fynn L.; Arehart, Grant A.; Carter, Korey P.; Oliver, Allen G.; Day, Victor W.; Forbes, Tori Z.; Blakemore, James D.","Macrocyclic control of electron transfer to high valent uranium in heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8061","8075","10.1039/d4dt03503h","","x-ray","0.71073","MoKα","","0.0195","0.0172","","","0.0395","0.0402","","","","","","1.075","","","","has coordinates,has disorder","300858","2025-07-06","16:18:01",""
"7718318","12.1266","0.0004","12.9389","0.0004","19.1605","0.0006","90","","104.083","0.001","90","","2916.02","0.16","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 F3 N3 Na O10 S U -","- C24 H27 F3 N3 Na O10 S U -","- C96 H108 F12 N12 Na4 O40 S4 U4 -","4","1","","Kumar, Amit; Golwankar, Riddhi R.; Pyrch, Mikaela M. F.; Cooper, Fynn L.; Arehart, Grant A.; Carter, Korey P.; Oliver, Allen G.; Day, Victor W.; Forbes, Tori Z.; Blakemore, James D.","Macrocyclic control of electron transfer to high valent uranium in heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8061","8075","10.1039/d4dt03503h","","x-ray","1.54178","CuKα","","0.0432","0.0392","","","0.0981","0.1019","","","","","","1.048","","","","has coordinates,has disorder","300858","2025-07-06","16:18:01",""
"7718319","10.2238","0.0003","12.1909","0.0004","13.9815","0.0005","99.7935","0.0014","98.0293","0.0015","103.342","0.0013","1641.52","0.09","200","2","200","2","","","","","","","","9","P -1","-P 1","2","","","","- C26 H31 Cl2 F3 N3 Na O10 S U -","- C26 H31 Cl2 F3 N3 Na O10 S U -","- C52 H62 Cl4 F6 N6 Na2 O20 S2 U2 -","2","1","","Kumar, Amit; Golwankar, Riddhi R.; Pyrch, Mikaela M. F.; Cooper, Fynn L.; Arehart, Grant A.; Carter, Korey P.; Oliver, Allen G.; Day, Victor W.; Forbes, Tori Z.; Blakemore, James D.","Macrocyclic control of electron transfer to high valent uranium in heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8061","8075","10.1039/d4dt03503h","","x-ray","1.54178","CuKα","","0.0388","0.0371","","","0.096","0.098","","","","","","1.047","","","","has coordinates,has disorder","300858","2025-07-06","16:18:01",""
"7718320","12.7315","0.0005","10.6287","0.0004","22.1874","0.001","90","","98.121","0.001","90","","2972.3","0.2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 F3 Li N3 O11 S U -","- C26 H31 F3 Li N3 O11 S U -","- C104 H124 F12 Li4 N12 O44 S4 U4 -","4","1","","Kumar, Amit; Golwankar, Riddhi R.; Pyrch, Mikaela M. F.; Cooper, Fynn L.; Arehart, Grant A.; Carter, Korey P.; Oliver, Allen G.; Day, Victor W.; Forbes, Tori Z.; Blakemore, James D.","Macrocyclic control of electron transfer to high valent uranium in heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8061","8075","10.1039/d4dt03503h","","x-ray","1.54178","CuKα","","0.0362","0.0347","","","0.0904","0.0917","","","","","","1.048","","","","has coordinates,has disorder","300858","2025-07-06","16:18:01",""
"7718321","39.072","0.002","39.072","0.002","28.851","0.003","90","","90","","90","","44045","6","170","2","170","","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C165 H302 N44 O54 U2 -","- C51 H36 N6 O16 U2 -","- C408 H288 N48 O128 U16 -","8","0.5","","Deng, Shuang; Huang, Zhi-Wei; Fu, Xuan; Zhou, Zhi-Heng; Guo, Zhi-Ren; Mei, Lei; Yu, Ji-Pan; Zhu, Yan-Qiu; Wang, Nan-Nan; Hu, Kong-Qiu; Shi, Wei-Qun","A uranyl-based metal-organic framework featuring an eight-connected U<sub>4</sub>L<sub>2</sub> cage for guest capture.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6239","6245","10.1039/d5dt00307e","","","1.54178","CuKα","","0.1099","0.0764","","","0.2262","0.2617","","","","","","1.086","","","","has coordinates","300909","2025-07-06","16:37:27",""
"7718322","9.0996","0.0016","9.4753","0.0018","11.653","0.002","90","","98.936","0.007","90","","992.5","0.3","301","2","301","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B7 H2 O12 Rb -","- B7 H2 O12 Rb -","- B28 H8 O48 Rb4 -","4","0.5","","Zheng, Yujing; Li, Ke; Huang, Ling; Zhang, Fangfang","RbB7O10(OH)2 and NaB11O16(OH)2: alkali metal hydroxyborates with two-dimensional layered structures and large birefringence","Dalton Transactions","2025","54","15","6139","6144","10.1039/D5DT00426H","","","0.71073","MoKα","","0.081","0.0497","","","0.0962","0.1072","","","","","","1.066","","","","has coordinates","300912","2025-07-06","16:38:36",""
"7718323","14.1609","0.0017","10.1654","0.0013","10.2568","0.0013","90","","107.199","0.005","90","","1410.5","0.3","98","","98","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B11 H2 Na O18 -","- B11 H2 Na O18 -","- B44 H8 Na4 O72 -","4","0.5","","Zheng, Yujing; Li, Ke; Huang, Ling; Zhang, Fangfang","RbB7O10(OH)2 and NaB11O16(OH)2: alkali metal hydroxyborates with two-dimensional layered structures and large birefringence","Dalton Transactions","2025","54","15","6139","6144","10.1039/D5DT00426H","","","0.71073","MoKα","","0.0626","0.0486","","","0.1184","0.1286","","","","","","1.091","","","","has coordinates","300912","2025-07-06","16:38:44",""
"7718324","18.4395","0.0008","14.6169","0.0005","17.3824","0.0007","90","","112.872","0.005","90","","4316.7","0.3","110","2","110","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C26 H22 Si2 -","- C26 H22 Si2 -","- C208 H176 Si16 -","8","2","","Wentz, Kelsie E.; Molino, Andrew; Jiang, George Q.; Siegler, Maxime A.; Wilson, David J. D.; Thoi, V. Sara; Klausen, Rebekka S.","Synthesis and redox behavior of Si-Si dimeric 9-methylsilafluorene.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6167","6173","10.1039/d5dt00097a","","","1.54178","CuKα","","0.0572","0.0425","","","0.1005","0.1081","","","","","","1.022","","","","has coordinates,has disorder","300914","2025-07-06","16:39:45",""
"7718325","11.5239","0.0011","12.7389","0.0011","14.3481","0.0013","73.774","0.003","86.419","0.003","64.554","0.002","1822.2","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 N16 O48 P W12 -","- C40 H52 N16 O48 P W12 -","- C40 H52 N16 O48 P W12 -","1","0.5","","Mishra, Neeraj Kumar; Panday, Rishukumar; Supriya, Sabbani","Inorganic-organic hybrids of the phosphotungstate Keggin anion and a Schiff base cation.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7062","7070","10.1039/d4dt03480e","","","0.71073","MoKα","","0.0844","0.0733","","","0.1674","0.1705","","","","","","1.488","","","","has coordinates,has disorder","300811","2025-07-06","15:51:56",""
"7718326","11.6205","0.0013","13.7809","0.0016","14.1474","0.0016","107.005","0.003","105.237","0.003","101.335","0.003","1996.5","0.4","100.28","","100.28","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 N16 O44 P W12 -","- C36 H32 N16 O44 P W12 -","- C36 H32 N16 O44 P W12 -","1","0.5","","Mishra, Neeraj Kumar; Panday, Rishukumar; Supriya, Sabbani","Inorganic-organic hybrids of the phosphotungstate Keggin anion and a Schiff base cation.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7062","7070","10.1039/d4dt03480e","","","0.71073","MoKα","","0.1123","0.0524","","","0.1218","0.1454","","","","","","1.029","","","","has coordinates,has disorder","300811","2025-07-06","15:51:57",""
"7718327","13.8413","0.0017","13.8866","0.0017","15.6107","0.0015","88.234","0.004","88.248","0.004","76.672","0.004","2917.5","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H108 N6 O94 P2 W24 -","- C54 H92.76 N6 O94 P2 W24 -","- C54 H92.76 N6 O94 P2 W24 -","1","0.5","","Mishra, Neeraj Kumar; Panday, Rishukumar; Supriya, Sabbani","Inorganic-organic hybrids of the phosphotungstate Keggin anion and a Schiff base cation.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7062","7070","10.1039/d4dt03480e","","","0.71073","MoKα","","0.1476","0.0833","","","0.1921","0.2285","","","","","","1.083","","","","has coordinates,has disorder","300811","2025-07-06","15:51:57",""
"7718328","12.99","0.0012","19.606","0.0018","8.3437","0.0007","90","","90","","90","","2125","0.3","296","2","296","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C23 H35 N17 Nd4 O23 -","- C20 H16 N16 Nd4 O19 -","- C40 H32 N32 Nd8 O38 -","2","0.25","","Liu, Wan-Li; Wang, Yu; Hu, Yue-Qiao; Lü, Lei","Conductivity of a series of (4,8)-connected lanthanide metal-organic frameworks with [Ln<sub>4</sub>O<sub>5</sub>] clusters and high selectivity for visual sensing of nitrophenol compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6866","6875","10.1039/d4dt03520h","","","0.71073","MoKα","","0.0621","0.0377","","","0.078","0.0874","","","","","","0.993","","","","has coordinates","300814","2025-07-06","15:53:51",""
"7718329","12.9882","0.0005","19.5458","0.0008","8.3146","0.0003","90","","90","","90","","2110.78","0.14","296","2","296","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C25 H26 N18 O23 Sm4 -","- C23 H34 N17 O23 Sm4 -","- C46 H68 N34 O46 Sm8 -","2","0.25","","Liu, Wan-Li; Wang, Yu; Hu, Yue-Qiao; Lü, Lei","Conductivity of a series of (4,8)-connected lanthanide metal-organic frameworks with [Ln<sub>4</sub>O<sub>5</sub>] clusters and high selectivity for visual sensing of nitrophenol compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6866","6875","10.1039/d4dt03520h","","","0.71073","MoKα","","0.0245","0.0215","","","0.0498","0.0513","","","","","","1.096","","","","has coordinates,has disorder","300814","2025-07-06","15:53:52",""
"7718330","13.3195","0.0007","19.3373","0.001","8.2469","0.0004","90","","90","","90","","2124.1","0.19","296","2","296","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C26 H28 Er4 N18 O17 -","- C26 H23.992 Er4 N18 O17 -","- C52 H47.984 Er8 N36 O34 -","2","0.25","","Liu, Wan-Li; Wang, Yu; Hu, Yue-Qiao; Lü, Lei","Conductivity of a series of (4,8)-connected lanthanide metal-organic frameworks with [Ln<sub>4</sub>O<sub>5</sub>] clusters and high selectivity for visual sensing of nitrophenol compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6866","6875","10.1039/d4dt03520h","","","0.71073","MoKα","","0.0213","0.0202","","","0.0654","0.0662","","","","","","1.029","","","","has coordinates,has disorder","300814","2025-07-06","15:53:52",""
"7718331","13.2529","0.0005","19.3824","0.0008","8.2748","0.0003","90","","90","","90","","2125.57","0.14","296","2","296","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C26 H28 N18 O17 Tb4 -","- C26 H22 N18 O17 Tb4 -","- C52 H44 N36 O34 Tb8 -","2","0.25","","Liu, Wan-Li; Wang, Yu; Hu, Yue-Qiao; Lü, Lei","Conductivity of a series of (4,8)-connected lanthanide metal-organic frameworks with [Ln<sub>4</sub>O<sub>5</sub>] clusters and high selectivity for visual sensing of nitrophenol compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6866","6875","10.1039/d4dt03520h","","","0.71073","MoKα","","0.0461","0.0311","","","0.0659","0.0715","","","","","","1.077","","","","has coordinates,has disorder","300814","2025-07-06","15:53:52",""
"7718332","6.44","0.0001","11.6756","0.0002","11.8559","0.0002","111.195","0.001","103.242","0.001","94.756","0.001","795.45","0.02","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Cl6 N4 Sb2 Se2 -","- C22 H24 Cl6 N4 Sb2 Se2 -","- C22 H24 Cl6 N4 Sb2 Se2 -","1","0.5","","Kulkarni, Atharva Y.; Majumder, Dwaipayan; Tripathi, Vaidehi S.; Kedarnath, G.; Wadawale, Amey P.; Singh, Vishal; Chauhan, Rohit Singh; Karmakar, Gourab; Tyagi, Adish","A molecular precursor approach for the synthesis of hollow nanotubes and nanorods of antimonselite (Sb<sub>2</sub>Se<sub>3</sub>): an efficient electrocatalyst for hydrogen evolution reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6550","6562","10.1039/d4dt03435j","","x-ray","1.54184","CuKα","","0.1033","0.051","","","0.1508","0.2535","","","","","","1.1082","","","","has coordinates","300832","2025-07-06","16:06:20",""
"7718333","20.8183","0.0017","13.6977","0.0011","11.6759","0.0008","90","","105.592","0.003","90","","3207","0.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 F6 Mn N4 O4 P -","- C30 H39.5 F6 Mn N4 O4 P -","- C120 H158 F24 Mn4 N16 O16 P4 -","4","0.5","","Malik, Suvamoy; Brandão, Paula; Benmansour, Samia; Gómez-García, Carlos J; Saha, Amrita","Modulation of the spin crossover behaviour in four manganese(III) complexes through cation-anion interactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6645","6652","10.1039/d5dt00238a","","","0.71073","MoKα","","0.0577","0.055","","","0.1435","0.1461","","","","","","1.078","","","","has coordinates,has disorder","300840","2025-07-06","16:10:45",""
"7718334","21.188","0.004","13.798","0.003","11.8038","0.0019","90","","105.616","0.006","90","","3323.5","1.1","295","","295","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 F6 Mn N4 O4 P -","- C30 H39.5 F6 Mn N4 O4 P -","- C120 H158 F24 Mn4 N16 O16 P4 -","4","0.5","","Malik, Suvamoy; Brandão, Paula; Benmansour, Samia; Gómez-García, Carlos J; Saha, Amrita","Modulation of the spin crossover behaviour in four manganese(III) complexes through cation-anion interactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6645","6652","10.1039/d5dt00238a","","","0.71073","MoKα","","0.0618","0.0551","","","0.1627","0.1733","","","","","","1.052","","","","has coordinates,has disorder","300840","2025-07-06","16:10:49",""
"7718335","8.2135","0.00017","20.3035","0.0004","18.3993","0.0004","90","","90","","90","","3068.32","0.11","100.15","","100.15","","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C30 H40 I Mn N4 O4 -","- C30 H40 I Mn N4 O4 -","- C120 H160 I4 Mn4 N16 O16 -","4","0.5","","Malik, Suvamoy; Brandão, Paula; Benmansour, Samia; Gómez-García, Carlos J; Saha, Amrita","Modulation of the spin crossover behaviour in four manganese(III) complexes through cation-anion interactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6645","6652","10.1039/d5dt00238a","","","0.71073","MoKα","","0.0213","0.0207","","","0.0613","0.0617","","","","","","1.112","","","","has coordinates","300840","2025-07-06","16:10:49",""
"7718336","8.3941","0.0003","20.4606","0.0007","18.544","0.0006","90","","90","","90","","3184.9","0.19","398.15","","398.15","","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C30 H40 I Mn N4 O4 -","- C30 H40 I Mn N4 O4 -","- C120 H160 I4 Mn4 N16 O16 -","4","0.5","","Malik, Suvamoy; Brandão, Paula; Benmansour, Samia; Gómez-García, Carlos J; Saha, Amrita","Modulation of the spin crossover behaviour in four manganese(III) complexes through cation-anion interactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6645","6652","10.1039/d5dt00238a","","","0.71073","MoKα","","0.0447","0.0359","","","0.0954","0.1012","","","","","","1.058","","","","has coordinates","300840","2025-07-06","16:10:49",""
"7718337","8.3658","0.0004","20.526","0.0009","17.8682","0.0008","90","","90","","90","","3068.3","0.2","398.15","","398.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C30 H40 Br0.7 Mn N4.3 O4.9 -","- C30 H40 Br0.7 Mn N4.3 O4.9 -","- C120 H160 Br2.8 Mn4 N17.2 O19.6 -","4","0.5","","Malik, Suvamoy; Brandão, Paula; Benmansour, Samia; Gómez-García, Carlos J; Saha, Amrita","Modulation of the spin crossover behaviour in four manganese(III) complexes through cation-anion interactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6645","6652","10.1039/d5dt00238a","","","0.71073","MoKα","","0.1721","0.1025","","","0.1639","0.1853","","","","","","1.219","","","","has coordinates,has disorder","300840","2025-07-06","16:10:49",""
"7718338","8.4803","0.0006","20.3891","0.0012","18.858","0.0016","90","","90","","90","","3260.7","0.4","398.15","","398.15","","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C30 H40 B F4 Mn N4 O4 -","- C30 H40 B F4 Mn N4 O4 -","- C120 H160 B4 F16 Mn4 N16 O16 -","4","0.5","","Malik, Suvamoy; Brandão, Paula; Benmansour, Samia; Gómez-García, Carlos J; Saha, Amrita","Modulation of the spin crossover behaviour in four manganese(III) complexes through cation-anion interactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6645","6652","10.1039/d5dt00238a","","","0.71073","MoKα","","0.0633","0.0462","","","0.1254","0.1338","","","","","","1.088","","","","has coordinates","300840","2025-07-06","16:10:49",""
"7718339","8.1594","0.0002","20.3505","0.0004","17.5553","0.0003","90","","90","","90","","2915.02","0.1","100.15","","100.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C30 H40 Br0.7 Mn N4.3 O4.9 -","- C30 H40 Br0.7 Mn N4.3 O4.9 -","- C120 H160 Br2.8 Mn4 N17.2 O19.6 -","4","0.5","","Malik, Suvamoy; Brandão, Paula; Benmansour, Samia; Gómez-García, Carlos J; Saha, Amrita","Modulation of the spin crossover behaviour in four manganese(III) complexes through cation-anion interactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6645","6652","10.1039/d5dt00238a","","","0.71073","MoKα","","0.0565","0.0419","","","0.0919","0.097","","","","","","1.076","","","","has coordinates,has disorder","300840","2025-07-06","16:10:49",""
"7718340","20.23","0.002","8.2512","0.0006","18.3902","0.0013","90","","90","","90","","3069.7","0.4","100","","100","","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C30 H40 B0.689 F3.907 Mn N4 O4 -","- C30 H40 B0.69 F3.908 Mn N4 O4 -","- C120 H160 B2.76 F15.632 Mn4 N16 O16 -","4","0.5","","Malik, Suvamoy; Brandão, Paula; Benmansour, Samia; Gómez-García, Carlos J; Saha, Amrita","Modulation of the spin crossover behaviour in four manganese(III) complexes through cation-anion interactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6645","6652","10.1039/d5dt00238a","","","0.71073","MoKα","","0.0641","0.0582","","","0.1513","0.159","","","","","","1.038","","","","has coordinates","300840","2025-07-06","16:10:49",""
"7718341","12.131","0.0004","13.3101","0.0004","23.5722","0.0005","90","","98.597","0.001","90","","3763.32","0.19","120","2","120","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 N6 O5 Si en lv so t -","- C40 H28 N6 O5 Si -","- C160 H112 N24 O20 Si4 -","4","1","","Giuso, Valerio; Thierry, Thibault; Gourlaouen, Christophe; Mercandelli, Pierluigi; Vanthuyne, Nicolas; Mauro, Matteo; Bellemin-Laponnaz, Stéphane","A chiral Si(iv) complex bearing a 1,2,4-triazole-2,2′-diphenol ligand: synthesis, (chiro-)optical properties and computational investigation","Dalton Transactions","2025","54","16","6684","6693","10.1039/D5DT00392J","","","0.71073","MoKα","","0.0684","0.0578","","","0.1528","0.1607","","","","","","1.05","","","","has coordinates","300830","2025-07-06","16:05:46",""
"7718342","14.2832","0.0007","15.678","0.0008","13.2979","0.0005","90","","97.346","0.004","90","","2953.4","0.2","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tris(4-methoxybenzoylacetonato)iron(III)","","- C33 H33 Fe O9 -","- C33 H33 Fe O9 -","- C132 H132 Fe4 O36 -","4","1","","Jarzyński, Szymon; Doroszko, Cyprian; Jamroz, Daria; Stefanowska-Kątna, Kinga; Walkowiak, Jędrzej; Wojtulewski, Sławomir; Zakrzewski, Janusz; Rudolf, Bogna","Complete ligand substitution and oxidation of the metal center in the photochemical reaction of CpM(CO)<sub>2</sub>I (M = Fe, Ru) with chelating β-diketones.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5935","5943","10.1039/d5dt00294j","","x-ray","0.71073","MoKα","","0.085","0.0668","","","0.1732","0.1857","","","","","","1.086","","","","has coordinates","300892","2025-07-06","16:30:56",""
"7718343","10.087","0.0002","12.6637","0.0003","21.3134","0.0004","90","","98.642","0.002","90","","2691.64","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 O32 S4 V10 -","- C34 H44 O32 S4 V10 -","- C68 H88 O64 S8 V20 -","2","0.5","","Routh, Kousik; Kar, Aranya; Pradeep, Chullikkattil P.","Modulating the catalytic properties of decavanadate hybrids using a mixed counterion strategy for selective oxidation of thiophene-based sulfides and detoxification of mustard gas simulant.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6195","6210","10.1039/d5dt00102a","","x-ray","0.71073","MoKα","","0.0559","0.044","","","0.1202","0.1317","","","","","","1.093","","","","has coordinates","300916","2025-07-06","16:40:08",""
"7718344","9.2919","0.0002","13.6376","0.0003","10.4234","0.0002","90","","90","","90","","1320.85","0.05","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Ag2 B5 F O8 -","- Ag2 B5 F O8 -","- Ag16 B40 F8 O64 -","8","1","","Volkov, Sergey; Yang, Xia; Kireev, Vadim; Banaru, Alexander; Han, Shujuan; Gosteva, Alevtina; Arsent'ev, Maxim; Charkin, Dmitri; Povolotskiy, Alexey; Savchenko, Yevgeny; Krzhizhanovskaya, Maria; Vorobiev, Stepan; Vaitieva, Yulia; Aksenov, Sergey; Zhang, Fangfang","Expanding silver fluorooxoborate crystal chemistry: Ag<sub>2</sub>B<sub>5</sub>O<sub>8</sub>F with 3D double interpenetrating frameworks and Ag<sub>3</sub>B<sub>5</sub>O<sub>8</sub>F<sub>2</sub> with 2D layers.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6020","6024","10.1039/d5dt00263j","","x-ray","0.71073","MoKα","","0.0237","0.0172","","","0.0193","0.02","","","","1.23","1.23","1.16","","","","has coordinates","300908","2025-07-06","16:37:09",""
"7718345","7.8855","0.0002","10.3111","0.0003","9.4299","0.0003","90","","91.338","0.003","90","","766.52","0.04","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ag3 B5 F2 O8 -","- Ag3 B5 F2 O8 -","- Ag12 B20 F8 O32 -","4","1","","Volkov, Sergey; Yang, Xia; Kireev, Vadim; Banaru, Alexander; Han, Shujuan; Gosteva, Alevtina; Arsent'ev, Maxim; Charkin, Dmitri; Povolotskiy, Alexey; Savchenko, Yevgeny; Krzhizhanovskaya, Maria; Vorobiev, Stepan; Vaitieva, Yulia; Aksenov, Sergey; Zhang, Fangfang","Expanding silver fluorooxoborate crystal chemistry: Ag<sub>2</sub>B<sub>5</sub>O<sub>8</sub>F with 3D double interpenetrating frameworks and Ag<sub>3</sub>B<sub>5</sub>O<sub>8</sub>F<sub>2</sub> with 2D layers.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6020","6024","10.1039/d5dt00263j","","x-ray","0.71073","MoKα","","0.0312","0.0225","","","0.0236","0.0248","","","","1.31","1.31","1.24","","","","has coordinates","300908","2025-07-06","16:37:09",""
"7718346","6.958","0.003","10.085","0.004","13.585","0.005","69.395","0.019","85.236","0.016","89.796","0.017","888.9","0.6","284.07","","284.07","","","","","","","","","6","P 1","P 1","1","","","","- C22 H42 Co N7 O18 P -","- C22 H41 Co N7 O18 P -","- C22 H41 Co N7 O18 P -","1","1","","Ilyas, Mubashar; Khan, Maroof Ahmad; Xiong, Lin; Zhang, Li; Lauqman, Muhammad; Abbas, Muhammad; Zohaib, Hafiz Muhammad; Manurkar, Nagesh; Li, Hui","Enhancements of the first and second hyperpolarizability of a GMP coordination polymer: crystal structure and computational studies.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5921","5934","10.1039/d5dt00248f","","","0.71073","MoKα","","0.0745","0.0544","","","0.1309","0.1422","","","","","","0.996","","","","has coordinates","300893","2025-07-06","16:31:15",""
"7718347","8.5193","0.0009","11.6683","0.0012","12.0884","0.0009","80.817","0.007","83.939","0.008","86.026","0.009","1177.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H26 Cd Cl Cu N O10 -","- C19 H26 Cd Cl Cu N O10 -","- C38 H52 Cd2 Cl2 Cu2 N2 O20 -","2","1","","Vassilyeva, Olga Yu; Nesterova, Oksana V.; Bieńko, Alina; Komarnicka, Urszula K.; Buvaylo, Elena A.; Vasylieva, Svitlana M.; Skelton, Brian W.; Nesterov, Dmytro S.","Heterometallic CuCd and Cu<sub>2</sub>Zn complexes with <i>o</i>-vanillin and its Schiff-base derivative: slow magnetic relaxation and catalytic activity associated with Cu(II) centres.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6117","6132","10.1039/d4dt03571b","","x-ray","0.71073","MoKα","","0.0542","0.0402","","","0.0909","0.1007","","","","","","1.057","","","","has coordinates,has disorder","300906","2025-07-06","16:36:50",""
"7718348","10.0813","0.0003","17.9676","0.0006","17.2069","0.0007","90","","90","","90","","3116.8","0.19","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H30 Cl2 Cu2 N2 O9 Zn -","- C28 H30 Cl2 Cu2 N2 O9 Zn -","- C112 H120 Cl8 Cu8 N8 O36 Zn4 -","4","1","","Vassilyeva, Olga Yu; Nesterova, Oksana V.; Bieńko, Alina; Komarnicka, Urszula K.; Buvaylo, Elena A.; Vasylieva, Svitlana M.; Skelton, Brian W.; Nesterov, Dmytro S.","Heterometallic CuCd and Cu<sub>2</sub>Zn complexes with <i>o</i>-vanillin and its Schiff-base derivative: slow magnetic relaxation and catalytic activity associated with Cu(II) centres.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6117","6132","10.1039/d4dt03571b","","","0.71073","MoKα","","0.0499","0.0396","","","0.0866","0.0918","","","","","","1.05","","","","has coordinates","300906","2025-07-06","16:36:51",""
"7718349","12.333","0.0016","12.475","0.0009","18.729","0.002","82.965","0.003","75.987","0.006","71.443","0.011","2647.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H37 B F24 N4 O2 Pd -","- C51 H37 B F24 N4 O2 Pd -","- C102 H74 B2 F48 N8 O4 Pd2 -","2","1","","Alberoni, Chiara; Reusser, Esaïe; Balducci, Gabriele; Alessio, Enzo; Albrecht, Martin; Milani, Barbara","The crucial role of acetonitrile in the mechanism of Pd(II)-catalyzed activation of polar vinyl monomers.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6876","6886","10.1039/d5dt00340g","","","0.6199","synchrotron","","0.122","0.1197","","","0.2769","0.2786","","","","","","1.039","","","","has coordinates,has disorder","300812","2025-07-06","15:52:12",""
"7718350","12.7013","0.0003","13.2387","0.0003","24.4356","0.0006","87.59","0.001","88.903","0.001","83.941","0.001","4081.8","0.17","126","","126","","","","","","","","","6","P -1","-P 1","2","","","","- C82.5 H46 Br F39 Mn N5 -","- C82.5 H46 Br F39 Mn N5 -","- C165 H92 Br2 F78 Mn2 N10 -","2","1","","Claude, Guilhem; Ellwanger, Mathias A.; Grippo, Adam; Hernandez, Ritchie; Figueroa, Joshua R.; Abram, Ulrich","A mixed isocyanide Mn(I) complex and its reduction to a metallate.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6025","6028","10.1039/d5dt00634a","","","1.54178","CuKα","","0.058","0.0506","","","0.1424","0.1521","","","","","","1.086","","","","has coordinates,has disorder","300918","2025-07-06","16:41:47",""
"7718351","20.2926","0.0011","22.933","0.0012","21.0751","0.0011","90","","100.43","0.003","90","","9645.7","0.9","100.15","","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C97.5 H70 F39 K Mn N5 O6 -","- C97.5 H70 F39 K Mn N5 O6 -","- C390 H280 F156 K4 Mn4 N20 O24 -","4","1","","Claude, Guilhem; Ellwanger, Mathias A.; Grippo, Adam; Hernandez, Ritchie; Figueroa, Joshua R.; Abram, Ulrich","A mixed isocyanide Mn(I) complex and its reduction to a metallate.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6025","6028","10.1039/d5dt00634a","","","1.54178","CuKα","","0.0899","0.0642","","","0.1487","0.1617","","","","","","1.089","","","","has coordinates,has disorder","300918","2025-07-06","16:41:47",""
"7718352","14.2861","0.0004","8.4355","0.0003","10.3479","0.0003","90","","90","","90","","1247.03","0.07","99.99","0.13","99.99","0.13","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H14 Au Cl2 N S2 -","- C7 H14 Au Cl2 N S2 -","- C28 H56 Au4 Cl8 N4 S8 -","4","0.5","","Brown, Ryan K.; Bunyan, Joseph N.; Agrawal, Ashi; Li, Guoyu; Dautoras, Dominykas; Sarker, Jagodish C.; Keat, Terng Tor; Hicks, Thomas; Hogarth, Graeme; Pugh, David","A revised understanding of the speciation of gold(III) dithiocarbamate complexes in solution.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7627","7640","10.1039/d5dt00240k","","x-ray","0.71073","MoKα","","0.0178","0.0161","","","0.037","0.0375","","","","","","1.124","","","","has coordinates","300824","2025-07-06","16:02:43",""
"7718353","19.2273","0.0006","10.0252","0.0002","19.614","0.0006","90","","105.615","0.003","90","","3641.21","0.18","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Au Br2 N S2 -","- C15 H14 Au Br2 N S2 -","- C120 H112 Au8 Br16 N8 S16 -","8","1","","Brown, Ryan K.; Bunyan, Joseph N.; Agrawal, Ashi; Li, Guoyu; Dautoras, Dominykas; Sarker, Jagodish C.; Keat, Terng Tor; Hicks, Thomas; Hogarth, Graeme; Pugh, David","A revised understanding of the speciation of gold(III) dithiocarbamate complexes in solution.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7627","7640","10.1039/d5dt00240k","","x-ray","0.71073","MoKα","","0.0499","0.0373","","","0.0599","0.0645","","","","","","1.027","","","","has coordinates","300824","2025-07-06","16:02:43",""
"7718354","11.1024","0.0002","8.901","0.0001","20.2871","0.0003","90","","106.552","0.002","90","","1921.74","0.05","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 Au2 Br2 N2 S4 -","- C10 H20 Au2 Br2 N2 S4 -","- C40 H80 Au8 Br8 N8 S16 -","4","0.5","","Brown, Ryan K.; Bunyan, Joseph N.; Agrawal, Ashi; Li, Guoyu; Dautoras, Dominykas; Sarker, Jagodish C.; Keat, Terng Tor; Hicks, Thomas; Hogarth, Graeme; Pugh, David","A revised understanding of the speciation of gold(III) dithiocarbamate complexes in solution.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7627","7640","10.1039/d5dt00240k","","x-ray","0.71075","MoKα","","0.0194","0.0191","","","0.0523","0.0525","","","","","","1.08","","","","has coordinates","300824","2025-07-06","16:02:43",""
"7718355","16.8266","0.0003","11.09752","0.00012","16.8429","0.0003","90","","108.425","0.0017","90","","2983.91","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 Au Cl2 N S2 -","- C9 H18 Au Cl2 N S2 -","- C72 H144 Au8 Cl16 N8 S16 -","8","2","","Brown, Ryan K.; Bunyan, Joseph N.; Agrawal, Ashi; Li, Guoyu; Dautoras, Dominykas; Sarker, Jagodish C.; Keat, Terng Tor; Hicks, Thomas; Hogarth, Graeme; Pugh, David","A revised understanding of the speciation of gold(III) dithiocarbamate complexes in solution.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7627","7640","10.1039/d5dt00240k","","x-ray","0.71075","MoKα","","0.0254","0.025","","","0.0625","0.0626","","","","","","1.103","","","","has coordinates","300824","2025-07-06","16:02:43",""
"7718356","27.04","0.003","6.0764","0.0002","15.3889","0.0019","90","","142.55","0.03","90","","1537.5","1.1","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 Au2 Br2 N2 S4 -","- C6 H12 Au2 Br2 N2 S4 -","- C24 H48 Au8 Br8 N8 S16 -","4","0.5","","Brown, Ryan K.; Bunyan, Joseph N.; Agrawal, Ashi; Li, Guoyu; Dautoras, Dominykas; Sarker, Jagodish C.; Keat, Terng Tor; Hicks, Thomas; Hogarth, Graeme; Pugh, David","A revised understanding of the speciation of gold(III) dithiocarbamate complexes in solution.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7627","7640","10.1039/d5dt00240k","","x-ray","1.54184","CuKα","","0.0666","0.0636","","","0.158","0.1605","","","","","","1.174","","","","has coordinates","300824","2025-07-06","16:02:43",""
"7718357","9.6057","0.0003","13.9353","0.0005","14.0539","0.0003","99.425","0.002","92.426","0.002","97.391","0.002","1836.55","0.1","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C31 H30 Au2 Br2 Cl2 N2 S4 -","- C31 H30 Au2 Br2 Cl2 N2 S4 -","- C62 H60 Au4 Br4 Cl4 N4 S8 -","2","1","","Brown, Ryan K.; Bunyan, Joseph N.; Agrawal, Ashi; Li, Guoyu; Dautoras, Dominykas; Sarker, Jagodish C.; Keat, Terng Tor; Hicks, Thomas; Hogarth, Graeme; Pugh, David","A revised understanding of the speciation of gold(III) dithiocarbamate complexes in solution.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7627","7640","10.1039/d5dt00240k","","x-ray","0.71073","MoKα","","0.042","0.0316","","","0.0566","0.0598","","","","","","1.053","","","","has coordinates","300824","2025-07-06","16:02:43",""
"7718358","6.7854","0.0003","6.8958","0.0002","10.2472","0.0004","90","","108.353","0.004","90","","455.09","0.03","100.03","0.1","100.03","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C3 H6 Au Br2 N S2 -","- C3 H6 Au Br2 N S2 -","- C6 H12 Au2 Br4 N2 S4 -","2","0.5","","Brown, Ryan K.; Bunyan, Joseph N.; Agrawal, Ashi; Li, Guoyu; Dautoras, Dominykas; Sarker, Jagodish C.; Keat, Terng Tor; Hicks, Thomas; Hogarth, Graeme; Pugh, David","A revised understanding of the speciation of gold(III) dithiocarbamate complexes in solution.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7627","7640","10.1039/d5dt00240k","","x-ray","0.71075","MoKα","","0.0236","0.0186","","","0.0342","0.0351","","","","","","1.02","","","","has coordinates,has disorder","300824","2025-07-06","16:02:43",""
"7718359","7.2901","0.0002","14.3937","0.0004","10.532","0.0003","90","","92.846","0.002","90","","1103.78","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H10 Au Br2 N S2 -","- C5 H10 Au Br2 N S2 -","- C20 H40 Au4 Br8 N4 S8 -","4","2","","Brown, Ryan K.; Bunyan, Joseph N.; Agrawal, Ashi; Li, Guoyu; Dautoras, Dominykas; Sarker, Jagodish C.; Keat, Terng Tor; Hicks, Thomas; Hogarth, Graeme; Pugh, David","A revised understanding of the speciation of gold(III) dithiocarbamate complexes in solution.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7627","7640","10.1039/d5dt00240k","","x-ray","0.71073","MoKα","","0.044","0.0423","","","0.105","0.1065","","","","","","1.071","","","","has coordinates","300824","2025-07-06","16:02:43",""
"7718360","17.7475","0.0004","12.8512","0.0003","7.69468","0.00018","90","","97.15","0.002","90","","1741.33","0.07","149.99","0.1","149.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Au Cl2 N S2 -","- C15 H14 Au Cl2 N S2 -","- C60 H56 Au4 Cl8 N4 S8 -","4","0.5","","Brown, Ryan K.; Bunyan, Joseph N.; Agrawal, Ashi; Li, Guoyu; Dautoras, Dominykas; Sarker, Jagodish C.; Keat, Terng Tor; Hicks, Thomas; Hogarth, Graeme; Pugh, David","A revised understanding of the speciation of gold(III) dithiocarbamate complexes in solution.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7627","7640","10.1039/d5dt00240k","","x-ray","1.54184","CuKα","","0.0351","0.0323","","","0.0737","0.0752","","","","","","1.045","","","","has coordinates","300824","2025-07-06","16:02:43",""
"7718361","10.9691","0.0001","7.5079","0.0001","21.3469","0.0003","90","","90.307","0.001","90","","1758","0.04","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 Au B F4 N2 S4 -","- C10 H20 Au B F4 N2 S4 -","- C40 H80 Au4 B4 F16 N8 S16 -","4","0.5","","Brown, Ryan K.; Bunyan, Joseph N.; Agrawal, Ashi; Li, Guoyu; Dautoras, Dominykas; Sarker, Jagodish C.; Keat, Terng Tor; Hicks, Thomas; Hogarth, Graeme; Pugh, David","A revised understanding of the speciation of gold(III) dithiocarbamate complexes in solution.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7627","7640","10.1039/d5dt00240k","","x-ray","0.71073","MoKα","","0.0191","0.0143","","","0.0305","0.0317","","","","","","1.069","","","","has coordinates","300824","2025-07-06","16:02:43",""
"7718362","8.1079","0.0002","13.3585","0.0002","13.5963","0.0003","76.596","0.002","77.724","0.002","84.299","0.002","1397.8","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 Au2 Cl2 N2 S4 -","- C18 H36 Au2 Cl2 N2 S4 -","- C36 H72 Au4 Cl4 N4 S8 -","2","1","","Brown, Ryan K.; Bunyan, Joseph N.; Agrawal, Ashi; Li, Guoyu; Dautoras, Dominykas; Sarker, Jagodish C.; Keat, Terng Tor; Hicks, Thomas; Hogarth, Graeme; Pugh, David","A revised understanding of the speciation of gold(III) dithiocarbamate complexes in solution.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7627","7640","10.1039/d5dt00240k","","x-ray","0.71073","MoKα","","0.0224","0.0187","","","0.0395","0.0403","","","","","","1.022","","","","has coordinates","300824","2025-07-06","16:02:43",""
"7718363","9.4231","0.0001","13.6971","0.0003","14.0103","0.0003","100.096","0.002","92.064","0.001","96.601","0.002","1765.58","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H30 Au2 Cl4 N2 S4 -","- C31 H30 Au2 Cl4 N2 S4 -","- C62 H60 Au4 Cl8 N4 S8 -","2","1","","Brown, Ryan K.; Bunyan, Joseph N.; Agrawal, Ashi; Li, Guoyu; Dautoras, Dominykas; Sarker, Jagodish C.; Keat, Terng Tor; Hicks, Thomas; Hogarth, Graeme; Pugh, David","A revised understanding of the speciation of gold(III) dithiocarbamate complexes in solution.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7627","7640","10.1039/d5dt00240k","","x-ray","0.71073","MoKα","","0.0204","0.0191","","","0.0461","0.0466","","","","","","1.04","","","","has coordinates","300824","2025-07-06","16:02:43",""
"7718364","11.339","0.006","29.542","0.016","6.845","0.004","90","","100.381","0.014","90","","2255","2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","CrDAFO","","- C26 H12 Cr N4 O6 -","- C26 H12 Cr N4 O6 -","- C104 H48 Cr4 N16 O24 -","4","1","","Anand, Aman; Regina, Anitta; Jalwal, Sachin; Prodhan, Soumojyati; Sil, Debangsu; Paranjothy, Manikandan; Chakraborty, Subrata","Chromium catalyzed acceptorless dehydrogenative (cross)coupling of primary amines to secondary imines.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6432","6442","10.1039/d4dt03460k","","","0.71073","MoKα","","0.2638","0.103","","","0.1395","0.1915","","","","","","1.034","","","","has coordinates","300838","2025-07-06","16:09:40",""
"7718365","6.9252","0.0011","12.898","0.002","15.288","0.003","90","","90.937","0.005","90","","1365.4","0.4","150","","150","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C15 H6 Cr N2 O5 -","- C15 H6 Cr N2 O5 -","- C60 H24 Cr4 N8 O20 -","4","1","","Anand, Aman; Regina, Anitta; Jalwal, Sachin; Prodhan, Soumojyati; Sil, Debangsu; Paranjothy, Manikandan; Chakraborty, Subrata","Chromium catalyzed acceptorless dehydrogenative (cross)coupling of primary amines to secondary imines.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6432","6442","10.1039/d4dt03460k","","","0.71073","MoKα","","0.0298","0.0272","","","0.0717","0.0736","","","","","","1.082","","","","has coordinates","300838","2025-07-06","16:09:41",""
"7718366","7.1182","0.0003","10.1195","0.0005","18.3253","0.0009","89.6056","0.0014","88.8595","0.0013","89.3333","0.0014","1319.64","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Phenanthridinium 6-tribromoborate","","- C13 H9 B Br3 N -","- C13 H9 B Br3 N -","- C52 H36 B4 Br12 N4 -","4","2","","Kuo, Yu-Tsen; Yao, Chia-Yu; Liu, Yi-Hung; Cheng, Mu-Jeng; Farrell, Jeffrey M.","C-C bond-forming reactions of 2-isocyanobiphenyl·BX<sub>3</sub> adducts: spontaneous construction of polycyclic heteroaromatics.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7189","7193","10.1039/d5dt00210a","","","1.54178","CuKα","","0.0265","0.0261","","","0.0692","0.0696","","","","","","1.071","","","","has coordinates","300932","2025-07-06","16:47:03",""
"7718367","9.3124","0.0006","9.8992","0.0006","14.9871","0.0008","90","","98.038","0.002","90","","1368.02","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-isocyanobiphenyl?boron trichloride","","- C13 H9 B Cl3 N -","- C13 H9 B Cl3 N -","- C52 H36 B4 Cl12 N4 -","4","1","","Kuo, Yu-Tsen; Yao, Chia-Yu; Liu, Yi-Hung; Cheng, Mu-Jeng; Farrell, Jeffrey M.","C-C bond-forming reactions of 2-isocyanobiphenyl·BX<sub>3</sub> adducts: spontaneous construction of polycyclic heteroaromatics.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7189","7193","10.1039/d5dt00210a","","","0.71073","MoKα","","0.0371","0.0317","","","0.0863","0.0917","","","","","","1.031","","","","has coordinates","300932","2025-07-06","16:47:03",""
"7718368","9.0581","0.0004","10.2611","0.0005","15.6575","0.0007","90","","96.2352","0.0013","90","","1446.69","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-isocyanobiphenyl?boron tribromide","","- C13 H9 B Br3 N -","- C13 H9 B Br3 N -","- C52 H36 B4 Br12 N4 -","4","1","","Kuo, Yu-Tsen; Yao, Chia-Yu; Liu, Yi-Hung; Cheng, Mu-Jeng; Farrell, Jeffrey M.","C-C bond-forming reactions of 2-isocyanobiphenyl·BX<sub>3</sub> adducts: spontaneous construction of polycyclic heteroaromatics.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7189","7193","10.1039/d5dt00210a","","","1.54178","CuKα","","0.0244","0.0227","","","0.0587","0.0591","","","","","","1.066","","","","has coordinates","300932","2025-07-06","16:47:03",""
"7718369","16.4478","0.0006","10.7938","0.0004","13.9976","0.0005","90","","90.3459","0.0013","90","","2485.01","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 B2 Cl6 N2 -","- C26 H16 B2 Cl6 N2 -","- C104 H64 B8 Cl24 N8 -","4","1","","Kuo, Yu-Tsen; Yao, Chia-Yu; Liu, Yi-Hung; Cheng, Mu-Jeng; Farrell, Jeffrey M.","C-C bond-forming reactions of 2-isocyanobiphenyl·BX<sub>3</sub> adducts: spontaneous construction of polycyclic heteroaromatics.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7189","7193","10.1039/d5dt00210a","","","0.71073","MoKα","","0.0349","0.0313","","","0.0832","0.0863","","","","","","1.051","","","","has coordinates","300932","2025-07-06","16:47:03",""
"7718370","17.556","0.0006","13.5459","0.0005","10.4412","0.0003","90","","90","","90","","2483.04","0.14","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Phenanthridinium 6-trichloroborate","","- C13 H9 B Cl3 N -","- C13 H9 B Cl3 N -","- C104 H72 B8 Cl24 N8 -","8","2","","Kuo, Yu-Tsen; Yao, Chia-Yu; Liu, Yi-Hung; Cheng, Mu-Jeng; Farrell, Jeffrey M.","C-C bond-forming reactions of 2-isocyanobiphenyl·BX<sub>3</sub> adducts: spontaneous construction of polycyclic heteroaromatics.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7189","7193","10.1039/d5dt00210a","","","1.54178","CuKα","","0.085","0.0847","","","0.2433","0.2434","","","","","","1.378","","","","has coordinates","300932","2025-07-06","16:47:03",""
"7718371","8.5624","0.0003","10.9109","0.0004","16.6083","0.0006","90","","93.576","0.0015","90","","1548.58","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-isocyanobiphenyl?boron triiodide","","- C13 H9 B I3 N -","- C13 H9 B I3 N -","- C52 H36 B4 I12 N4 -","4","1","","Kuo, Yu-Tsen; Yao, Chia-Yu; Liu, Yi-Hung; Cheng, Mu-Jeng; Farrell, Jeffrey M.","C-C bond-forming reactions of 2-isocyanobiphenyl·BX<sub>3</sub> adducts: spontaneous construction of polycyclic heteroaromatics.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7189","7193","10.1039/d5dt00210a","","","0.71073","MoKα","","0.0219","0.02","","","0.0756","0.0805","","","","","","0.687","","","","has coordinates","300932","2025-07-06","16:47:03",""
"7718372","9.7914","0.0006","10.8546","0.0006","14.0091","0.0008","90","","103.132","0.0019","90","","1449.97","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Phenanthridinium 6-triiodoborate","","- C13 H9 B I3 N -","- C13 H9 B I3 N -","- C52 H36 B4 I12 N4 -","4","1","","Kuo, Yu-Tsen; Yao, Chia-Yu; Liu, Yi-Hung; Cheng, Mu-Jeng; Farrell, Jeffrey M.","C-C bond-forming reactions of 2-isocyanobiphenyl·BX<sub>3</sub> adducts: spontaneous construction of polycyclic heteroaromatics.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7189","7193","10.1039/d5dt00210a","","","0.71073","MoKα","","0.0249","0.0241","","","0.0958","0.0978","","","","","","0.858","","","","has coordinates","300932","2025-07-06","16:47:03",""
"7718373","9.2042","0.0007","9.2118","0.0007","12.363","0.0009","99.783","0.002","99.239","0.001","119.037","0.002","866.47","0.11","200","2","200","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Cu2 I2 N4 S -","- C13 H12 Cu2 I2 N4 S -","- C26 H24 Cu4 I4 N8 S2 -","2","1","","Huang, Huilin; Yang, Qiong; Yao, Kun; Geng, Wenchao; Jing, Xu","Visible-light harvesting 2D copper-cluster-based MOFs as efficient ROS generators for selective oxidation of amines.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6015","6019","10.1039/d5dt00120j","","","0.71073","MoKα","","0.042","0.0307","","","0.0612","0.0648","","","","","","1.021","","","","has coordinates","300907","2025-07-06","16:36:59",""
"7718374","8.7339","0.0003","8.7339","0.0003","12.1915","0.0009","90","","90","","120","","805.39","0.07","273.15","","273.15","","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- Cs2 H9 N3 O13 S4 -","- Cs2 H9 N3 O13 S4 -","- Cs4 H18 N6 O26 S8 -","2","0.166667","","Ji, Yun; Zhang, Huili; Wen, Xin; Chen, Jindong; Yang, Guangsai; Yan, Yuchen; Peng, Guang; Ye, Ning","K2SO4(NH3SO3)2 and Cs2SO4(NH3SO3)3: two deep-UV transparent sulfamate-sulfates with moderate birefringence","Dalton Transactions","2025","54","16","6596","6602","10.1039/D5DT00401B","","","0.71073","MoKα","","0.052","0.0363","","","0.0829","0.0888","","","","","","1.06","","","","has coordinates,has disorder","300831","2025-07-06","16:05:59",""
"7718375","5.6647","0.0005","18.6566","0.0014","10.6598","0.0007","90","","91.113","0.003","90","","1126.36","0.15","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H6 K2 N2 O10 S3 -","- H6 K2 N2 O10 S3 -","- H24 K8 N8 O40 S12 -","4","1","","Ji, Yun; Zhang, Huili; Wen, Xin; Chen, Jindong; Yang, Guangsai; Yan, Yuchen; Peng, Guang; Ye, Ning","K2SO4(NH3SO3)2 and Cs2SO4(NH3SO3)3: two deep-UV transparent sulfamate-sulfates with moderate birefringence","Dalton Transactions","2025","54","16","6596","6602","10.1039/D5DT00401B","","","0.71073","MoKα","","0.073","0.0591","","","0.155","0.1638","","","","","","1.059","","","","has coordinates","300831","2025-07-06","16:06:00",""
"7718376","34.1212","0.0007","17.7347","0.0003","16.664","0.0003","90","","101.54","0.002","90","","9880","0.3","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H141 Ir8 N16 O2 -","- C96 H141 Ir8 N16 O2 -","- C384 H564 Ir32 N64 O8 -","4","1","","Yan, Xuechao; Ji, Shu-Xiao; Zhang, Shengyuan; Wang, Qianru; Guo, Jianping; Chen, Ping; Xi, Zhenfeng; Wei, Junnian","Synthesis and characterization of <sup>15</sup>N-labeled tetranuclear Ir complexes <i>via</i> Li<sub>2</sub>C<sup>15</sup>N<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6246","6251","10.1039/d5dt00644a","","x-ray","0.71073","MoKα","","0.0553","0.0351","","","0.0668","0.0734","","","","","","1.03","","","","has coordinates","300910","2025-07-06","16:37:57",""
"7718377","13.2902","0.0004","20.7356","0.0006","22.0373","0.0006","68.321","0.003","85.575","0.002","75.402","0.003","5460.4","0.3","179.99","0.1","179.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C102.5 H138 F6 Ir8 N16 O6 S2 -","- C102.5 H138 F6 Ir8 N16 O6 S2 -","- C205 H276 F12 Ir16 N32 O12 S4 -","2","1","","Yan, Xuechao; Ji, Shu-Xiao; Zhang, Shengyuan; Wang, Qianru; Guo, Jianping; Chen, Ping; Xi, Zhenfeng; Wei, Junnian","Synthesis and characterization of <sup>15</sup>N-labeled tetranuclear Ir complexes <i>via</i> Li<sub>2</sub>C<sup>15</sup>N<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6246","6251","10.1039/d5dt00644a","","x-ray","0.71073","MoKα","","0.0507","0.0339","","","0.0781","0.0837","","","","","","1.049","","","","has coordinates,has disorder","300910","2025-07-06","16:37:58",""
"7718378","19.3731","0.0002","19.402","0.0002","20.8027","0.0002","90","","90","","90","","7819.25","0.14","179.99","0.1","179.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C76 H72 B F24 Ir4 N8 -","- C76 H72 B F24 Ir4 N8 -","- C304 H288 B4 F96 Ir16 N32 -","4","1","","Yan, Xuechao; Ji, Shu-Xiao; Zhang, Shengyuan; Wang, Qianru; Guo, Jianping; Chen, Ping; Xi, Zhenfeng; Wei, Junnian","Synthesis and characterization of <sup>15</sup>N-labeled tetranuclear Ir complexes <i>via</i> Li<sub>2</sub>C<sup>15</sup>N<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6246","6251","10.1039/d5dt00644a","","x-ray","0.71073","MoKα","","0.0308","0.025","","","0.0517","0.054","","","","","","1.056","","","","has coordinates","300910","2025-07-06","16:37:58",""
"7718379","9.6787","0.0011","9.6681","0.0006","7.0626","0.0008","90.033","0.002","88.478","0.004","119.904","0.003","572.63","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- Ca5 Co0.4 O12.94 V3 -","- Ca5 Co0.3954 O12.936 V3 -","- Ca10 Co0.7908 O25.872 V6 -","2","1","","Sharifullin, Timur Z.; Vasiliev, Alexander V.; Dinnebier, Robert E.; Kremer, Reinhard K.; Lyssenko, Konstantin A.; Bezzubov, Stanislav I.; Huang, Shuqi; Shavrin, Ivan O.; Eliseev, Andrey A.; Tsymbarenko, Dmitry M.; Kazin, Pavel E.","Dioxocobaltate(II)-anion in calcium vanadate apatite: partial ordering, magnetic anisotropy, and slow relaxation of magnetization.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6211","6223","10.1039/d5dt00059a","","","0.71073","MoKα","","0.0592","0.0484","","","0.1099","0.1187","","","","","","1.063","","","","has coordinates","300915","2025-07-06","16:39:53",""
"7718380","7.2149","0.0009","8.6311","0.0015","12.702","0.002","98.96","0.015","101.239","0.014","112.587","0.015","692.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cl4 Cu2 N10 O8 -","- C18 H22 Cl4 Cu2 N10 O8 -","- C18 H22 Cl4 Cu2 N10 O8 -","1","0.5","","Gilbert, Ugo; Mu, Xiao; Lam, Yan Yu Sarah; De Leener, Gaël; Schoenauen, Martin; Bottin, Maëlle; Robeyns, Koen; Luhmer, Michel; Robiette, Raphaël; Singleton, Michael L.","Influence of imidazole functionalization on the properties of small molecule models of the LPMO active site.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6174","6187","10.1039/d4dt03424d","","","0.71073","MoKα","","0.0295","0.0273","","","0.0736","0.0747","","","","","","1.05","","","","has coordinates,has disorder","300919","2025-07-06","16:42:08",""
"7718381","7.3349","0.0009","8.8634","0.0012","12.9399","0.0012","106.261","0.01","90.179","0.008","109.045","0.012","759.24","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 Cl4 Cu2 N10 O8 -","- C20 H26 Cl4 Cu2 N10 O8 -","- C20 H26 Cl4 Cu2 N10 O8 -","1","0.5","","Gilbert, Ugo; Mu, Xiao; Lam, Yan Yu Sarah; De Leener, Gaël; Schoenauen, Martin; Bottin, Maëlle; Robeyns, Koen; Luhmer, Michel; Robiette, Raphaël; Singleton, Michael L.","Influence of imidazole functionalization on the properties of small molecule models of the LPMO active site.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6174","6187","10.1039/d4dt03424d","","","0.71073","MoKα","","0.0418","0.0371","","","0.0951","0.0979","","","","","","1.089","","","","has coordinates,has disorder","300919","2025-07-06","16:42:08",""
"7718382","7.2615","0.0009","16.4041","0.0017","16.7373","0.0016","90","","90","","90","","1993.7","0.4","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H21 Cl2 Cu N5 O10 -","- C11 H21 Cl2 Cu N5 O10 -","- C44 H84 Cl8 Cu4 N20 O40 -","4","1","","Gilbert, Ugo; Mu, Xiao; Lam, Yan Yu Sarah; De Leener, Gaël; Schoenauen, Martin; Bottin, Maëlle; Robeyns, Koen; Luhmer, Michel; Robiette, Raphaël; Singleton, Michael L.","Influence of imidazole functionalization on the properties of small molecule models of the LPMO active site.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6174","6187","10.1039/d4dt03424d","","","0.71073","MoKα","","0.1136","0.0802","","","0.1801","0.1975","","","","","","1.092","","","","has coordinates,has disorder","300919","2025-07-06","16:42:08",""
"7718383","29.258","0.002","7.1874","0.0003","19.1948","0.0019","90","","99.36","0.01","90","","3982.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 Cl2 Cu N4 O9 -","- C13 H20 Cl2 Cu N4 O9 -","- C104 H160 Cl16 Cu8 N32 O72 -","8","2","","Gilbert, Ugo; Mu, Xiao; Lam, Yan Yu Sarah; De Leener, Gaël; Schoenauen, Martin; Bottin, Maëlle; Robeyns, Koen; Luhmer, Michel; Robiette, Raphaël; Singleton, Michael L.","Influence of imidazole functionalization on the properties of small molecule models of the LPMO active site.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6174","6187","10.1039/d4dt03424d","","","0.71073","MoKα","","0.079","0.0705","","","0.1593","0.1638","","","","","","1.112","","","","has coordinates,has disorder","300919","2025-07-06","16:42:08",""
"7718384","6.3467","0.0008","17.642","0.002","13.4662","0.0012","90","","90","","90","","1507.8","0.3","297","2","297","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H13 Cl2 Cu N5 O4 -","- C9 H13 Cl2 Cu N5 O4 -","- C36 H52 Cl8 Cu4 N20 O16 -","4","1","","Gilbert, Ugo; Mu, Xiao; Lam, Yan Yu Sarah; De Leener, Gaël; Schoenauen, Martin; Bottin, Maëlle; Robeyns, Koen; Luhmer, Michel; Robiette, Raphaël; Singleton, Michael L.","Influence of imidazole functionalization on the properties of small molecule models of the LPMO active site.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6174","6187","10.1039/d4dt03424d","","","0.71073","MoKα","","0.0769","0.0595","","","0.1541","0.166","","","","","","1.057","","","","has coordinates","300919","2025-07-06","16:42:08",""
"7718385","7.5005","0.0015","8.931","0.002","12.916","0.002","80.624","0.017","73.129","0.016","69.64","0.02","774.4","0.3","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H30 Cl4 Cu2 N10 O8 -","- C20 H30 Cl4 Cu2 N10 O8 -","- C20 H30 Cl4 Cu2 N10 O8 -","1","0.5","","Gilbert, Ugo; Mu, Xiao; Lam, Yan Yu Sarah; De Leener, Gaël; Schoenauen, Martin; Bottin, Maëlle; Robeyns, Koen; Luhmer, Michel; Robiette, Raphaël; Singleton, Michael L.","Influence of imidazole functionalization on the properties of small molecule models of the LPMO active site.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6174","6187","10.1039/d4dt03424d","","","0.71073","MoKα","","0.0479","0.0422","","","0.1098","0.113","","","","","","1.051","","","","has coordinates,has disorder","300919","2025-07-06","16:42:08",""
"7718386","12.8007","0.0009","8.0922","0.0004","15.2526","0.001","90","","108.525","0.007","90","","1498.09","0.17","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Cl2 Cu N4 O4 -","- C11 H14 Cl2 Cu N4 O4 -","- C44 H56 Cl8 Cu4 N16 O16 -","4","1","","Gilbert, Ugo; Mu, Xiao; Lam, Yan Yu Sarah; De Leener, Gaël; Schoenauen, Martin; Bottin, Maëlle; Robeyns, Koen; Luhmer, Michel; Robiette, Raphaël; Singleton, Michael L.","Influence of imidazole functionalization on the properties of small molecule models of the LPMO active site.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6174","6187","10.1039/d4dt03424d","","","0.71073","MoKα","","0.034","0.0303","","","0.0747","0.0767","","","","","","1.069","","","","has coordinates,has disorder","300919","2025-07-06","16:42:08",""
"7718387","33.255","0.0011","7.3015","0.0003","23.7923","0.0008","90","","99.704","0.003","90","","5694.4","0.4","297","2","297","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H54 Cl2 Cu2 F12 N10 P2 -","- C56 H54 Cl2 Cu2 F12 N10 P2 -","- C224 H216 Cl8 Cu8 F48 N40 P8 -","4","0.5","","Gilbert, Ugo; Mu, Xiao; Lam, Yan Yu Sarah; De Leener, Gaël; Schoenauen, Martin; Bottin, Maëlle; Robeyns, Koen; Luhmer, Michel; Robiette, Raphaël; Singleton, Michael L.","Influence of imidazole functionalization on the properties of small molecule models of the LPMO active site.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6174","6187","10.1039/d4dt03424d","","","0.71073","MoKα","","0.0558","0.0421","","","0.1061","0.1129","","","","","","1.039","","","","has coordinates,has disorder","300919","2025-07-06","16:42:08",""
"7718388","16.3033","0.0002","17.2331","0.0002","17.6226","0.0002","90","","105.833","0.001","90","","4763.34","0.1","100","0.1","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H72.7 N3 P2 Sc Si2 -","- C42 H72.698 N3 P2 Sc Si2 -","- C168 H290.792 N12 P8 Sc4 Si8 -","4","1","","Knott, Jackson P.; Hsiang, Shou-Jen; Hayes, Paul G.","Alkylamido lutetium complexes as prospective lutetium imido precursors: synthesis, characterization and ligand design.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6261","6273","10.1039/d5dt00338e","","","1.54184","CuKα","","0.0466","0.0414","","","0.1064","0.111","","","","","","1.055","","","","has coordinates,has disorder","300921","2025-07-06","16:43:12",""
"7718389","11.0912","0.0001","24.3906","0.0002","11.8532","0.0001","90","","108.534","0.001","90","","3040.23","0.05","100","0.2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H45 N7 P2 -","- C28 H45 N7 P2 -","- C112 H180 N28 P8 -","4","1","","Knott, Jackson P.; Hsiang, Shou-Jen; Hayes, Paul G.","Alkylamido lutetium complexes as prospective lutetium imido precursors: synthesis, characterization and ligand design.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6261","6273","10.1039/d5dt00338e","","","1.54184","CuKα","","0.0444","0.0397","","","0.1023","0.1052","","","","","","1.105","","","","has coordinates","300921","2025-07-06","16:43:12",""
"7718390","11.2152","0.0003","17.6224","0.0005","24.0711","0.0006","90","","92.481","0.002","90","","4752.9","0.2","100.02","0.1","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H74 Lu N3 P2 Si2 -","- C42 H74 Lu N3 P2 Si2 -","- C168 H296 Lu4 N12 P8 Si8 -","4","1","","Knott, Jackson P.; Hsiang, Shou-Jen; Hayes, Paul G.","Alkylamido lutetium complexes as prospective lutetium imido precursors: synthesis, characterization and ligand design.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6261","6273","10.1039/d5dt00338e","","","0.71073","MoKα","","0.0557","0.0369","","","0.0821","0.0888","","","","","","1.036","","","","has coordinates","300921","2025-07-06","16:43:12",""
"7718391","14.9674","0.0001","17.0275","0.0001","21.6641","0.0001","90","","95.222","0.001","90","","5498.34","0.06","110.3","0.4","110.3","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C116 H176 Lu2 N10 P4 -","- C116 H176 Lu2 N10 P4 -","- C232 H352 Lu4 N20 P8 -","2","0.5","","Knott, Jackson P.; Hsiang, Shou-Jen; Hayes, Paul G.","Alkylamido lutetium complexes as prospective lutetium imido precursors: synthesis, characterization and ligand design.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6261","6273","10.1039/d5dt00338e","","","1.54184","CuKα","","0.0323","0.0297","","","0.0742","0.0754","","","","","","1.099","","","","has coordinates","300921","2025-07-06","16:43:12",""
"7718392","11.59705","0.00009","20.55239","0.00015","11.79321","0.0001","90","","113.289","0.0009","90","","2581.85","0.04","107.75","0.15","107.75","0.15","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H81 Lu N4 P2 Si -","- C50 H81 Lu N4 P2 Si -","- C100 H162 Lu2 N8 P4 Si2 -","2","1","","Knott, Jackson P.; Hsiang, Shou-Jen; Hayes, Paul G.","Alkylamido lutetium complexes as prospective lutetium imido precursors: synthesis, characterization and ligand design.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6261","6273","10.1039/d5dt00338e","","x-ray","1.54184","CuKα","","0.0308","0.0298","","","0.0755","0.076","","","","","","1.089","","","","has coordinates","300921","2025-07-06","16:43:12",""
"7718393","19.5525","0.0005","13.342","0.0003","30.895","0.0007","90","","99.413","0.002","90","","7951","0.3","100","0.3","100","0.3","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H52 Cl2 Lu N7 P2 -","- C35 H52 Cl2 Lu N7 P2 -","- C280 H416 Cl16 Lu8 N56 P16 -","8","1","","Knott, Jackson P.; Hsiang, Shou-Jen; Hayes, Paul G.","Alkylamido lutetium complexes as prospective lutetium imido precursors: synthesis, characterization and ligand design.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6261","6273","10.1039/d5dt00338e","","","0.71073","MoKα","","0.0286","0.0223","","","0.0508","0.0527","","","","","","1.023","","","","has coordinates","300921","2025-07-06","16:43:12",""
"7718394","12.7424","0.0001","14.6626","0.0001","20.5619","0.0002","74.451","0.001","89.278","0.001","71.267","0.001","3493.66","0.06","110.9","0.2","110.9","","","","","","","","","5","P -1","-P 1","2","","","","- C79 H100 Lu N5 P2 -","- C72 H84 Lu N5 P2 -","- C144 H168 Lu2 N10 P4 -","2","1","","Knott, Jackson P.; Hsiang, Shou-Jen; Hayes, Paul G.","Alkylamido lutetium complexes as prospective lutetium imido precursors: synthesis, characterization and ligand design.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6261","6273","10.1039/d5dt00338e","","","1.54184","CuKα","","0.0321","0.0311","","","0.0858","0.0865","","","","","","1.114","","","","has coordinates","300921","2025-07-06","16:43:12",""
"7718395","12.31417","0.00013","21.4332","0.0002","24.4686","0.0002","110.228","0.001","104.407","0.001","92.0411","0.0009","5816.38","0.11","107.3","0.3","107.3","","","","","","","","","6","P -1","-P 1","2","","","","- C121 H171 Lu2 N8 P4 Si2 -","- C114 H158 Lu2 N8 P4 Si2 -","- C228 H316 Lu4 N16 P8 Si4 -","2","1","","Knott, Jackson P.; Hsiang, Shou-Jen; Hayes, Paul G.","Alkylamido lutetium complexes as prospective lutetium imido precursors: synthesis, characterization and ligand design.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6261","6273","10.1039/d5dt00338e","","","1.54184","CuKα","","0.0636","0.0584","","","0.1569","0.1627","","","","","","1.058","","","","has coordinates","300921","2025-07-06","16:43:12",""
"7718396","10.4259","0.0016","11.4821","0.0019","24.012","0.004","90.896","0.005","96.293","0.005","115.04","0.005","2582.5","0.7","296","2","296","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H30 Dy F12 N6 O3 -","- C58 H30 Dy F9 N6 O6 -","- C116 H60 Dy2 F18 N12 O12 -","2","1","","Wang, Xuelian; Zeng, Zhaopeng; Li, Mengyuan; Zhang, Shuman; Qin, Xuhui; Cen, Peipei; Ding, Runmei; Tian, Danian; Liu, Xiangyu","A difunctional Dy(III) complex exhibiting single-molecule magnet behaviour and fluorescent cellular imaging.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7049","7055","10.1039/d5dt00559k","","","0.71073","MoKα","","0.0436","0.0349","","","0.0872","0.0925","","","","","","1.022","","","","has coordinates","300813","2025-07-06","15:53:31",""
"7718397","12.6619","0.0005","18.7236","0.0008","22.661","0.001","90","","91.456","0.002","90","","5370.7","0.4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C48 H31 B Cl2 F20 I N4 O6 Yb -","- C48 H31 B Cl2 F19.9994 I N4 O6 Yb -","- C192 H124 B4 Cl8 F79.9976 I4 N16 O24 Yb4 -","4","1","","Senevirathne, Priyangika P.; He, Hongshan; Semeniuc, Radu; Wheeler, Kraig","Dual emissive ytterbium(III) complexes with π-conjugated BODIPY-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6419","6431","10.1039/d5dt00354g","","","1.54178","CuKα","","0.079","0.0475","","","0.1022","0.1158","","","","","","1.022","","","","has coordinates,has disorder","300839","2025-07-06","16:09:58",""
"7718398","10.8095","0.0003","10.2857","0.0003","16.6032","0.0005","90","","92.852","0.001","90","","1843.71","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 Fe N3 O -","- C22 H21 Fe N3 O -","- C88 H84 Fe4 N12 O4 -","4","1","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Changing the properties of monodentate and P,C-chelating ferrocenyl-substituted 1,2,3-triazol-5-ylidene ligands through an inserted carbonyl moiety.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6563","6575","10.1039/d5dt00545k","","","0.71073","MoKα","","0.0253","0.0246","","","0.0676","0.0681","","","","","","1.043","","","","has coordinates","300835","2025-07-06","16:08:11",""
"7718399","17.7954","0.0004","11.9108","0.0003","28.6233","0.0008","90","","98.646","0.001","90","","5998","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 B Fe N3 O P -","- C34 H33 B Fe N3 O P -","- C272 H264 B8 Fe8 N24 O8 P8 -","8","2","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Changing the properties of monodentate and P,C-chelating ferrocenyl-substituted 1,2,3-triazol-5-ylidene ligands through an inserted carbonyl moiety.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6563","6575","10.1039/d5dt00545k","","","0.71073","MoKα","","0.0505","0.0421","","","0.0941","0.0979","","","","","","1.103","","","","has coordinates","300835","2025-07-06","16:08:14",""
"7718400","11.1673","0.0003","14.5533","0.0003","15.2094","0.0004","85.632","0.001","71.016","0.001","87.775","0.001","2330.35","0.1","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H52 B Cu F4 Fe2 N6 O3 -","- C49 H52 B Cu F4 Fe2 N6 O3 -","- C98 H104 B2 Cu2 F8 Fe4 N12 O6 -","2","1","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Changing the properties of monodentate and P,C-chelating ferrocenyl-substituted 1,2,3-triazol-5-ylidene ligands through an inserted carbonyl moiety.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6563","6575","10.1039/d5dt00545k","","","0.71073","MoKα","","0.0279","0.0259","","","0.0674","0.0687","","","","","","1.041","","","","has coordinates","300835","2025-07-06","16:08:14",""
"7718401","10.4177","0.0005","11.2424","0.0005","17.2508","0.0007","75.92","0.002","80.003","0.002","73.492","0.002","1867.04","0.15","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H39 Cl2 Fe N3 O P Pd -","- C35 H32 Cl2 Fe N3 O P Pd -","- C70 H64 Cl4 Fe2 N6 O2 P2 Pd2 -","2","1","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Changing the properties of monodentate and P,C-chelating ferrocenyl-substituted 1,2,3-triazol-5-ylidene ligands through an inserted carbonyl moiety.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6563","6575","10.1039/d5dt00545k","","","0.71073","MoKα","","0.0209","0.0203","","","0.0482","0.0485","","","","","","1.114","","","","has coordinates","300835","2025-07-06","16:08:14",""
"7718402","11.0442","0.0006","14.9186","0.0008","15.3165","0.0009","92.692","0.002","110.774","0.002","92.507","0.002","2352","0.2","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C47 H48 Au B Cl2 F4 Fe2 N6 O2 -","- C47 H48 Au B Cl2 F4 Fe2 N6 O2 -","- C94 H96 Au2 B2 Cl4 F8 Fe4 N12 O4 -","2","1","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Changing the properties of monodentate and P,C-chelating ferrocenyl-substituted 1,2,3-triazol-5-ylidene ligands through an inserted carbonyl moiety.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6563","6575","10.1039/d5dt00545k","","","0.71073","MoKα","","0.0164","0.0158","","","0.0389","0.0391","","","","","","1.064","","","","has coordinates","300835","2025-07-06","16:08:14",""
"7718403","7.2263","0.0005","11.2225","0.0008","14.0092","0.001","103.511","0.002","92.988","0.002","91.508","0.002","1102.3","0.14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H23 Au Cl Fe N3 O -","- C23 H23 Au Cl Fe N3 O -","- C46 H46 Au2 Cl2 Fe2 N6 O2 -","2","1","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Changing the properties of monodentate and P,C-chelating ferrocenyl-substituted 1,2,3-triazol-5-ylidene ligands through an inserted carbonyl moiety.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6563","6575","10.1039/d5dt00545k","","","0.71073","MoKα","","0.011","0.0109","","","0.0273","0.0273","","","","","","1.142","","","","has coordinates","300835","2025-07-06","16:08:14",""
"7718404","10.5116","0.0005","15.8771","0.0007","14.3813","0.0007","90","","107.381","0.002","90","","2290.56","0.19","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H25 B F4 Fe N3 O1.5 -","- C23 H25 B F4 Fe N3 O1.5 -","- C92 H100 B4 F16 Fe4 N12 O6 -","4","2","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Changing the properties of monodentate and P,C-chelating ferrocenyl-substituted 1,2,3-triazol-5-ylidene ligands through an inserted carbonyl moiety.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6563","6575","10.1039/d5dt00545k","","","0.71073","MoKα","","0.0258","0.0254","","","0.0663","0.0666","","","","","","1.033","","","","has coordinates,has disorder","300835","2025-07-06","16:08:14",""
"7718405","13.2238","0.0004","9.2639","0.0004","17.9322","0.0007","90","","108.372","0.002","90","","2084.8","0.14","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 B Fe O P -","- C25 H24 B Fe O P -","- C100 H96 B4 Fe4 O4 P4 -","4","1","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Changing the properties of monodentate and P,C-chelating ferrocenyl-substituted 1,2,3-triazol-5-ylidene ligands through an inserted carbonyl moiety.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6563","6575","10.1039/d5dt00545k","","","1.54178","CuKα","","0.0493","0.0437","","","0.1108","0.1152","","","","","","1.054","","","","has coordinates","300835","2025-07-06","16:08:14",""
"7718406","7.3196","0.0003","11.0627","0.0003","13.891","0.0006","106.725","0.001","91.62","0.001","92.032","0.001","1075.69","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H23 Cl Cu Fe N3 O -","- C23 H23 Cl Cu Fe N3 O -","- C46 H46 Cl2 Cu2 Fe2 N6 O2 -","2","1","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Changing the properties of monodentate and P,C-chelating ferrocenyl-substituted 1,2,3-triazol-5-ylidene ligands through an inserted carbonyl moiety.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6563","6575","10.1039/d5dt00545k","","","0.71073","MoKα","","0.0295","0.0286","","","0.0714","0.0719","","","","","","1.131","","","","has coordinates","300835","2025-07-06","16:08:14",""
"7718407","11.0106","0.0007","15.0435","0.0009","15.2739","0.001","92.074","0.002","110.654","0.002","93.047","0.002","2359.9","0.3","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C47 H48 Ag B Cl2 F4 Fe2 N6 O2 -","- C47 H48 Ag B Cl2 F4 Fe2 N6 O2 -","- C94 H96 Ag2 B2 Cl4 F8 Fe4 N12 O4 -","2","1","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Changing the properties of monodentate and P,C-chelating ferrocenyl-substituted 1,2,3-triazol-5-ylidene ligands through an inserted carbonyl moiety.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6563","6575","10.1039/d5dt00545k","","","0.71073","MoKα","","0.0219","0.0211","","","0.0533","0.0537","","","","","","1.059","","","","has coordinates","300835","2025-07-06","16:08:14",""
"7718408","10.1356","0.0004","13.57","0.0007","13.0105","0.0006","90","","95.561","0.002","90","","1781.04","0.14","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","copper chloride complex with bis(t-butyl)(2-pyridyl)phosphine","","- C26 H44 Cl4 Cu4 N2 P2 -","- C26 H44 Cl4 Cu4 N2 P2 -","- C52 H88 Cl8 Cu8 N4 P4 -","2","0.5","","Baranov, Andrey Yu; Doronina, Evgeniya P.; Bagryanskaya, Irina Yu; Metlina, Daria A.; Rakhmanova, Mariana I.; Taydakov, Ilya V.; Artem'ev, Alexander V.","Brightly emissive octahedral Cu<sub>4</sub>X<sub>4</sub> clusters showing polymorphic-dependent and mechanochromic phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7014","7022","10.1039/d5dt00103j","","","0.71073","MoKα","","0.0656","0.042","","","0.0993","0.1078","","","","","","1.012","","","","has coordinates,has disorder","300808","2025-07-06","15:50:24",""
"7718409","9.4354","0.0015","14.921","0.002","13.4326","0.0019","90","","102.28","0.005","90","","1847.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","copper iodide complex with bis(2-pyridyl)-t-butylphosphine (polymorph 1)","","- C28 H34 Cu4 I4 N4 P2 -","- C28 H34 Cu4 I4 N4 P2 -","- C56 H68 Cu8 I8 N8 P4 -","2","0.5","","Baranov, Andrey Yu; Doronina, Evgeniya P.; Bagryanskaya, Irina Yu; Metlina, Daria A.; Rakhmanova, Mariana I.; Taydakov, Ilya V.; Artem'ev, Alexander V.","Brightly emissive octahedral Cu<sub>4</sub>X<sub>4</sub> clusters showing polymorphic-dependent and mechanochromic phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7014","7022","10.1039/d5dt00103j","","","0.71073","MoKα","","0.0412","0.0335","","","0.0801","0.0852","","","","","","1.001","","","","has coordinates,has disorder","300808","2025-07-06","15:50:25",""
"7718410","8.5122","0.0004","20.4872","0.001","10.3373","0.0006","90","","101.486","0.002","90","","1766.63","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","copper iodide complex with bis(t-butyl)(2-pyridyl)phosphine","","- C26 H44 Cu4 I4 N2 P2 -","- C26 H44 Cu4 I4 N2 P2 -","- C52 H88 Cu8 I8 N4 P4 -","2","0.5","","Baranov, Andrey Yu; Doronina, Evgeniya P.; Bagryanskaya, Irina Yu; Metlina, Daria A.; Rakhmanova, Mariana I.; Taydakov, Ilya V.; Artem'ev, Alexander V.","Brightly emissive octahedral Cu<sub>4</sub>X<sub>4</sub> clusters showing polymorphic-dependent and mechanochromic phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7014","7022","10.1039/d5dt00103j","","","0.71073","MoKα","","0.0321","0.0257","","","0.0732","0.0771","","","","","","1.006","","","","has coordinates","300808","2025-07-06","15:50:25",""
"7718411","11.5262","0.0012","8.8731","0.0009","16.8585","0.0017","90","","97.417","0.004","90","","1709.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","copper chloride complex with bis(2-pyridyl)-t-butylphosphine","","- C28 H34 Cl4 Cu4 N4 P2 -","- C28 H34 Cl4 Cu4 N4 P2 -","- C56 H68 Cl8 Cu8 N8 P4 -","2","0.5","","Baranov, Andrey Yu; Doronina, Evgeniya P.; Bagryanskaya, Irina Yu; Metlina, Daria A.; Rakhmanova, Mariana I.; Taydakov, Ilya V.; Artem'ev, Alexander V.","Brightly emissive octahedral Cu<sub>4</sub>X<sub>4</sub> clusters showing polymorphic-dependent and mechanochromic phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7014","7022","10.1039/d5dt00103j","","","0.71073","MoKα","","0.0449","0.031","","","0.071","0.0767","","","","","","1.022","","","","has coordinates,has disorder","300808","2025-07-06","15:50:25",""
"7718412","13.1156","0.0005","17.7332","0.0008","10.926","0.0004","90","","114.315","0.001","90","","2315.77","0.16","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","copper iodide complex with bis(2-pyridyl)-t-butylphosphine chloroform solvate","","- C30 H36 Cl6 Cu4 I4 N4 P2 -","- C30 H36 Cl6 Cu4 I4 N4 P2 -","- C60 H72 Cl12 Cu8 I8 N8 P4 -","2","0.5","","Baranov, Andrey Yu; Doronina, Evgeniya P.; Bagryanskaya, Irina Yu; Metlina, Daria A.; Rakhmanova, Mariana I.; Taydakov, Ilya V.; Artem'ev, Alexander V.","Brightly emissive octahedral Cu<sub>4</sub>X<sub>4</sub> clusters showing polymorphic-dependent and mechanochromic phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7014","7022","10.1039/d5dt00103j","","","0.71073","MoKα","","0.0479","0.0293","","","0.059","0.066","","","","","","1.041","","","","has coordinates","300808","2025-07-06","15:50:25",""
"7718413","10.4818","0.0004","13.7042","0.0005","13.0297","0.0004","90","","96.236","0.002","90","","1860.57","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","copper bromide complex with bis(t-butyl)(2-pyridyl)phosphine (polymorph 2)","","- C26 H44 Br4 Cu4 N2 P2 -","- C26 H44 Br4 Cu4 N2 P2 -","- C52 H88 Br8 Cu8 N4 P4 -","2","0.5","","Baranov, Andrey Yu; Doronina, Evgeniya P.; Bagryanskaya, Irina Yu; Metlina, Daria A.; Rakhmanova, Mariana I.; Taydakov, Ilya V.; Artem'ev, Alexander V.","Brightly emissive octahedral Cu<sub>4</sub>X<sub>4</sub> clusters showing polymorphic-dependent and mechanochromic phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7014","7022","10.1039/d5dt00103j","","","0.71073","MoKα","","0.0598","0.0345","","","0.0777","0.0874","","","","","","1.009","","","","has coordinates","300808","2025-07-06","15:50:25",""
"7718414","9.9641","0.0003","17.0775","0.0006","20.2829","0.0007","90","","90","","90","","3451.4","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","copper bromide complex with bis(t-butyl)(2-pyridyl)phosphine (polymorph 1)","","- C26 H44 Br4 Cu4 N2 P2 -","- C26 H44 Br4 Cu4 N2 P2 -","- C104 H176 Br16 Cu16 N8 P8 -","4","0.5","","Baranov, Andrey Yu; Doronina, Evgeniya P.; Bagryanskaya, Irina Yu; Metlina, Daria A.; Rakhmanova, Mariana I.; Taydakov, Ilya V.; Artem'ev, Alexander V.","Brightly emissive octahedral Cu<sub>4</sub>X<sub>4</sub> clusters showing polymorphic-dependent and mechanochromic phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7014","7022","10.1039/d5dt00103j","","","0.71073","MoKα","","0.075","0.0353","","","0.0782","0.0992","","","","","","1.048","","","","has coordinates","300808","2025-07-06","15:50:25",""
"7718415","8.9199","0.0006","12.074","0.001","17.731","0.0013","83.025","0.003","84.802","0.003","88.44","0.003","1887.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","copper iodide complex with bis(2-pyridyl)-t-butylphosphine (polymorph 2)","","- C28 H34 Cu4 I4 N4 P2 -","- C28 H34 Cu4 I4 N4 P2 -","- C56 H68 Cu8 I8 N8 P4 -","2","1","","Baranov, Andrey Yu; Doronina, Evgeniya P.; Bagryanskaya, Irina Yu; Metlina, Daria A.; Rakhmanova, Mariana I.; Taydakov, Ilya V.; Artem'ev, Alexander V.","Brightly emissive octahedral Cu<sub>4</sub>X<sub>4</sub> clusters showing polymorphic-dependent and mechanochromic phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7014","7022","10.1039/d5dt00103j","","","0.71073","MoKα","","0.0686","0.0397","","","0.0844","0.0954","","","","","","1.003","","","","has coordinates","300808","2025-07-06","15:50:25",""
"7718416","20.4928","0.0003","14.7259","0.0002","34.2124","0.0006","90","","95.78","0.001","90","","10272","0.3","100","0.1","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H75 Bi Br N3 O0.99 Si2 -","- C50 H75 Bi Br N3 O0.99 Si2 -","- C400 H600 Bi8 Br8 N24 O7.92 Si16 -","8","2","","Goswami, Santu; Sarkar, Subham; Guha Roy, Anisha; Mallick, Dibyendu; Mukherjee, Debabrata","A tridentate and dianionic N-heterocyclic olefin (NHO) with two unsymmetrically-tethered aryloxide sidearms on bismuth: a fortuitous followed by systematic discovery.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8142","8151","10.1039/d5dt00706b","","","1.54184","CuKα","","0.1109","0.0957","","","0.2617","0.274","","","","","","1.05","","","","has coordinates,has disorder","300865","2025-07-06","16:21:52",""
"7718417","10.814","0.0002","13.8767","0.0002","15.9783","0.0003","98.201","0.001","106.435","0.002","99.412","0.001","2223.14","0.07","100.01","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H112 Bi2 I2 N4 O6 -","- C76 H112 Bi2 I2 N4 O6 -","- C76 H112 Bi2 I2 N4 O6 -","1","0.5","","Goswami, Santu; Sarkar, Subham; Guha Roy, Anisha; Mallick, Dibyendu; Mukherjee, Debabrata","A tridentate and dianionic N-heterocyclic olefin (NHO) with two unsymmetrically-tethered aryloxide sidearms on bismuth: a fortuitous followed by systematic discovery.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8142","8151","10.1039/d5dt00706b","","","1.54184","CuKα","","0.0487","0.0458","","","0.123","0.1257","","","","","","1.009","","","","has coordinates","300865","2025-07-06","16:22:02",""
"7718418","14.7082","0.0002","19.7308","0.0002","18.4697","0.0002","90","","102.887","0.001","90","","5224.98","0.11","99.99","0.1","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H138 Bi2 Br4 N8 O2 -","- C104 H138 Bi2 Br4 N8 O2 -","- C208 H276 Bi4 Br8 N16 O4 -","2","0.5","","Goswami, Santu; Sarkar, Subham; Guha Roy, Anisha; Mallick, Dibyendu; Mukherjee, Debabrata","A tridentate and dianionic N-heterocyclic olefin (NHO) with two unsymmetrically-tethered aryloxide sidearms on bismuth: a fortuitous followed by systematic discovery.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8142","8151","10.1039/d5dt00706b","","","1.54184","CuKα","","0.049","0.0447","","","0.1181","0.1227","","","","","","1.035","","","","has coordinates","300865","2025-07-06","16:22:02",""
"7718419","9.7617","0.0001","14.1831","0.0002","20.8728","0.0002","102.676","0.001","91.598","0.001","93.502","0.001","2811.63","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H62 Bi Br N2 O2 -","- C45 H62 Bi Br N2 O2 -","- C90 H124 Bi2 Br2 N4 O4 -","2","1","","Goswami, Santu; Sarkar, Subham; Guha Roy, Anisha; Mallick, Dibyendu; Mukherjee, Debabrata","A tridentate and dianionic N-heterocyclic olefin (NHO) with two unsymmetrically-tethered aryloxide sidearms on bismuth: a fortuitous followed by systematic discovery.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8142","8151","10.1039/d5dt00706b","","x-ray","1.54184","CuKα","","0.0424","0.0404","","","0.1127","0.1143","","","","","","1.081","","","","has coordinates","300865","2025-07-06","16:22:02",""
"7718420","25.3295","0.0006","8.7843","0.0002","11.5066","0.0003","90","","90","","90","","2560.24","0.11","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H28 I6 N3 O3 Sb -","- C10 H28 I6 N3 O3 Sb -","- C40 H112 I24 N12 O12 Sb4 -","4","0.5","","Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Bykov, Mikhail A.; Kalinin, Mikhail A.; Metlin, Mikhail T.; Taydakov, Ilya V.; Gontcharenko, Victoria E.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","A new supramolecular tecton: the crucial impact of the polycation charge and geometry of H-bonds on the structure and properties of halometallates in the solid state.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6983","6992","10.1039/d5dt00318k","","","0.71073","MoKα","","0.0252","0.0219","","","0.0433","0.0441","","","","","","1.194","","","","has coordinates","300806","2025-07-06","15:49:14",""
"7718421","25.489","0.005","8.8457","0.0018","11.478","0.002","90","","90","","90","","2587.9","0.9","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H27 Bi I6 N3 O3 -","- C10 H27 Bi I6 N3 O3 -","- C40 H108 Bi4 I24 N12 O12 -","4","0.5","","Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Bykov, Mikhail A.; Kalinin, Mikhail A.; Metlin, Mikhail T.; Taydakov, Ilya V.; Gontcharenko, Victoria E.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","A new supramolecular tecton: the crucial impact of the polycation charge and geometry of H-bonds on the structure and properties of halometallates in the solid state.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6983","6992","10.1039/d5dt00318k","","","0.71073","MoKα","","0.0601","0.0432","","","0.0554","0.0586","","","","","","1.138","","","","has coordinates","300806","2025-07-06","15:49:16",""
"7718422","17.0204","0.0005","16.7422","0.0005","14.6331","0.0004","90","","91.766","0.002","90","","4167.9","0.2","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C56 H70 Br7.58 Cu6 N12.42 O36.28 -","- C56 H70 Br7.572 Cu6 N12.428 O36.284 -","- C112 H140 Br15.144 Cu12 N24.856 O72.568 -","2","0.25","","Dhir, Rupy; Shah, Bulle; Singh, Ajnesh; Singh, Narinder","Synthesis and characterization of a novel copper carboxylate complex and a copper complex-coated polyether sulfone membrane for the efficient degradation of methylene blue dye under UV irradiation: single crystal X-ray structure of the copper carboxylate complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8346","8356","10.1039/d5dt00663e","","","0.71073","MoKα","","0.0633","0.0412","","","0.1041","0.1112","","","","","","1.075","","","","has coordinates,has disorder","300861","2025-07-06","16:18:41",""
"7718423","6.8155","0.00011","13.6335","0.0002","17.8897","0.0003","90","","90","","90","","1662.3","0.05","130","1","130","1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H20 N2 Ni O2 -","- C20 H20 N2 Ni O2 -","- C80 H80 N8 Ni4 O8 -","4","0.5","","Szarłan, Bartłomiej; Robaszkiewicz, Jakub; Pawluć, Piotr; Kubicki, Maciej; Zaranek, Maciej","Salen-type nickel(II) complexes for distinct selective hydrosilylation of alkenes under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7088","7094","10.1039/d4dt03257h","","x-ray","1.54184","CuKα","","0.035","0.033","","","0.0962","0.0979","","","","","","1.128","","","","has coordinates","300818","2025-07-06","15:55:09",""
"7718424","7.4766","0.0003","13.8147","0.0006","26.1363","0.0011","90","","90","","90","","2699.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 Ni O2 -","- C16 H14 N2 Ni O2 -","- C128 H112 N16 Ni8 O16 -","8","1","","Szarłan, Bartłomiej; Robaszkiewicz, Jakub; Pawluć, Piotr; Kubicki, Maciej; Zaranek, Maciej","Salen-type nickel(II) complexes for distinct selective hydrosilylation of alkenes under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7088","7094","10.1039/d4dt03257h","","","1.54178","CuKα","","0.0504","0.0428","","","0.1057","0.1089","","","","","","1.162","","","","has coordinates","300818","2025-07-06","15:55:10",""
"7718425","5.3195","0.0002","16.6342","0.0008","17.179","0.0007","90","","90","","90","","1520.09","0.11","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N2 Ni O2 -","- C20 H14 N2 Ni O2 -","- C80 H56 N8 Ni4 O8 -","4","1","","Szarłan, Bartłomiej; Robaszkiewicz, Jakub; Pawluć, Piotr; Kubicki, Maciej; Zaranek, Maciej","Salen-type nickel(II) complexes for distinct selective hydrosilylation of alkenes under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7088","7094","10.1039/d4dt03257h","","x-ray","0.71073","MoKα","","0.0665","0.057","","","0.128","0.1349","","","","","","1.065","","","","has coordinates","300818","2025-07-06","15:55:11",""
"7718426","7.3877","0.0002","16.7147","0.0004","14.273","0.0003","90","","96.2301","0.001","90","","1752.07","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Co3 N4 O26 -","- C24 H38 Co3 N4 O26 -","- C48 H76 Co6 N8 O52 -","2","0.5","","Liu, Yichen; Zhao, Zhongqin; Xin, Rui; Li, Duqingcuo; Dong, Xiuyan; Kushwaha, Aparna; Khalid Parvez, Mohammad; Al-Dosari, Mohammed S; Kumar, Abhinav; Huang, Yong","Electrochemical sensing properties of cobalt-based coordination polymers for trace L-tryptophan in milk.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6472","6485","10.1039/d5dt00116a","","","0.71073","MoKα","","0.0934","0.0635","","","0.1699","0.1855","","","","","","1.14","","","","has coordinates","300837","2025-07-06","16:09:18",""
"7718427","27.2842","0.0005","8.8715","0.0002","26.6608","0.0006","90","","120.729","0.001","90","","5547.2","0.2","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50.4 H46 Co3 N4.8 O16 -","- C50.4 H46 Co3 N4.8 O16 -","- C201.6 H184 Co12 N19.2 O64 -","4","0.5","","Akintola, Oluseun; Görls, Helmar; Plass, Winfried","Solvent-directed assembly in MOFs with linear trinuclear cobalt(II) nodes: formation of inverted Figaro chains.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6946","6956","10.1039/d5dt00149h","","","0.71073","MoKα","","0.1113","0.0861","","","0.2237","0.2403","","","","","","1.114","","","","has coordinates,has disorder","300816","2025-07-06","15:54:37",""
"7718428","27.1731","0.0004","8.7606","0.0001","26.2973","0.0004","90","","119.248","0.001","90","","5462.06","0.14","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52.8 H46 Co3 N5.6 O14 -","- C52.8 H46 Co3 N5.6 O14 -","- C211.2 H184 Co12 N22.4 O56 -","4","0.5","","Akintola, Oluseun; Görls, Helmar; Plass, Winfried","Solvent-directed assembly in MOFs with linear trinuclear cobalt(II) nodes: formation of inverted Figaro chains.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6946","6956","10.1039/d5dt00149h","","","0.71073","MoKα","","0.0375","0.0353","","","0.0967","0.0982","","","","","","1.096","","","","has coordinates,has disorder","300816","2025-07-06","15:54:38",""
"7718429","27.5342","0.0005","8.9142","0.0002","26.3993","0.0005","90","","121.36","0.001","90","","5533","0.2","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50.8 H51.8 Co3 N2 O17.1 -","- C50.8 H51.8 Co3 N2 O17.1 -","- C203.2 H207.2 Co12 N8 O68.4 -","4","0.5","","Akintola, Oluseun; Görls, Helmar; Plass, Winfried","Solvent-directed assembly in MOFs with linear trinuclear cobalt(II) nodes: formation of inverted Figaro chains.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6946","6956","10.1039/d5dt00149h","","","0.71073","MoKα","","0.0599","0.0541","","","0.1547","0.1609","","","","","","1.07","","","","has coordinates,has disorder","300816","2025-07-06","15:54:38",""
"7718430","27.2559","0.0005","8.7824","0.0002","26.6128","0.0005","90","","120.46","0.001","90","","5491.1","0.2","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H43 Co3 N5 O14 -","- C51 H43 Co3 N5 O14 -","- C204 H172 Co12 N20 O56 -","4","0.5","","Akintola, Oluseun; Görls, Helmar; Plass, Winfried","Solvent-directed assembly in MOFs with linear trinuclear cobalt(II) nodes: formation of inverted Figaro chains.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6946","6956","10.1039/d5dt00149h","","","0.71073","MoKα","","0.062","0.0546","","","0.1525","0.1588","","","","","","1.085","","","","has coordinates,has disorder","300816","2025-07-06","15:54:38",""
"7718431","10.6507","0.0003","13.2966","0.0004","20.0613","0.0004","76.589","0.002","80.628","0.002","85.538","0.002","2724.31","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H64 N2 O0.14 -","- C69 H58 N2 O0.135 -","- C138 H116 N4 O0.27 -","2","1","","Murphy, Fáinché; Kennedy, Alan R.; Weetman, Catherine E.","Divergent reduction chemistry of NHC-aluminium(III) hydrides.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6038","6042","10.1039/d5dt00379b","","","1.54184","CuKα","","0.1326","0.073","","","0.1832","0.2382","","","","","","1.023","","","","has coordinates,has disorder","300913","2025-07-06","16:39:13",""
"7718432","10.8961","0.0001","22.3404","0.0001","21.636","0.0001","90","","92.356","0.001","90","","5262.25","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H73.86 Al I N4 -","- C54 H73.8578 Al I N4 -","- C216 H295.431 Al4 I4 N16 -","4","1","","Murphy, Fáinché; Kennedy, Alan R.; Weetman, Catherine E.","Divergent reduction chemistry of NHC-aluminium(III) hydrides.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6038","6042","10.1039/d5dt00379b","","","1.54184","CuKα","","0.0688","0.0677","","","0.1861","0.1869","","","","","","1.127","","","","has coordinates,has disorder","300913","2025-07-06","16:39:17",""
"7718433","13.1492","0.0001","29.0213","0.0001","13.0614","0.0001","90","","100.548","0.001","90","","4900.09","0.06","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C51 H76 Al2 N4 -","- C51 H76 Al2 N4 -","- C204 H304 Al8 N16 -","4","1","","Murphy, Fáinché; Kennedy, Alan R.; Weetman, Catherine E.","Divergent reduction chemistry of NHC-aluminium(III) hydrides.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6038","6042","10.1039/d5dt00379b","","","1.54184","CuKα","","0.0273","0.0268","","","0.0733","0.0745","","","","","","1.052","","","","has coordinates","300913","2025-07-06","16:39:25",""
"7718434","16.6318","0.0004","14.9763","0.0003","6.9855","0.0002","90","","94.907","0.002","90","","1733.59","0.07","298","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 N9 O7 -","- C10 H16 N10 O7 -","- C40 H64 N40 O28 -","4","1","","Jiang, Xiu'e; Wang, Ruihui; Fan, Mingren; Song, Siwei; Wang, Yi; Zhang, Qinghua","Combination of 5-amino-4-nitro-1,2-dihydro-3<i>H</i>-pyrazol-3-one and azine frameworks for insensitive, heat-resistant energetic materials.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7056","7061","10.1039/d5dt00488h","","","1.54178","CuKα","","0.0598","0.0492","","","0.1286","0.1375","","","","","","1.055","","","","has coordinates","300817","2025-07-06","15:54:52",""
"7718435","8.0018","0.0002","17.4218","0.0004","9.206","0.0003","90","","110.35","0.003","90","","1203.27","0.06","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Cl N8 O8 -","- C6 H7 Cl N8 O8 -","- C24 H28 Cl4 N32 O32 -","4","1","","Jiang, Xiu'e; Wang, Ruihui; Fan, Mingren; Song, Siwei; Wang, Yi; Zhang, Qinghua","Combination of 5-amino-4-nitro-1,2-dihydro-3<i>H</i>-pyrazol-3-one and azine frameworks for insensitive, heat-resistant energetic materials.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7056","7061","10.1039/d5dt00488h","","","1.54178","CuKα","","0.0634","0.0518","","","0.1364","0.1452","","","","","","1.055","","","","has coordinates","300817","2025-07-06","15:54:52",""
"7718436","10.5731","0.0005","16.0518","0.0008","16.8857","0.0013","118.314","0.002","108.221","0.002","90.012","0.002","2358.3","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H60 Cl4 N72 O62 -","- C48 H60 Cl4 N72 O62 -","- C48 H60 Cl4 N72 O62 -","1","0.5","","Jiang, Xiu'e; Wang, Ruihui; Fan, Mingren; Song, Siwei; Wang, Yi; Zhang, Qinghua","Combination of 5-amino-4-nitro-1,2-dihydro-3<i>H</i>-pyrazol-3-one and azine frameworks for insensitive, heat-resistant energetic materials.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7056","7061","10.1039/d5dt00488h","","","0.71073","MoKα","","0.172","0.0872","","","0.211","0.2735","","","","","","1.027","","","","has coordinates,has disorder","300817","2025-07-06","15:54:52",""
"7718437","15.6357","0.0006","5.8232","0.0003","18.7157","0.0009","90","","100.011","0.002","90","","1678.12","0.14","302","2","302","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H9 Cl N12 O9.97 -","- C9 H9 Cl N12 O9.968 -","- C36 H36 Cl4 N48 O39.872 -","4","1","","Jiang, Xiu'e; Wang, Ruihui; Fan, Mingren; Song, Siwei; Wang, Yi; Zhang, Qinghua","Combination of 5-amino-4-nitro-1,2-dihydro-3<i>H</i>-pyrazol-3-one and azine frameworks for insensitive, heat-resistant energetic materials.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7056","7061","10.1039/d5dt00488h","","","0.71073","MoKα","","0.0502","0.0436","","","0.122","0.1334","","","","","","1.104","","","","has coordinates,has disorder","300817","2025-07-06","15:54:52",""
"7718438","12.3983","0.0002","15.2626","0.0002","26.923","0.0004","90","","90","","90","","5094.65","0.13","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C54 H76 N2 O4 Sn -","- C54 H76 N2 O4 Sn -","- C216 H304 N8 O16 Sn4 -","4","0.5","","Meshcheryakova, Irina N.; Cherkasov, Anton V.; Arsenyev, Maxim V.; Aysin, Rinat R.; Belikov, Aleksey A.; Bogomyakov, Artem S.; Protasenko, Natalya A.; Kocherova, Tatiana N.; Baryshnikova, Svetlana V.; Piskunov, Alexandr V.","Stepwise transformation of a redox-active tetradentate ONNO ligand in the coordination sphere of tin(IV).","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7281","7293","10.1039/d5dt00430f","","","0.71073","MoKα","","0.0328","0.0282","","","0.0558","0.0575","","","","","","1.043","","","","has coordinates,has disorder","300924","2025-07-06","16:44:27",""
"7718439","9.4959","0.0003","12.4916","0.0003","16.9054","0.0005","80.714","0.002","85.784","0.002","89.996","0.002","1973.53","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H54 N2 O2 Sn -","- C46 H54 N2 O2 Sn -","- C92 H108 N4 O4 Sn2 -","2","1","","Meshcheryakova, Irina N.; Cherkasov, Anton V.; Arsenyev, Maxim V.; Aysin, Rinat R.; Belikov, Aleksey A.; Bogomyakov, Artem S.; Protasenko, Natalya A.; Kocherova, Tatiana N.; Baryshnikova, Svetlana V.; Piskunov, Alexandr V.","Stepwise transformation of a redox-active tetradentate ONNO ligand in the coordination sphere of tin(IV).","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7281","7293","10.1039/d5dt00430f","","","0.71073","MoKα","","0.0509","0.0354","","","0.0682","0.0735","","","","","","1.063","","","","has coordinates,has disorder","300924","2025-07-06","16:44:28",""
"7718440","13.013","0.0002","13.5064","0.0002","14.5664","0.0002","72.5596","0.0013","84.7853","0.0013","76.7192","0.0013","2376.49","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H77 N3 O3 Sn -","- C47.998 H76.997 N2.999 O3 Sn -","- C95.996 H153.994 N5.998 O6 Sn2 -","2","1","","Meshcheryakova, Irina N.; Cherkasov, Anton V.; Arsenyev, Maxim V.; Aysin, Rinat R.; Belikov, Aleksey A.; Bogomyakov, Artem S.; Protasenko, Natalya A.; Kocherova, Tatiana N.; Baryshnikova, Svetlana V.; Piskunov, Alexandr V.","Stepwise transformation of a redox-active tetradentate ONNO ligand in the coordination sphere of tin(IV).","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7281","7293","10.1039/d5dt00430f","","","0.71073","MoKα","","0.0442","0.0357","","","0.0905","0.0953","","","","","","1.072","","","","has coordinates,has disorder","300924","2025-07-06","16:44:28",""
"7718441","28.6053","0.0003","9.734","0.0001","29.2307","0.0002","90","","90","","90","","8139.11","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H53 N2 O2 Sn -","- C46 H53 N2 O2 Sn -","- C368 H424 N16 O16 Sn8 -","8","1","","Meshcheryakova, Irina N.; Cherkasov, Anton V.; Arsenyev, Maxim V.; Aysin, Rinat R.; Belikov, Aleksey A.; Bogomyakov, Artem S.; Protasenko, Natalya A.; Kocherova, Tatiana N.; Baryshnikova, Svetlana V.; Piskunov, Alexandr V.","Stepwise transformation of a redox-active tetradentate ONNO ligand in the coordination sphere of tin(IV).","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7281","7293","10.1039/d5dt00430f","","","0.71073","MoKα","","0.0793","0.0618","","","0.114","0.1216","","","","","","1.01","","","","has coordinates,has disorder","300924","2025-07-06","16:44:28",""
"7718442","24.989","0.006","18.289","0.004","26.175","0.006","90","","107.081","0.002","90","","11435","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H105 F12 Mo4 N19 O16 -","- C104 H105 F12 Mo4 N19 O16 -","- C416 H420 F48 Mo16 N76 O64 -","4","1","","Seki, Kota; Nakamura, Takashi","Selective synthesis of a heterotetranuclear complex from a macrocyclic ligand with multiple identical chelating units.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6034","6037","10.1039/d5dt00623f","","","0.71073","MoKα","","0.1585","0.0793","","","0.1926","0.238","","","","","","1.112","","","","has coordinates,has disorder","300917","2025-07-06","16:41:19",""
"7718443","31.334","0.004","21.718","0.003","30.168","0.004","90","","95.6","0.001","90","","20432","5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H102.5 Cl3 F12 N8.5 O15 Pd4 -","- C98 H101 Cl3 F12 N8.5 O15 Pd4 -","- C784 H808 Cl24 F96 N68 O120 Pd32 -","8","1","","Seki, Kota; Nakamura, Takashi","Selective synthesis of a heterotetranuclear complex from a macrocyclic ligand with multiple identical chelating units.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6034","6037","10.1039/d5dt00623f","","","0.71073","MoKα","","0.1711","0.079","","","0.1924","0.256","","","","","","1.042","","","","has coordinates,has disorder","300917","2025-07-06","16:41:19",""
"7718444","15.983","0.003","21.323","0.004","42.169","0.008","102.033","0.002","91.537","0.002","111.172","0.002","13024","4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C230 H290 Cl6 F24 Mo4 N8 O41 Pd4 -","- C230 H282 Cl6 F24 Mo4 N8 O41 Pd4 -","- C460 H564 Cl12 F48 Mo8 N16 O82 Pd8 -","2","1","","Seki, Kota; Nakamura, Takashi","Selective synthesis of a heterotetranuclear complex from a macrocyclic ligand with multiple identical chelating units.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6034","6037","10.1039/d5dt00623f","","","0.71073","MoKα","","0.1506","0.1239","","","0.2923","0.3083","","","","","","1.143","","","","has coordinates,has disorder","300917","2025-07-06","16:41:19",""
"7718445","14.7987","0.0004","17.5747","0.0005","22.7001","0.0006","100.427","0.001","90.674","0.001","107.221","0.001","5532.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C91.5 H95.5 Cl16.5 F12 Mo2 N4 O16 -","- C91.5 H93.5 Cl16.5 F12 Mo2 N4 O16 -","- C183 H187 Cl33 F24 Mo4 N8 O32 -","2","1","","Seki, Kota; Nakamura, Takashi","Selective synthesis of a heterotetranuclear complex from a macrocyclic ligand with multiple identical chelating units.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6034","6037","10.1039/d5dt00623f","","","0.71073","MoKα","","0.1152","0.09","","","0.2438","0.2775","","","","","","1.066","","","","has coordinates,has disorder","300917","2025-07-06","16:41:19",""
"7718446","8.7919","0.0005","41.028","0.003","7.4909","0.0005","90","","105.974","0.002","90","","2597.7","0.3","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Cl Cu F2 N5 O4 -","- C28 H19 Cl Cu F2 N5 O4 -","- C112 H76 Cl4 Cu4 F8 N20 O16 -","4","1","","Kakoulidou, Chrisoula; Hatzidimitriou, Antonios G.; Psomas, George","Copper(II) complexes with (<i>E</i>)-4-(2-(pyridin-2-ylmethylene)hydrazinyl)quinazoline and non-steroidal anti-inflammatory drugs: structure and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7115","7129","10.1039/d5dt00435g","","","0.71073","MoKα","","0.0594","0.0437","","0.0479","0.0449","0.0449","","","","","","1","","","","has coordinates","300815","2025-07-06","15:54:08",""
"7718447","11.2583","0.0017","12.6237","0.0016","15.497","0.002","81.552","0.008","78.892","0.008","80.978","0.008","2118.9","0.5","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C86 H64 Cl2 Cu4 F12 N14 O12 -","- C86 H64 Cl2 Cu4 F12 N14 O12 -","- C86 H64 Cl2 Cu4 F12 N14 O12 -","1","0.5","","Kakoulidou, Chrisoula; Hatzidimitriou, Antonios G.; Psomas, George","Copper(II) complexes with (<i>E</i>)-4-(2-(pyridin-2-ylmethylene)hydrazinyl)quinazoline and non-steroidal anti-inflammatory drugs: structure and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7115","7129","10.1039/d5dt00435g","","","0.71073","MoKα","","0.0758","0.0456","","0.073","0.063","0.063","","","","","","1","","","","has coordinates,has disorder","300815","2025-07-06","15:54:11",""
"7718448","9.1635","0.0009","15.0904","0.0018","21.163","0.002","90","","91.438","0.003","90","","2925.5","0.5","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cu N6 O4 -","- C31 H32 Cu N6 O4 -","- C124 H128 Cu4 N24 O16 -","4","1","","Kakoulidou, Chrisoula; Hatzidimitriou, Antonios G.; Psomas, George","Copper(II) complexes with (<i>E</i>)-4-(2-(pyridin-2-ylmethylene)hydrazinyl)quinazoline and non-steroidal anti-inflammatory drugs: structure and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7115","7129","10.1039/d5dt00435g","","","0.71073","MoKα","","0.0799","0.0408","","0.0869","0.0677","0.0677","","","","","","1","","","","has coordinates","300815","2025-07-06","15:54:11",""
"7718449","7.802","0.002","16.079","0.005","21.082","0.007","90","","90","","90","","2644.7","1.4","295","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 Cl2 Cu N6 O2 -","- C28 H20 Cl2 Cu N6 O2 -","- C112 H80 Cl8 Cu4 N24 O8 -","4","1","","Kakoulidou, Chrisoula; Hatzidimitriou, Antonios G.; Psomas, George","Copper(II) complexes with (<i>E</i>)-4-(2-(pyridin-2-ylmethylene)hydrazinyl)quinazoline and non-steroidal anti-inflammatory drugs: structure and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7115","7129","10.1039/d5dt00435g","","","0.71073","MoKα","","0.0723","0.0433","","0.0869","0.0701","0.0701","","","","","","0.9999","","","","has coordinates","300815","2025-07-06","15:54:12",""
"7718450","8.9906","0.0004","9.5508","0.0004","13.0824","0.0006","90.398","0.002","109.325","0.002","91.029","0.002","1059.79","0.08","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H11 Fe2 N O9 S2 -","- C17 H11 Fe2 N O9 S2 -","- C34 H22 Fe4 N2 O18 S4 -","2","1","","Zhao, Pei-Hua; Wang, Shao-Jie; Wei, Fan-Zeng; Su, Xue; Gao, Hui","Enhancing the hydrogen evolution activity of diiron molecular electrocatalysts by modulating the substituent effect of carbon nanotubes.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7315","7324","10.1039/d5dt00138b","","","0.71073","MoKα","","0.0335","0.0264","","","0.0633","0.0675","","","","","","1.064","","","","has coordinates","300928","2025-07-06","16:45:54",""
"7718451","8.8627","0.0004","9.9096","0.0005","9.9331","0.0004","76.795","0.002","67.603","0.002","67.745","0.002","742.87","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 Cl2 Cr2 N2 -","- C32 H40 Cl2 Cr2 N2 -","- C32 H40 Cl2 Cr2 N2 -","1","0.5","","Calvo-Molina, Adrián; Jover, Jesús; Pérez-Redondo, Adrián; Yélamos, Carlos","Revisiting the structure and properties of mid-valent monopentamethylcyclopentadienylchromium complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8190","8203","10.1039/d5dt00620a","","x-ray","0.71073","MoKα","","0.0844","0.0687","","","0.2174","0.2235","","","","","","1.263","","","","has coordinates","300863","2025-07-06","16:20:34",""
"7718452","11.149","0.0007","13.7517","0.0009","14.763","0.0009","90","","101.49","0.002","90","","2218.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H38 B2 Cr2 -","- C20 H38 B2 Cr2 -","- C80 H152 B8 Cr8 -","4","1","","Calvo-Molina, Adrián; Jover, Jesús; Pérez-Redondo, Adrián; Yélamos, Carlos","Revisiting the structure and properties of mid-valent monopentamethylcyclopentadienylchromium complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8190","8203","10.1039/d5dt00620a","","x-ray","0.71073","MoKα","","0.0667","0.0441","","","0.1168","0.1366","","","","","","1.142","","","","has coordinates","300863","2025-07-06","16:20:36",""
"7718453","10.5776","0.0004","12.2828","0.0006","10.9543","0.0005","90","","90","","90","","1423.21","0.11","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H23 Cr -","- C17 H23 Cr -","- C68 H92 Cr4 -","4","0.5","","Calvo-Molina, Adrián; Jover, Jesús; Pérez-Redondo, Adrián; Yélamos, Carlos","Revisiting the structure and properties of mid-valent monopentamethylcyclopentadienylchromium complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8190","8203","10.1039/d5dt00620a","","x-ray","0.71073","MoKα","","0.0421","0.0269","","","0.0926","0.1177","","","","","","1.259","","","","has coordinates","300863","2025-07-06","16:20:36",""
"7718454","8.3464","0.0003","13.5508","0.0004","12.1711","0.0004","90","","109.873","0.001","90","","1294.58","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H23 B2 Cr -","- C10 H23 B2 Cr -","- C40 H92 B8 Cr4 -","4","1","","Calvo-Molina, Adrián; Jover, Jesús; Pérez-Redondo, Adrián; Yélamos, Carlos","Revisiting the structure and properties of mid-valent monopentamethylcyclopentadienylchromium complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8190","8203","10.1039/d5dt00620a","","x-ray","0.71073","MoKα","","0.0334","0.0275","","","0.0834","0.0965","","","","","","1.193","","","","has coordinates","300863","2025-07-06","16:20:36",""
"7718455","14.1459","0.0005","21.5739","0.0008","18.3597","0.0006","90","","103.097","0.001","90","","5457.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H88 Al4 Cr4 -","- C40 H76 Al4 Cr4 -","- C160 H304 Al16 Cr16 -","4","1","","Calvo-Molina, Adrián; Jover, Jesús; Pérez-Redondo, Adrián; Yélamos, Carlos","Revisiting the structure and properties of mid-valent monopentamethylcyclopentadienylchromium complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8190","8203","10.1039/d5dt00620a","","x-ray","0.71073","MoKα","","0.0476","0.0372","","","0.1232","0.1383","","","","","","1.14","","","","has coordinates","300863","2025-07-06","16:20:36",""
"7718456","10.6445","0.0006","10.8469","0.0006","17.7916","0.001","83.35","0.002","82.634","0.002","67.661","0.002","1879.32","0.18","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H64 Cr4 -","- C40 H64 Cr4 -","- C80 H128 Cr8 -","2","1","","Calvo-Molina, Adrián; Jover, Jesús; Pérez-Redondo, Adrián; Yélamos, Carlos","Revisiting the structure and properties of mid-valent monopentamethylcyclopentadienylchromium complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8190","8203","10.1039/d5dt00620a","","x-ray","0.71073","MoKα","","0.0699","0.0585","","","0.1669","0.1865","","","","","","1.29","","","","has coordinates","300863","2025-07-06","16:20:36",""
"7718457","11.8952","0.001","17.2829","0.0014","19.3699","0.0016","90","","90","","90","","3982.1","0.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H52 Cl2 Cr2 F2 N2 -","- C44 H52 Cl2 Cr2 F2 N2 -","- C176 H208 Cl8 Cr8 F8 N8 -","4","0.5","","Calvo-Molina, Adrián; Jover, Jesús; Pérez-Redondo, Adrián; Yélamos, Carlos","Revisiting the structure and properties of mid-valent monopentamethylcyclopentadienylchromium complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8190","8203","10.1039/d5dt00620a","","x-ray","0.71073","MoKα","","0.0807","0.0544","","","0.1465","0.1699","","","","","","1.04","","","","has coordinates","300863","2025-07-06","16:20:36",""
"7718458","14.0249","0.0007","13.9608","0.0007","17.4223","0.0007","90","","90","","90","","3411.3","0.3","150","2","150","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C66 H112 Al4 Cr6 -","- C66 H112 Al4 Cr6 -","- C132 H224 Al8 Cr12 -","2","0.25","","Calvo-Molina, Adrián; Jover, Jesús; Pérez-Redondo, Adrián; Yélamos, Carlos","Revisiting the structure and properties of mid-valent monopentamethylcyclopentadienylchromium complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8190","8203","10.1039/d5dt00620a","","x-ray","0.71073","MoKα","","0.0464","0.0287","","","0.103","0.1371","","","","","","1.39","","","","has coordinates","300863","2025-07-06","16:20:36",""
"7718459","45.083","0.003","9.2529","0.0005","30.1304","0.0017","90","","96.992","0.005","90","","12475.4","1.3","100","0.1","100","0.1","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C27 H38 B2 F6 N12 O P S6 Sb -","- C27 H38 B2 F6 N12 O P S6 Sb -","- C324 H456 B24 F72 N144 O12 P12 S72 Sb12 -","12","1.5","","Møller, Mads Sondrup; McKee, Vickie; McKenzie, Christine J.","Stereochemically (In)active lone pairs in Sb(III) complexes of a soft scorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6665","6673","10.1039/d5dt00261c","","x-ray","1.54184","CuKα","","0.0736","0.0439","","","0.1019","0.1072","","","","","","0.944","","","","has coordinates,has disorder","300836","2025-07-06","16:08:58",""
"7718460","10.5707","0.0002","14.9955","0.0003","19.661","0.0003","77.289","0.001","79.49","0.001","72.973","0.002","2883.54","0.1","100","0.12","100","0.12","","","","","","","","7","P -1","-P 1","2","","","","- C39 H60.8 B3 N18 O4.4 S9 Sb -","- C39 H60.8001 B3 N18 O4.4 S9 Sb -","- C78 H121.6 B6 N36 O8.8 S18 Sb2 -","2","1","","Møller, Mads Sondrup; McKee, Vickie; McKenzie, Christine J.","Stereochemically (In)active lone pairs in Sb(III) complexes of a soft scorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6665","6673","10.1039/d5dt00261c","","x-ray","1.54184","CuKα","","0.0425","0.0394","","","0.1057","0.1088","","","","","","1.036","","","","has coordinates,has disorder","300836","2025-07-06","16:09:00",""
"7718461","10.86977","0.00005","26.7987","0.0001","15.13528","0.00006","90","","93.6973","0.0004","90","","4399.67","0.03","100.01","0.1","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H80 B4 Cl8 N24 O4 S12 Sb4 -","- C52 H80 B4 Cl8 N24 O4 S12 Sb4 -","- C104 H160 B8 Cl16 N48 O8 S24 Sb8 -","2","0.5","","Møller, Mads Sondrup; McKee, Vickie; McKenzie, Christine J.","Stereochemically (In)active lone pairs in Sb(III) complexes of a soft scorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6665","6673","10.1039/d5dt00261c","","x-ray","1.54184","CuKα","","0.0197","0.0189","","","0.0465","0.047","","","","","","1.072","","","","has coordinates,has disorder","300836","2025-07-06","16:09:00",""
"7718462","10.3605","0.0001","17.2928","0.0002","28.3074","0.0003","90","","91.201","0.001","90","","5070.5","0.09","100","0.1","100","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C30.7 H36.6 B2 F7.8 N12 O5.7 S6 Sb -","- C27.25 H35 B2 F3 N12 O2.5 S6 Sb -","- C109 H140 B8 F12 N48 O10 S24 Sb4 -","4","0.5","","Møller, Mads Sondrup; McKee, Vickie; McKenzie, Christine J.","Stereochemically (In)active lone pairs in Sb(III) complexes of a soft scorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6665","6673","10.1039/d5dt00261c","","x-ray","1.54184","CuKα","","0.0319","0.0295","","","0.0863","0.0886","","","","","","1.074","","","","has coordinates,has disorder","300836","2025-07-06","16:09:00",""
"7718463","32.0046","0.0009","14.8912","0.0003","34.1458","0.0012","90","","114.476","0.004","90","","14811","0.9","100","0.1","100","0.1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C45.1 H64.2 B3 F18 N20 O1.7 P3 S10 Sb2 -","- C43 H60 B3 F18 N20 O P3 S10 Sb2 -","- C344 H480 B24 F144 N160 O8 P24 S80 Sb16 -","8","1","","Møller, Mads Sondrup; McKee, Vickie; McKenzie, Christine J.","Stereochemically (In)active lone pairs in Sb(III) complexes of a soft scorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","16","6665","6673","10.1039/d5dt00261c","","x-ray","1.54184","CuKα","","0.0789","0.0658","","","0.1353","0.1419","","","","","","1.151","","","","has coordinates,has disorder","300836","2025-07-06","16:09:00",""
"7718464","14.2364","0.0011","14.8198","0.0011","18.5335","0.0013","74.718","0.002","76.257","0.002","66.251","0.002","3414.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H97 B2 Cl4 Cu4 N5 P4 -","- C52 H97 B2 Cl4 Cu4 N5 P4 -","- C104 H194 B4 Cl8 Cu8 N10 P8 -","2","1","","Camy, Aurèle; Martins-Bessa, David; Vendier, Laure; Fernández, Israel; Bontemps, Sébastien","σ-BH activation of NHC → BH<sub>3</sub> fragments in dinuclear Cu complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7333","7339","10.1039/d5dt00586h","","","0.71073","MoKα","","0.0754","0.0437","","","0.1048","0.1189","","","","","","1.02","","","","has coordinates","300926","2025-07-06","16:45:23",""
"7718465","11.5023","0.0012","13.1058","0.0013","16.0684","0.0017","75.201","0.003","85.773","0.003","72.282","0.003","2230.8","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H58 B3 Cl2 Cu2 F8 N5 P2 -","- C32 H58 B3 Cl2 Cu2 F8 N5 P2 -","- C64 H116 B6 Cl4 Cu4 F16 N10 P4 -","2","1","","Camy, Aurèle; Martins-Bessa, David; Vendier, Laure; Fernández, Israel; Bontemps, Sébastien","σ-BH activation of NHC → BH<sub>3</sub> fragments in dinuclear Cu complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7333","7339","10.1039/d5dt00586h","","","0.71073","MoKα","","0.0811","0.061","","","0.1543","0.1641","","","","","","1.117","","","","has coordinates","300926","2025-07-06","16:45:23",""
"7718466","13.9113","0.0002","44.7705","0.0005","45.9595","0.0006","90","","90","","90","","28624.3","0.6","150","","150","","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C50 H94 B2 Cl5 Cu5 N4 P4 -","- C50 H94 B2 Cl5 Cu5 N4 P4 -","- C800 H1504 B32 Cl80 Cu80 N64 P64 -","16","0.5","","Camy, Aurèle; Martins-Bessa, David; Vendier, Laure; Fernández, Israel; Bontemps, Sébastien","σ-BH activation of NHC → BH<sub>3</sub> fragments in dinuclear Cu complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7333","7339","10.1039/d5dt00586h","","","1.5418","CuKα","","0.0431","0.038","","0.1054","0.1","0.1054","","","","","","1.0221","","","","has coordinates","300926","2025-07-06","16:45:23",""
"7718467","23.107","0.003","10.6201","0.0013","3.9168","0.0005","90","","90","","90","","961.2","0.2","150","2","150","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","[1,3]dithiolo[4',5':5,6][1,4]dithiino[2,3-b]pyrazine-2-thione","","- C7 H2 N2 S5 -","- C7 H2 N2 S5 -","- C28 H8 N8 S20 -","4","0.5","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Gold bis(dithiolene) radical with fused pyrazine and dithiine rings on dithiolene ligand turns metallic under pressure.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7240","7251","10.1039/d5dt00380f","","x-ray","0.71073","MoKα","","0.042","0.039","","","0.077","0.0784","","","","","","1.162","","","","has coordinates","300931","2025-07-06","16:46:39",""
"7718468","21.976","0.002","8.3085","0.0008","16.7017","0.0017","90","","119.994","0.003","90","","2641.1","0.4","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","(Et4N)[Ni(pzdtdt)2]","(tetraethylammonium)[bis([1,4]dithiino[2,3-b]pyrazine-2,3-bis(thiolate))nickelate]","","- C20 H24 N5 Ni S8 -","- C20 H24 N5 Ni S8 -","- C80 H96 N20 Ni4 S32 -","4","0.5","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Gold bis(dithiolene) radical with fused pyrazine and dithiine rings on dithiolene ligand turns metallic under pressure.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7240","7251","10.1039/d5dt00380f","","x-ray","0.71073","MoKα","","0.0264","0.0245","","","0.0658","0.0674","","","","","","1.042","","","","has coordinates,has disorder","300931","2025-07-06","16:46:40",""
"7718469","12.5503","0.001","3.8827","0.0003","19.3569","0.0017","90","","101.122","0.003","90","","925.53","0.13","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","[1,3]dithiolo[4',5':5,6][1,4]dithiino[2,3-b]pyrazin-2-one","","- C7 H2 N2 O S4 -","- C7 H2 N2 O S4 -","- C28 H8 N8 O4 S16 -","4","1","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Gold bis(dithiolene) radical with fused pyrazine and dithiine rings on dithiolene ligand turns metallic under pressure.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7240","7251","10.1039/d5dt00380f","","x-ray","0.71073","MoKα","","0.0221","0.0214","","","0.0582","0.0587","","","","","","1.057","","","","has coordinates","300931","2025-07-06","16:46:40",""
"7718470","8.4285","0.0008","11.7655","0.0011","19.481","0.002","104.095","0.004","99.229","0.004","90.809","0.004","1846.6","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","(Ph4P)[Au(pzdtdt)2]","(tetraphenylphosphonium)[bis([1,4]dithiino[2,3-b]pyrazine-2,3-bis(thiolate))aurate)","","- C36 H24 Au N4 P S8 -","- C36 H24 Au N4 P S8 -","- C72 H48 Au2 N8 P2 S16 -","2","1","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Gold bis(dithiolene) radical with fused pyrazine and dithiine rings on dithiolene ligand turns metallic under pressure.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7240","7251","10.1039/d5dt00380f","","x-ray","0.71073","MoKα","","0.031","0.0263","","","0.0715","0.0755","","","","","","0.987","","","","has coordinates","300931","2025-07-06","16:46:40",""
"7718471","3.7034","0.0005","30.203","0.004","7.5483","0.0009","90","","98.492","0.005","90","","835.05","0.19","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H4 Au N4 S8 -","- C12 H4 Au N4 S8 -","- C24 H8 Au2 N8 S16 -","2","0.5","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Gold bis(dithiolene) radical with fused pyrazine and dithiine rings on dithiolene ligand turns metallic under pressure.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7240","7251","10.1039/d5dt00380f","","x-ray","0.71073","MoKα","","0.0497","0.0477","","","0.11","0.1106","","","","","","1.534","","","","has coordinates","300931","2025-07-06","16:46:40",""
"7718472","6.9195","0.0005","6.9195","0.0005","3.5596","0.0003","90","","90","","120","","147.6","0.02","301.15","","301.15","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Al F3 -","- Al F3 -","- Al3 F9 -","3","0.125","","Liu, Shaohua; Zhang, Lili; Li, Ke; Ma, Xiaotian; Long, Xifa; Yang, Yun","Coordinated assembly of alkali and alkaline earth metals with the perfluorinated [AlF<sub>6</sub>] group to design deep-ultraviolet zero-order waveplate materials.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7214","7220","10.1039/d5dt00356c","","","0.71073","MoKα","","0.0188","0.0188","","","0.0533","0.0533","","","","","","1.349","","","","has coordinates","300927","2025-07-06","16:45:41",""
"7718473","7.1962","0.001","14.7046","0.0015","7.1852","0.0009","90","","119.857","0.005","90","","659.4","0.14","293","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Al2 F9 K Li2 -","- Al2 F9 K Li2 -","- Al8 F36 K4 Li8 -","4","0.5","","Liu, Shaohua; Zhang, Lili; Li, Ke; Ma, Xiaotian; Long, Xifa; Yang, Yun","Coordinated assembly of alkali and alkaline earth metals with the perfluorinated [AlF<sub>6</sub>] group to design deep-ultraviolet zero-order waveplate materials.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7214","7220","10.1039/d5dt00356c","","","0.71073","MoKα","","0.0535","0.0409","","","0.106","0.1167","","","","","","1.078","","","","has coordinates","300927","2025-07-06","16:45:41",""
"7718474","14.4398","0.0013","14.4398","0.0013","7.2843","0.0009","90","","90","","90","","1518.8","0.3","301","","301","","","","","","","","","3","I 4/m","-I 4","87","","","","- Al Ba F5 -","- Al Ba F5 -","- Al16 Ba16 F80 -","16","1","","Liu, Shaohua; Zhang, Lili; Li, Ke; Ma, Xiaotian; Long, Xifa; Yang, Yun","Coordinated assembly of alkali and alkaline earth metals with the perfluorinated [AlF<sub>6</sub>] group to design deep-ultraviolet zero-order waveplate materials.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7214","7220","10.1039/d5dt00356c","","","0.71073","MoKα","","0.0587","0.0527","","","0.132","0.1355","","","","","","1.251","","","","has coordinates","300927","2025-07-06","16:45:41",""
"7718475","7.26","0.0014","12.21","0.002","15.93","0.003","72.75","0.03","81.99","0.03","85.37","0.03","1334.3","0.5","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Cl2 N5 Si Zn -","- C25 H25 Cl2 N5 Si Zn -","- C50 H50 Cl4 N10 Si2 Zn2 -","2","1","","Wittmann, Christopher; Besleaga, Iuliana; Mahmoudi, Soheil; Palamarciuc, Oleg; Balan-Porcarasu, Mihaela; Dascalu, Mihaela; Shova, Sergiu; Cazacu, Maria; Kiricsi, Mónika; Igaz, Nóra; Dömötör, Orsolya; Enyedy, Eva A.; Dvoranová, Dana; Rapta, Peter; Arion, Vladimir B.","Physical properties and cytotoxicity of Cu(ii) and Zn(ii) complexes with a TMS-substituted indolo[2,3-c]quinoline-derived Schiff base","Dalton Transactions","2025","54","19","7882","7898","10.1039/D5DT00314H","","electron","0.02508","electron","","0.25","0.2068","","","0.4475","0.4689","","","","","","1.416","","","","has coordinates","300825","2025-07-06","16:03:23",""
"7718476","13.3995","0.0005","14.5451","0.0003","14.9042","0.0004","90","","112.352","0.004","90","","2686.53","0.16","299.18","0.1","299.18","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl2 N5 O1.5 S1.5 Zn -","- C25 H26 Cl2 N5 O1.5 S1.5 Zn -","- C100 H104 Cl8 N20 O6 S6 Zn4 -","4","1","","Wittmann, Christopher; Besleaga, Iuliana; Mahmoudi, Soheil; Palamarciuc, Oleg; Balan-Porcarasu, Mihaela; Dascalu, Mihaela; Shova, Sergiu; Cazacu, Maria; Kiricsi, Mónika; Igaz, Nóra; Dömötör, Orsolya; Enyedy, Eva A.; Dvoranová, Dana; Rapta, Peter; Arion, Vladimir B.","Physical properties and cytotoxicity of Cu(ii) and Zn(ii) complexes with a TMS-substituted indolo[2,3-c]quinoline-derived Schiff base","Dalton Transactions","2025","54","19","7882","7898","10.1039/D5DT00314H","","x-ray","1.54184","CuKα","","0.0957","0.0615","","","0.1582","0.1809","","","","","","1.036","","","","has coordinates,has disorder","300825","2025-07-06","16:03:27",""
"7718477","13.1421","0.0007","14.3009","0.0007","14.7259","0.0009","90","","94.735","0.005","90","","2758.2","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Cl2 Cu N5 Si -","- C25 H25 Cl2 Cu N5 Si -","- C100 H100 Cl8 Cu4 N20 Si4 -","4","1","","Wittmann, Christopher; Besleaga, Iuliana; Mahmoudi, Soheil; Palamarciuc, Oleg; Balan-Porcarasu, Mihaela; Dascalu, Mihaela; Shova, Sergiu; Cazacu, Maria; Kiricsi, Mónika; Igaz, Nóra; Dömötör, Orsolya; Enyedy, Eva A.; Dvoranová, Dana; Rapta, Peter; Arion, Vladimir B.","Physical properties and cytotoxicity of Cu(ii) and Zn(ii) complexes with a TMS-substituted indolo[2,3-c]quinoline-derived Schiff base","Dalton Transactions","2025","54","19","7882","7898","10.1039/D5DT00314H","","x-ray","0.71073","MoKα","","0.1358","0.0854","","","0.2433","0.277","","","","","","1.03","","","","has coordinates,has disorder","300825","2025-07-06","16:03:27",""
"7718478","16.1222","0.0005","18.4352","0.0005","21.8748","0.0007","90","","91.747","0.001","90","","6498.5","0.3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C120 H116 Br4 Cl8 N36 Ni8 Ru2 -","- C120 H116 Br4 Cl8 N36 Ni8 Ru2 -","- C240 H232 Br8 Cl16 N72 Ni16 Ru4 -","2","0.5","","Rehfuß, Wiebke G; Kalytta-Mewes, Andreas; Kraft, Maryana; Nguyen, Binh Minh; Brütting, Wolfgang; Volkmer, Dirk","Synthesis, electronic and photophysical investigations of ruthenium(II)-centred heterometallic Kuratowski complexes which feature redox-active metal centres.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6910","6921","10.1039/d5dt00088b","","","0.71073","MoKα","","0.0454","0.0326","","","0.0705","0.076","","","","","","1.062","","","","has coordinates","300809","2025-07-06","15:50:56",""
"7718479","17.2138","0.0004","17.2138","0.0004","19.0412","0.0006","90","","90","","90","","5642.2","0.3","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C108 H136 B4 Co4 N42 Ru -","- C108 H136 B4 Co4 N42 Ru -","- C216 H272 B8 Co8 N84 Ru2 -","2","0.25","","Rehfuß, Wiebke G; Kalytta-Mewes, Andreas; Kraft, Maryana; Nguyen, Binh Minh; Brütting, Wolfgang; Volkmer, Dirk","Synthesis, electronic and photophysical investigations of ruthenium(II)-centred heterometallic Kuratowski complexes which feature redox-active metal centres.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6910","6921","10.1039/d5dt00088b","","","0.71073","MoKα","","0.0695","0.0472","","","0.1055","0.1152","","","","","","1.056","","","","has coordinates","300809","2025-07-06","15:50:59",""
"7718480","17.1921","0.0004","17.1921","0.0004","19.0664","0.0006","90","","90","","90","","5635.4","0.3","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C108 H136 B4 N42 Ru Zn4 -","- C108 H136 B4 N42 Ru Zn4 -","- C216 H272 B8 N84 Ru2 Zn8 -","2","0.25","","Rehfuß, Wiebke G; Kalytta-Mewes, Andreas; Kraft, Maryana; Nguyen, Binh Minh; Brütting, Wolfgang; Volkmer, Dirk","Synthesis, electronic and photophysical investigations of ruthenium(II)-centred heterometallic Kuratowski complexes which feature redox-active metal centres.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6910","6921","10.1039/d5dt00088b","","","0.71073","MoKα","","0.0577","0.0425","","","0.1136","0.1272","","","","","","1.12","","","","has coordinates","300809","2025-07-06","15:50:59",""
"7718481","17.2569","0.0009","17.2569","0.0009","18.9953","0.0013","90","","90","","90","","5656.8","0.6","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C108 H136 B4 N42 Ni4 Ru -","- C108 H136 B4 N42 Ni4 Ru -","- C216 H272 B8 N84 Ni8 Ru2 -","2","0.25","","Rehfuß, Wiebke G; Kalytta-Mewes, Andreas; Kraft, Maryana; Nguyen, Binh Minh; Brütting, Wolfgang; Volkmer, Dirk","Synthesis, electronic and photophysical investigations of ruthenium(II)-centred heterometallic Kuratowski complexes which feature redox-active metal centres.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6910","6921","10.1039/d5dt00088b","","","0.71073","MoKα","","0.0954","0.0569","","","0.1078","0.124","","","","","","1.017","","","","has coordinates","300809","2025-07-06","15:50:59",""
"7718482","23.5457","0.0004","23.5457","0.0004","23.5457","0.0004","90","","90","","90","","13053.7","0.4","200","2","200","2","","","","","","","","7","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C60 H58 Br2 Cl4 Co4 N18 Ru -","- C60 H57.9996 Br2.0004 Cl4 Co4 N18 Ru -","- C480 H463.997 Br16.0032 Cl32 Co32 N144 Ru8 -","8","0.0416667","","Rehfuß, Wiebke G; Kalytta-Mewes, Andreas; Kraft, Maryana; Nguyen, Binh Minh; Brütting, Wolfgang; Volkmer, Dirk","Synthesis, electronic and photophysical investigations of ruthenium(II)-centred heterometallic Kuratowski complexes which feature redox-active metal centres.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6910","6921","10.1039/d5dt00088b","","","0.71073","MoKα","","0.0258","0.0231","","","0.0567","0.0591","","","","","","1.099","","","","has coordinates,has disorder","300809","2025-07-06","15:50:59",""
"7718483","16.5999","0.0003","16.4788","0.0002","18.4498","0.0003","90","","113.001","0.002","90","","4645.64","0.14","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H50 Cl2 F Fe N3 -","- C55 H50 Cl2 F Fe N3 -","- C220 H200 Cl8 F4 Fe4 N12 -","4","1","","Zada, Muhammad; Zhang, Qiuyue; Mahmood, Qaiser; Ma, Yanping; Sun, Yang; Sun, Wen-Hua","A π-π interaction strategy for targeting highly thermostable bis(arylimino)pyridyliron precatalysts in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7676","7689","10.1039/d5dt00571j","","","1.54184","CuKα","","0.0601","0.044","","","0.0999","0.111","","","","","","1.023","","","","has coordinates","300827","2025-07-06","16:04:31",""
"7718484","12.2129","0.0004","15.7448","0.0006","29.057","0.0009","90","","90","","90","","5587.4","0.3","170","0.1","170","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H54 Cl2 F Fe N3 -","- C57 H54 Cl2 F Fe N3 -","- C228 H216 Cl8 F4 Fe4 N12 -","4","1","","Zada, Muhammad; Zhang, Qiuyue; Mahmood, Qaiser; Ma, Yanping; Sun, Yang; Sun, Wen-Hua","A π-π interaction strategy for targeting highly thermostable bis(arylimino)pyridyliron precatalysts in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7676","7689","10.1039/d5dt00571j","","x-ray","0.71073","MoKα","","0.0879","0.0529","","","0.1105","0.1226","","","","","","0.953","","","","has coordinates","300827","2025-07-06","16:04:33",""
"7718485","6.9048","0.0003","20.5037","0.0009","26.9416","0.001","90","","90","","90","","3814.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2b2Pd1","","- C18 H13 Cl N6 Pd -","- C18 H13 Cl N6 Pd -","- C144 H104 Cl8 N48 Pd8 -","8","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Palladium(II) and platinum(II) complexes of disubstituted imidazo[1,5-<i>a</i>]pyridine and imidazolylpyridine: coordination chemistry, versatile catalysis, and biophysical study.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7741","7752","10.1039/d5dt00346f","","x-ray","0.71073","MoKα","","0.0543","0.043","","","0.1134","0.1211","","","","","","1.05","","","","has coordinates","300819","2025-07-06","15:57:32",""
"7718486","13.218","0.002","15.636","0.003","16.364","0.003","110.893","0.004","92.382","0.004","103.115","0.004","3049.3","0.9","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 Cl8 N16 O4 Pt4 -","- C48 H56 Cl8 N16 O4 Pt4 -","- C96 H112 Cl16 N32 O8 Pt8 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Palladium(II) and platinum(II) complexes of disubstituted imidazo[1,5-<i>a</i>]pyridine and imidazolylpyridine: coordination chemistry, versatile catalysis, and biophysical study.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7741","7752","10.1039/d5dt00346f","","x-ray","0.71073","MoKα","","0.042","0.0302","","","0.0609","0.0684","","","","","","1.085","","","","has coordinates","300819","2025-07-06","15:57:33",""
"7718487","11.499","0.0008","11.499","0.0008","32.308","0.003","90","","90","","120","","3699.7","0.5","298","","298","","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C42 H38 Cl6 N12 O2 Pd4 -","- C42 H38 Cl6 N12 O2 Pd4 -","- C126 H114 Cl18 N36 O6 Pd12 -","3","0.5","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Palladium(II) and platinum(II) complexes of disubstituted imidazo[1,5-<i>a</i>]pyridine and imidazolylpyridine: coordination chemistry, versatile catalysis, and biophysical study.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7741","7752","10.1039/d5dt00346f","","x-ray","0.71073","MoKα","","0.0614","0.0448","","","0.0861","0.0955","","","","","","1.17","","","","has coordinates","300819","2025-07-06","15:57:33",""
"7718488","17.449","0.001","29.6984","0.0016","22.8003","0.0015","90","","110.451","0.007","90","","11070.6","1.2","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","c4","","- C90 H62 Cl3 N25 Pd3 -","- C90 H62 Cl3 N25 Pd3 -","- C360 H248 Cl12 N100 Pd12 -","4","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Palladium(II) and platinum(II) complexes of disubstituted imidazo[1,5-<i>a</i>]pyridine and imidazolylpyridine: coordination chemistry, versatile catalysis, and biophysical study.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7741","7752","10.1039/d5dt00346f","","x-ray","0.71073","MoKα","","0.1662","0.0804","","","0.1659","0.2212","","","","","","0.965","","","","has coordinates,has disorder","300819","2025-07-06","15:57:33",""
"7718489","13.0805","0.0006","15.8917","0.0007","16.3515","0.0007","111.211","0.002","92.726","0.002","102.771","0.002","3059.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Pd2L","","- C36 H28 Cl8 N12 Pd4 -","- C36 H28 Cl8 N12 Pd4 -","- C72 H56 Cl16 N24 Pd8 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Palladium(II) and platinum(II) complexes of disubstituted imidazo[1,5-<i>a</i>]pyridine and imidazolylpyridine: coordination chemistry, versatile catalysis, and biophysical study.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7741","7752","10.1039/d5dt00346f","","x-ray","0.71073","MoKα","","0.0582","0.0434","","","0.1268","0.1352","","","","","","1.094","","","","has coordinates,has disorder","300819","2025-07-06","15:57:33",""
"7718490","13.6664","0.0018","10.1536","0.0008","25.254","0.002","90","","98.665","0.009","90","","3464.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2b2PdP","","- C36 H28 F6 N6 P2 Pd -","- C36 H28 F6 N6 P2 Pd -","- C144 H112 F24 N24 P8 Pd4 -","4","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Palladium(II) and platinum(II) complexes of disubstituted imidazo[1,5-<i>a</i>]pyridine and imidazolylpyridine: coordination chemistry, versatile catalysis, and biophysical study.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7741","7752","10.1039/d5dt00346f","","x-ray","0.71073","MoKα","","0.1244","0.0606","","","0.0968","0.1233","","","","","","0.957","","","","has coordinates","300819","2025-07-06","15:57:33",""
"7718491","14.1329","0.0006","13.9091","0.0006","17.5933","0.0008","90","","98.59","0.004","90","","3419.6","0.3","150","0.1","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 N3 O P -","- C44 H34 N3 O P -","- C176 H136 N12 O4 P4 -","4","1","","Sharma, Akrti; Ravikanth, Mangalampalli","Synthesis, structure, and properties of antiaromatic P<sup>V</sup>O complexes of triphyrins(2.1.1).","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6935","6945","10.1039/d5dt00221d","","x-ray","0.71073","MoKα","","0.0674","0.0517","","","0.1321","0.1453","","","","","","1.055","","","","has coordinates","300807","2025-07-06","15:49:54",""
"7718492","18.1752","0.0016","15.9826","0.0016","19.995","0.002","90","","91.536","0.008","90","","5806.2","1","297","2","297","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C100 H72 N24 Ni4 S4 -","- C100 H72 N24 Ni4 S4 -","- C200 H144 N48 Ni8 S8 -","2","0.5","","Sooraj, M.; Jayakrishnan, R.; Manoj, E.","Self-assembled nickel(II)-centered metal-organic square grid complexes for CO<sub>2</sub> sensing.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6922","6934","10.1039/d5dt00464k","","","1.54178","CuKα","","0.107","0.0672","","","0.1979","0.2372","","","","","","1.044","","","","has coordinates","300810","2025-07-06","15:51:30",""
"7718493","25.272","0.012","15.952","0.007","26.734","0.013","90","","95.04","0.017","90","","10736","9","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C100 H76 Cl4 N24 Ni4 S4 -","- C100 H76 Cl4 N24 Ni4 S4 -","- C400 H304 Cl16 N96 Ni16 S16 -","4","1","","Sooraj, M.; Jayakrishnan, R.; Manoj, E.","Self-assembled nickel(II)-centered metal-organic square grid complexes for CO<sub>2</sub> sensing.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","6922","6934","10.1039/d5dt00464k","","","0.71073","MoKα","","0.2624","0.1444","","","0.3672","0.4494","","","","","","1.036","","","","has coordinates","300810","2025-07-06","15:51:32",""
"7718494","26.1064","0.0008","23.0686","0.0006","23.933","0.001","90","","107.303","0.004","90","","13761.1","0.9","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98 H86 Dy3 F54 N12 O22 -","- C83 H51 Dy3 F54 N12 O22 -","- C332 H204 Dy12 F216 N48 O88 -","4","1","","Jin, Chao-Yi; Zhang, Qiuxue; Tang, Jinkui; Cheng, Peng; Li, Licun","Unusual zig-zag-shaped Ln-radical coordination networks derived from a nitronyl nitroxide with two imidazole groups: single-crystal-to-single-crystal transformations and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7718","7725","10.1039/d4dt03488k","","","1.54184","CuKα","","0.089","0.0627","","","0.1715","0.19","","","","","","1.039","","","","has coordinates,has disorder","300823","2025-07-06","16:01:36",""
"7718495","26.0907","0.0008","23.0966","0.0006","23.9398","0.001","90","","107.288","0.004","90","","13774.5","0.9","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96.5 H82.5 F54 Gd3 N12 O22 -","- C83 H51 F54 Gd3 N12 O22 -","- C332 H204 F216 Gd12 N48 O88 -","4","1","","Jin, Chao-Yi; Zhang, Qiuxue; Tang, Jinkui; Cheng, Peng; Li, Licun","Unusual zig-zag-shaped Ln-radical coordination networks derived from a nitronyl nitroxide with two imidazole groups: single-crystal-to-single-crystal transformations and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7718","7725","10.1039/d4dt03488k","","x-ray","1.54184","CuKα","","0.0993","0.076","","","0.2194","0.2424","","","","","","1.09","","","","has coordinates,has disorder","300823","2025-07-06","16:01:37",""
"7718496","27.9697","0.0004","22.8066","0.0002","40.7239","0.0004","90","","95.1262","0.0012","90","","25873.6","0.5","113","","113","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C377 H309 F216 Gd12 N48 O88 -","- C332 H204 F216 Gd12 N48 O88 -","- C664 H408 F432 Gd24 N96 O176 -","2","1","","Jin, Chao-Yi; Zhang, Qiuxue; Tang, Jinkui; Cheng, Peng; Li, Licun","Unusual zig-zag-shaped Ln-radical coordination networks derived from a nitronyl nitroxide with two imidazole groups: single-crystal-to-single-crystal transformations and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7718","7725","10.1039/d4dt03488k","","x-ray","1.54184","CuKα","","0.096","0.0817","","","0.2121","0.225","","","","","","1.048","","","","has coordinates,has disorder","300823","2025-07-06","16:01:37",""
"7718497","27.9955","0.0004","22.738","0.0003","40.5407","0.0005","90","","95.381","0.001","90","","25692.9","0.6","113","","113","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C413 H393 Dy12 F216 N48 O88 -","- C332 H204 Dy12 F216 N48 O88 -","- C664 H408 Dy24 F432 N96 O176 -","2","1","","Jin, Chao-Yi; Zhang, Qiuxue; Tang, Jinkui; Cheng, Peng; Li, Licun","Unusual zig-zag-shaped Ln-radical coordination networks derived from a nitronyl nitroxide with two imidazole groups: single-crystal-to-single-crystal transformations and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7718","7725","10.1039/d4dt03488k","","x-ray","0.71073","MoKα","","0.1136","0.0849","","","0.2021","0.2289","","","","","","1.052","","","","has coordinates,has disorder","300823","2025-07-06","16:01:37",""
"7718498","11.9739","0.0011","15.0639","0.0014","18.2762","0.0019","90","","94.004","0.004","90","","3288.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H48 Cl6 Gd2 O6 -","- C18 H48 Cl6 Gd2 O6 -","- C72 H192 Cl24 Gd8 O24 -","4","1","","Barbosa, Guilherme A.; Carneiro Neto, José Severiano; Stoeberl, Bruno J.; Wisbeck, Sarita; Giese, Siddhartha O. K.; Yokaichiya, Fabiano; Costa, Daniel da S; Barison, Andersson; Ribeiro, Ronny R.; Piovan, Leandro; Hughes, David L.; Briganti, Matteo; Poneti, Giordano; Nunes, Giovana G.; Santana, Francielli S.; Soares, Jaísa F","High-yield synthesis of heavy rare earth(III) anhydrous solvates: known, new, and unexpected products.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8251","8269","10.1039/d5dt00254k","","","0.71073","MoKα","","0.015","0.0135","","","0.0301","0.0304","","","","","","1.122","","","","has coordinates","300864","2025-07-06","16:21:17",""
"7718499","11.3944","0.0008","8.8372","0.0006","15.58","0.0011","90","","104.716","0.003","90","","1517.36","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl3 Gd O4 -","- C8 H20 Cl3 Gd O4 -","- C32 H80 Cl12 Gd4 O16 -","4","1","","Barbosa, Guilherme A.; Carneiro Neto, José Severiano; Stoeberl, Bruno J.; Wisbeck, Sarita; Giese, Siddhartha O. K.; Yokaichiya, Fabiano; Costa, Daniel da S; Barison, Andersson; Ribeiro, Ronny R.; Piovan, Leandro; Hughes, David L.; Briganti, Matteo; Poneti, Giordano; Nunes, Giovana G.; Santana, Francielli S.; Soares, Jaísa F","High-yield synthesis of heavy rare earth(III) anhydrous solvates: known, new, and unexpected products.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8251","8269","10.1039/d5dt00254k","","","0.71073","MoKα","","0.014","0.0118","","","0.0235","0.0238","","","","","","1.136","","","","has coordinates","300864","2025-07-06","16:21:22",""
"7718500","12.5609","0.0008","11.3719","0.0007","26.5618","0.0018","90","","93.908","0.003","90","","3785.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H56 Cl6 O7 Y2 -","- C28 H56 Cl6 O7 Y2 -","- C112 H224 Cl24 O28 Y8 -","4","0.5","","Barbosa, Guilherme A.; Carneiro Neto, José Severiano; Stoeberl, Bruno J.; Wisbeck, Sarita; Giese, Siddhartha O. K.; Yokaichiya, Fabiano; Costa, Daniel da S; Barison, Andersson; Ribeiro, Ronny R.; Piovan, Leandro; Hughes, David L.; Briganti, Matteo; Poneti, Giordano; Nunes, Giovana G.; Santana, Francielli S.; Soares, Jaísa F","High-yield synthesis of heavy rare earth(III) anhydrous solvates: known, new, and unexpected products.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8251","8269","10.1039/d5dt00254k","","","0.71073","MoKα","","0.0311","0.0253","","","0.0508","0.0521","","","","","","1.033","","","","has coordinates,has disorder","300864","2025-07-06","16:21:22",""
"7718501","11.2739","0.0005","12.2225","0.0005","15.604","0.0008","81.216","0.002","78.827","0.003","74.501","0.002","2021.08","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H51 Cl8 Gd3 O9 -","- C20 H51 Cl8 Gd3 O9 -","- C40 H102 Cl16 Gd6 O18 -","2","1","","Barbosa, Guilherme A.; Carneiro Neto, José Severiano; Stoeberl, Bruno J.; Wisbeck, Sarita; Giese, Siddhartha O. K.; Yokaichiya, Fabiano; Costa, Daniel da S; Barison, Andersson; Ribeiro, Ronny R.; Piovan, Leandro; Hughes, David L.; Briganti, Matteo; Poneti, Giordano; Nunes, Giovana G.; Santana, Francielli S.; Soares, Jaísa F","High-yield synthesis of heavy rare earth(III) anhydrous solvates: known, new, and unexpected products.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8251","8269","10.1039/d5dt00254k","","","0.71073","MoKα","","0.0534","0.032","","","0.0492","0.0527","","","","","","1.049","","","","has coordinates","300864","2025-07-06","16:21:22",""
"7718502","9.057","0.003","12.863","0.004","15.697","0.005","90","","92.15","0.01","90","","1827.4","1","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl3 O3 Yb -","- C12 H24 Cl3 O3 Yb -","- C48 H96 Cl12 O12 Yb4 -","4","1","","Barbosa, Guilherme A.; Carneiro Neto, José Severiano; Stoeberl, Bruno J.; Wisbeck, Sarita; Giese, Siddhartha O. K.; Yokaichiya, Fabiano; Costa, Daniel da S; Barison, Andersson; Ribeiro, Ronny R.; Piovan, Leandro; Hughes, David L.; Briganti, Matteo; Poneti, Giordano; Nunes, Giovana G.; Santana, Francielli S.; Soares, Jaísa F","High-yield synthesis of heavy rare earth(III) anhydrous solvates: known, new, and unexpected products.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8251","8269","10.1039/d5dt00254k","","","0.71073","MoKα","","0.0633","0.0433","","","0.102","0.1132","","","","","","1.166","","","","has coordinates,has disorder","300864","2025-07-06","16:21:22",""
"7718503","12.5685","0.0011","11.424","0.001","26.624","0.002","90","","94.117","0.003","90","","3812.9","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H56 Cl6 Gd2 O7 -","- C28 H56 Cl6 Gd2 O7 -","- C112 H224 Cl24 Gd8 O28 -","4","0.5","","Barbosa, Guilherme A.; Carneiro Neto, José Severiano; Stoeberl, Bruno J.; Wisbeck, Sarita; Giese, Siddhartha O. K.; Yokaichiya, Fabiano; Costa, Daniel da S; Barison, Andersson; Ribeiro, Ronny R.; Piovan, Leandro; Hughes, David L.; Briganti, Matteo; Poneti, Giordano; Nunes, Giovana G.; Santana, Francielli S.; Soares, Jaísa F","High-yield synthesis of heavy rare earth(III) anhydrous solvates: known, new, and unexpected products.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8251","8269","10.1039/d5dt00254k","","","0.71073","MoKα","","0.0339","0.0264","","","0.0546","0.0567","","","","","","1.096","","","","has coordinates,has disorder","300864","2025-07-06","16:21:22",""
"7718504","16.3487","0.0009","29.4984","0.0016","9.0581","0.0005","90","","90","","90","","4368.4","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H32 Cl3 Gd O4 -","- C16 H32 Cl3 Gd O4 -","- C128 H256 Cl24 Gd8 O32 -","8","0.5","","Barbosa, Guilherme A.; Carneiro Neto, José Severiano; Stoeberl, Bruno J.; Wisbeck, Sarita; Giese, Siddhartha O. K.; Yokaichiya, Fabiano; Costa, Daniel da S; Barison, Andersson; Ribeiro, Ronny R.; Piovan, Leandro; Hughes, David L.; Briganti, Matteo; Poneti, Giordano; Nunes, Giovana G.; Santana, Francielli S.; Soares, Jaísa F","High-yield synthesis of heavy rare earth(III) anhydrous solvates: known, new, and unexpected products.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8251","8269","10.1039/d5dt00254k","","","0.71073","MoKα","","0.0095","0.0087","","","0.0207","0.0208","","","","","","1.115","","","","has coordinates","300864","2025-07-06","16:21:22",""
"7718505","11.3517","0.0009","8.8174","0.0007","15.5541","0.0012","90","","104.726","0.003","90","","1505.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl3 Dy O4 -","- C8 H20 Cl3 Dy O4 -","- C32 H80 Cl12 Dy4 O16 -","4","1","","Barbosa, Guilherme A.; Carneiro Neto, José Severiano; Stoeberl, Bruno J.; Wisbeck, Sarita; Giese, Siddhartha O. K.; Yokaichiya, Fabiano; Costa, Daniel da S; Barison, Andersson; Ribeiro, Ronny R.; Piovan, Leandro; Hughes, David L.; Briganti, Matteo; Poneti, Giordano; Nunes, Giovana G.; Santana, Francielli S.; Soares, Jaísa F","High-yield synthesis of heavy rare earth(III) anhydrous solvates: known, new, and unexpected products.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8251","8269","10.1039/d5dt00254k","","","0.71073","MoKα","","0.0534","0.0344","","","0.0651","0.0772","","","","","","1.254","","","","has coordinates","300864","2025-07-06","16:21:22",""
"7718506","11.2875","0.0004","8.7925","0.0004","15.5229","0.0007","90","","104.599","0.001","90","","1490.84","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl3 Er O4 -","- C8 H20 Cl3 Er O4 -","- C32 H80 Cl12 Er4 O16 -","4","1","","Barbosa, Guilherme A.; Carneiro Neto, José Severiano; Stoeberl, Bruno J.; Wisbeck, Sarita; Giese, Siddhartha O. K.; Yokaichiya, Fabiano; Costa, Daniel da S; Barison, Andersson; Ribeiro, Ronny R.; Piovan, Leandro; Hughes, David L.; Briganti, Matteo; Poneti, Giordano; Nunes, Giovana G.; Santana, Francielli S.; Soares, Jaísa F","High-yield synthesis of heavy rare earth(III) anhydrous solvates: known, new, and unexpected products.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8251","8269","10.1039/d5dt00254k","","","0.71073","MoKα","","0.0116","0.0105","","","0.0237","0.0244","","","","","","1.265","","","","has coordinates","300864","2025-07-06","16:21:22",""
"7718507","11.4344","0.0008","8.8655","0.0006","15.6127","0.0011","90","","104.808","0.002","90","","1530.12","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl3 Gd O4 -","- C8 H20 Cl3 Gd O4 -","- C32 H80 Cl12 Gd4 O16 -","4","1","","Barbosa, Guilherme A.; Carneiro Neto, José Severiano; Stoeberl, Bruno J.; Wisbeck, Sarita; Giese, Siddhartha O. K.; Yokaichiya, Fabiano; Costa, Daniel da S; Barison, Andersson; Ribeiro, Ronny R.; Piovan, Leandro; Hughes, David L.; Briganti, Matteo; Poneti, Giordano; Nunes, Giovana G.; Santana, Francielli S.; Soares, Jaísa F","High-yield synthesis of heavy rare earth(III) anhydrous solvates: known, new, and unexpected products.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8251","8269","10.1039/d5dt00254k","","","0.71073","MoKα","","0.016","0.0125","","","0.027","0.0276","","","","","","1.15","","","","has coordinates","300864","2025-07-06","16:21:22",""
"7718508","8.188","0.004","8.48","0.004","9.656","0.004","79.66","0.02","70.541","0.018","82.603","0.019","620.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 Cl3 Gd O2 -","- C8 H16 Cl3 Gd O2 -","- C16 H32 Cl6 Gd2 O4 -","2","1","","Barbosa, Guilherme A.; Carneiro Neto, José Severiano; Stoeberl, Bruno J.; Wisbeck, Sarita; Giese, Siddhartha O. K.; Yokaichiya, Fabiano; Costa, Daniel da S; Barison, Andersson; Ribeiro, Ronny R.; Piovan, Leandro; Hughes, David L.; Briganti, Matteo; Poneti, Giordano; Nunes, Giovana G.; Santana, Francielli S.; Soares, Jaísa F","High-yield synthesis of heavy rare earth(III) anhydrous solvates: known, new, and unexpected products.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8251","8269","10.1039/d5dt00254k","","","0.71073","MoKα","","0.0116","0.0105","","","0.0261","0.0263","","","","","","1.12","","","","has coordinates","300864","2025-07-06","16:21:23",""
"7718509","13.2553","0.0011","10.9651","0.0009","24.264","0.002","90","","97.715","0.004","90","","3494.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H104 Cl8 Gd4 O17 -","- C52 H104 Cl8 Gd4 O17 -","- C104 H208 Cl16 Gd8 O34 -","2","0.5","","Barbosa, Guilherme A.; Carneiro Neto, José Severiano; Stoeberl, Bruno J.; Wisbeck, Sarita; Giese, Siddhartha O. K.; Yokaichiya, Fabiano; Costa, Daniel da S; Barison, Andersson; Ribeiro, Ronny R.; Piovan, Leandro; Hughes, David L.; Briganti, Matteo; Poneti, Giordano; Nunes, Giovana G.; Santana, Francielli S.; Soares, Jaísa F","High-yield synthesis of heavy rare earth(III) anhydrous solvates: known, new, and unexpected products.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8251","8269","10.1039/d5dt00254k","","","0.71073","MoKα","","0.0272","0.0222","","","0.0481","0.0493","","","","","","1.135","","","","has coordinates,has disorder","300864","2025-07-06","16:21:23",""
"7718510","12.5509","0.001","11.3841","0.0009","26.6104","0.0018","90","","93.812","0.002","90","","3793.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H56 Cl6 Dy2 O7 -","- C28 H56 Cl6 Dy2 O7 -","- C112 H224 Cl24 Dy8 O28 -","4","0.5","","Barbosa, Guilherme A.; Carneiro Neto, José Severiano; Stoeberl, Bruno J.; Wisbeck, Sarita; Giese, Siddhartha O. K.; Yokaichiya, Fabiano; Costa, Daniel da S; Barison, Andersson; Ribeiro, Ronny R.; Piovan, Leandro; Hughes, David L.; Briganti, Matteo; Poneti, Giordano; Nunes, Giovana G.; Santana, Francielli S.; Soares, Jaísa F","High-yield synthesis of heavy rare earth(III) anhydrous solvates: known, new, and unexpected products.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8251","8269","10.1039/d5dt00254k","","","0.71073","MoKα","","0.0326","0.0301","","","0.0653","0.0661","","","","","","1.192","","","","has coordinates,has disorder","300864","2025-07-06","16:21:23",""
"7718511","21.2079","0.0002","21.2079","0.0002","11.4861","0.0001","90","","90","","90","","5166.16","0.08","99.99","0.1","99.99","0.1","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C56 H41 B Cu F10 N3 O P2 -","- C56 H41 B Cu F10 N3 O P2 -","- C224 H164 B4 Cu4 F40 N12 O4 P8 -","4","0.5","","Villegas-Menares, Alondra; Hansmann, Yannik Sebastian; Bayas, Max; Verdugo, Camilo; Erazo, Ignacio; Zuñiga, Cesar; Gonzalez, Iván; Galdámez, Antonio; Villa, Lucrezia; Natali, Mirco; Cabrera, Alan R.","Exploring catalytic activity modulations: photoredox catalysis with substituted copper(i)-dipyridylamine derivatives","Dalton Transactions","2025","54","18","7306","7314","10.1039/D4DT03337J","","","1.54184","CuKα","","0.034","0.0304","","","0.0733","0.0769","","","","","","1.086","","","","has coordinates,has disorder","300933","2025-07-06","16:47:27",""
"7718512","12.3842","0.0001","19.9197","0.0002","21.0692","0.0002","90","","90","","90","","5197.55","0.08","99.97","0.1","100.15","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C57 H41 B Cl2 Cu F10 N3 P2 -","- C57 H41 B Cl2 Cu F10 N3 P2 -","- C228 H164 B4 Cl8 Cu4 F40 N12 P8 -","4","1","","Villegas-Menares, Alondra; Hansmann, Yannik Sebastian; Bayas, Max; Verdugo, Camilo; Erazo, Ignacio; Zuñiga, Cesar; Gonzalez, Iván; Galdámez, Antonio; Villa, Lucrezia; Natali, Mirco; Cabrera, Alan R.","Exploring catalytic activity modulations: photoredox catalysis with substituted copper(i)-dipyridylamine derivatives","Dalton Transactions","2025","54","18","7306","7314","10.1039/D4DT03337J","","","1.54184","CuKα","","0.0348","0.0328","","","0.0851","0.0877","","","","","","1.051","","","","has coordinates,has disorder","300933","2025-07-06","16:47:28",""
"7718513","12.1556","0.0003","19.473","0.0006","21.5417","0.0006","90","","90","","90","","5099","0.2","99.94","0.13","99.94","0.13","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C56.8 H43.6 B Cl1.6 Cu F7 N3 O P2 -","- C56.8 H43.6 B Cl1.6 Cu F7 N3 O P2 -","- C227.2 H174.4 B4 Cl6.4 Cu4 F28 N12 O4 P8 -","4","1","","Villegas-Menares, Alondra; Hansmann, Yannik Sebastian; Bayas, Max; Verdugo, Camilo; Erazo, Ignacio; Zuñiga, Cesar; Gonzalez, Iván; Galdámez, Antonio; Villa, Lucrezia; Natali, Mirco; Cabrera, Alan R.","Exploring catalytic activity modulations: photoredox catalysis with substituted copper(i)-dipyridylamine derivatives","Dalton Transactions","2025","54","18","7306","7314","10.1039/D4DT03337J","","","0.71073","MoKα","","0.0623","0.0404","","","0.0715","0.0789","","","","","","1.069","","","","has coordinates,has disorder","300933","2025-07-06","16:47:28",""
"7718514","8.3825","0.0005","9.5056","0.0005","15.3798","0.0008","90","","94.911","0.005","90","","1220.97","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H23 Cl2 N7 O10 -","- C15 H23 Cl2 N7 O10 -","- C30 H46 Cl4 N14 O20 -","2","1","","Ghosh, Riya; Mazumdar, Rakesh; Samanta, Bapan; Saha, Shankhadeep; Mondal, Biplab","Reaction of a non-heme iron-nitrosyl with dioxygen: decomposition of the ligand through NOD-like activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7793","7800","10.1039/d5dt00009b","","","0.71073","MoKα","","0.078","0.0641","","","0.1702","0.1869","","","","","","1.026","","","","has coordinates","300820","2025-07-06","15:58:19",""
"7718515","15.56","0.04","9.9","0.02","15.75","0.04","90","","90","","90","","2426","10","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H18 N2 O3 -","- C9 H18 N2 O3 -","- C72 H144 N16 O24 -","8","2","","Ghosh, Riya; Mazumdar, Rakesh; Samanta, Bapan; Saha, Shankhadeep; Mondal, Biplab","Reaction of a non-heme iron-nitrosyl with dioxygen: decomposition of the ligand through NOD-like activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7793","7800","10.1039/d5dt00009b","","","0.71073","MoKα","","0.143","0.079","","","0.1441","0.1653","","","","","","1.175","","","","has coordinates","300820","2025-07-06","15:58:20",""
"7718516","11.9018","0.0006","11.9774","0.0006","12.2326","0.0006","84.555","0.003","74.331","0.003","68.652","0.002","1563.77","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H34 Cl2 Fe N8 O10 -","- C20 H34 Cl2 Fe N8 O10 -","- C40 H68 Cl4 Fe2 N16 O20 -","2","1","","Ghosh, Riya; Mazumdar, Rakesh; Samanta, Bapan; Saha, Shankhadeep; Mondal, Biplab","Reaction of a non-heme iron-nitrosyl with dioxygen: decomposition of the ligand through NOD-like activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7793","7800","10.1039/d5dt00009b","","","0.71073","MoKα","","0.0723","0.0564","","","0.1571","0.1771","","","","","","1.012","","","","has coordinates","300820","2025-07-06","15:58:20",""
"7718517","10.4501","0.0006","19.7521","0.0012","15.8247","0.0009","90","","91.422","0.004","90","","3265.4","0.3","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Cl2 Fe N9 O9 -","- C20 H30 Cl2 Fe N9 O9 -","- C80 H120 Cl8 Fe4 N36 O36 -","4","1","","Ghosh, Riya; Mazumdar, Rakesh; Samanta, Bapan; Saha, Shankhadeep; Mondal, Biplab","Reaction of a non-heme iron-nitrosyl with dioxygen: decomposition of the ligand through NOD-like activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7793","7800","10.1039/d5dt00009b","","","0.71073","MoKα","","0.1158","0.077","","","0.1948","0.2159","","","","","","1.024","","","","has coordinates","300820","2025-07-06","15:58:20",""
"7718518","8.3792","0.0004","11.2793","0.0006","13.4979","0.0007","88.409","0.002","81.453","0.002","79.1","0.002","1238.78","0.11","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Cl Co N6 O6 -","- C26 H22 Cl Co N6 O6 -","- C52 H44 Cl2 Co2 N12 O12 -","2","1","","Kukreti, Prashant; Chauhan, Rahul; Hitomi, Yutaka; Ghosh, Kaushik","Regiospecific arene C-H self-hydroxylation in pentadentate ligand <i>via</i> activation of atmospheric dioxygen utilizing Co(II) precursors under ambient reaction conditions: experimental and DFT optimized studies.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7707","7717","10.1039/d4dt03244f","","","0.71073","MoKα","","0.0451","0.0375","","","0.0886","0.0932","","","","","","1.095","","","","has coordinates","300822","2025-07-06","15:59:47",""
"7718519","8.6457","0.0007","18.9325","0.0015","26.532","0.002","90","","90","","90","","4342.9","0.6","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N6 O -","- C26 H24 N6 O -","- C208 H192 N48 O8 -","8","1","","Kukreti, Prashant; Chauhan, Rahul; Hitomi, Yutaka; Ghosh, Kaushik","Regiospecific arene C-H self-hydroxylation in pentadentate ligand <i>via</i> activation of atmospheric dioxygen utilizing Co(II) precursors under ambient reaction conditions: experimental and DFT optimized studies.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7707","7717","10.1039/d4dt03244f","","","0.71073","MoKα","","0.0518","0.0373","","","0.0827","0.0923","","","","","","1.063","","","","has coordinates","300822","2025-07-06","15:59:48",""
"7718520","16.239","0.0011","11.9393","0.0008","26.1931","0.0017","90","","105.713","0.002","90","","4888.6","0.6","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","US14_RE","","- C45.75 H48 Cl2 N4 O8 Re2 -","- C45.75 H48 Cl2 N4 O8 Re2 -","- C183 H192 Cl8 N16 O32 Re8 -","4","1","","Shee, Uday; Khutia, Biswajit; Ray, Sneha; Ghosh, Sumona; Rajak, Kajal Krishna","Highly efficient photocatalytic reduction of CO<sub>2</sub> to CO under visible light using rhenium benzo[<i>d</i>]oxazole complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7294","7305","10.1039/d4dt03400g","","","0.71073","MoKα","","0.0386","0.0316","","","0.0762","0.08","","","","","","1.056","","","","has coordinates","300925","2025-07-06","16:44:49",""
"7718521","9.4862","0.0004","9.554","0.0004","13.1539","0.0006","96.34","0.001","102.856","0.001","110.709","0.001","1063.54","0.08","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 Cl3 N2 O4 Re -","- C19 H10 Cl N2 O4 Re -","- C38 H20 Cl2 N4 O8 Re2 -","2","1","","Shee, Uday; Khutia, Biswajit; Ray, Sneha; Ghosh, Sumona; Rajak, Kajal Krishna","Highly efficient photocatalytic reduction of CO<sub>2</sub> to CO under visible light using rhenium benzo[<i>d</i>]oxazole complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7294","7305","10.1039/d4dt03400g","","","0.71073","MoKα","","0.029","0.0252","","","0.0538","0.055","","","","","","0.983","","","","has coordinates","300925","2025-07-06","16:44:49",""
"7718522","6.977","0.005","9.781","0.007","13.71","0.01","86.855","0.019","75.528","0.018","76.14","0.018","879.5","1.1","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H10 Cl N2 O4 Re -","- C19 H10 Cl N2 O4 Re -","- C38 H20 Cl2 N4 O8 Re2 -","2","1","","Shee, Uday; Khutia, Biswajit; Ray, Sneha; Ghosh, Sumona; Rajak, Kajal Krishna","Highly efficient photocatalytic reduction of CO<sub>2</sub> to CO under visible light using rhenium benzo[<i>d</i>]oxazole complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7294","7305","10.1039/d4dt03400g","","","0.71073","MoKα","","0.0763","0.0488","","","0.103","0.1139","","","","","","1.074","","","","has coordinates","300925","2025-07-06","16:44:49",""
"7718523","7.2623","0.0006","9.6207","0.0007","14.8789","0.0011","99.464","0.002","96.228","0.003","100.601","0.002","997.54","0.13","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H12 Cl N2 O4 Re -","- C23 H12 Cl N2 O4 Re -","- C46 H24 Cl2 N4 O8 Re2 -","2","1","","Shee, Uday; Khutia, Biswajit; Ray, Sneha; Ghosh, Sumona; Rajak, Kajal Krishna","Highly efficient photocatalytic reduction of CO<sub>2</sub> to CO under visible light using rhenium benzo[<i>d</i>]oxazole complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7294","7305","10.1039/d4dt03400g","","","0.71073","MoKα","","0.0491","0.04","","","0.0938","0.1004","","","","","","1.047","","","","has coordinates","300925","2025-07-06","16:44:49",""
"7718524","8.3981","0.0005","16.0907","0.0009","13.2068","0.0008","90","","93.733","0.002","90","","1780.87","0.18","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H10 Cl N2 O4 Re -","- C19 H10 Cl N2 O4 Re -","- C76 H40 Cl4 N8 O16 Re4 -","4","1","","Shee, Uday; Khutia, Biswajit; Ray, Sneha; Ghosh, Sumona; Rajak, Kajal Krishna","Highly efficient photocatalytic reduction of CO<sub>2</sub> to CO under visible light using rhenium benzo[<i>d</i>]oxazole complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7294","7305","10.1039/d4dt03400g","","","0.71073","MoKα","","0.0503","0.0346","","","0.0838","0.0976","","","","","","1.059","","","","has coordinates","300925","2025-07-06","16:44:49",""
"7718525","6.6236","0.0003","6.9578","0.0003","12.013","0.0005","85.307","0.004","75.875","0.003","69.438","0.004","502.68","0.04","299.7","0.8","299.7","0.8","","","","","","","","4","P -1","-P 1","2","","","","- Ba4 Hg P2 Se10 -","- Ba4 Hg P2 Se10 -","- Ba4 Hg P2 Se10 -","1","0.5","","Xiong, Zhihui; Tian, Haotian; Li, Zhixi; Deng, Guowei; Ding, Fang; Wu, Qian; Xia, Mingjun","Design of a high-performance infrared birefringent crystal Ba<sub>4</sub>HgP<sub>2</sub>Se<sub>10</sub><i>via</i> a low-dimensional motif intercalation strategy.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8152","8158","10.1039/d5dt00186b","","x-ray","0.71073","MoKα","","0.0381","0.0298","","","0.0662","0.0689","","","","","","1.018","","","","has coordinates","300869","2025-07-06","16:23:09",""
"7718526","9.547","0.002","17.906","0.003","14.077","0.003","90","","107.131","0.005","90","","2299.7","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Cl Cu N4 O5 -","- C26 H21 Cl Cu N4 O5 -","- C104 H84 Cl4 Cu4 N16 O20 -","4","1","","Ravisankar, Vigneswara Chellam; Selvakumaran, Balasubramaniam; Ajaykamal, Tamilarasan; Murali, Mariappan","Functional biomimetics for copper oxidases: interesting catalytic promiscuity of novel monocopper(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7221","7239","10.1039/d5dt00077g","","","0.71075","MoKα","","0.0281","0.0272","","","0.085","0.0859","","","","","","1.007","","","","has coordinates","300930","2025-07-06","16:46:25",""
"7718527","20.9459","0.0013","14.1401","0.0009","14.5156","0.0009","90","","109.756","0.002","90","","4046.1","0.4","100.01","","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H50 Cl2 N3 O2 P Ru -","- C45 H50 Cl2 N3 O2 P Ru -","- C180 H200 Cl8 N12 O8 P4 Ru4 -","4","1","","Ma, Chong; Xia, Yihao; Ding, Xue; Qin, Lei; Zheng, Zhiping","Hydrogen production via aqueous-phase reforming of methanol catalyzed by ruthenium(ii) complexes with Schiff-base pincer ligands","Dalton Transactions","2025","54","19","7785","7792","10.1039/D5DT00387C","","","0.71073","MoKα","","0.05","0.0452","","","0.1028","0.1062","","","","","","1.124","","","","has coordinates","300821","2025-07-06","15:58:51",""
"7718528","10.8192","0.0006","12.7886","0.0007","17.5557","0.0008","98.8008","0.0017","100.834","0.003","92.67","0.002","2350.6","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H56 Cl4 N3 P Ru -","- C50 H56 Cl4 N3 P Ru -","- C100 H112 Cl8 N6 P2 Ru2 -","2","1","","Ma, Chong; Xia, Yihao; Ding, Xue; Qin, Lei; Zheng, Zhiping","Hydrogen production via aqueous-phase reforming of methanol catalyzed by ruthenium(ii) complexes with Schiff-base pincer ligands","Dalton Transactions","2025","54","19","7785","7792","10.1039/D5DT00387C","","","0.71073","MoKα","","0.0356","0.0303","","","0.0737","0.0768","","","","","","1.041","","","","has coordinates","300821","2025-07-06","15:58:52",""
"7718529","13.6499","0.0013","4.7759","0.0005","13.2717","0.0012","90","","110.836","0.002","90","","808.61","0.14","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H5 N6 O2.5 S -","- C5 H5 N6 O2.5 S -","- C20 H20 N24 O10 S4 -","4","1","","Kumar, Parasar; Ghule, Vikas D.; Dharavath, Srinivas","Exploring new frontiers: alliance of pyrazole and thiadiazole in energetic materials.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7194","7197","10.1039/d5dt00730e","","","0.71073","MoKα","","0.024","0.0231","","","0.0549","0.0555","","","","","","1.085","","","","has coordinates","300929","2025-07-06","16:46:04",""
"7718530","7.2255","0.0003","8.2299","0.0004","8.5296","0.0003","76.984","0.001","67.456","0.001","79.11","0.001","453.44","0.03","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C5 H7 N7 O2 S -","- C5 H7 N7 O2 S -","- C10 H14 N14 O4 S2 -","2","1","","Kumar, Parasar; Ghule, Vikas D.; Dharavath, Srinivas","Exploring new frontiers: alliance of pyrazole and thiadiazole in energetic materials.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7194","7197","10.1039/d5dt00730e","","","0.71073","MoKα","","0.036","0.0329","","","0.0902","0.0922","","","","","","1.068","","","","has coordinates","300929","2025-07-06","16:46:05",""
"7718531","9.3112","0.0003","16.9168","0.0005","8.2596","0.0003","90","","90.714","0.001","90","","1300.92","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N7 O5 S2 -","- C7 H9 N7 O5 S2 -","- C28 H36 N28 O20 S8 -","4","1","","Kumar, Parasar; Ghule, Vikas D.; Dharavath, Srinivas","Exploring new frontiers: alliance of pyrazole and thiadiazole in energetic materials.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7194","7197","10.1039/d5dt00730e","","","0.71073","MoKα","","0.0541","0.0421","","","0.109","0.1214","","","","","","1.056","","","","has coordinates","300929","2025-07-06","16:46:14",""
"7718532","5.3298","0.0002","13.0514","0.0004","15.3353","0.0005","90","","96.423","0.001","90","","1060.05","0.06","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H3 N9 O5 S -","- C5 H3 N9 O5 S -","- C20 H12 N36 O20 S4 -","4","1","","Kumar, Parasar; Ghule, Vikas D.; Dharavath, Srinivas","Exploring new frontiers: alliance of pyrazole and thiadiazole in energetic materials.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7194","7197","10.1039/d5dt00730e","","","0.71073","MoKα","","0.0277","0.0259","","","0.0646","0.0654","","","","","","1.058","","","","has coordinates","300929","2025-07-06","16:46:15",""
"7718533","13.0454","0.0005","16.6596","0.0006","21.321","0.0006","112.183","0.003","92.607","0.003","107.522","0.003","4024.6","0.3","149.9","0.4","149.9","0.4","","","","","","","","5","P -1","-P 1","2","","[Dy(PH*O)2(THF)3Cl]","","- C92 H110 Cl Dy O7 -","- C92 H110 Cl Dy O7 -","- C184 H220 Cl2 Dy2 O14 -","2","1","","Parmar, Vijay S.; Gransbury, Gemma K.; Corner, Sophie C.; Chou, Wei-Hao; Hill, Stephen; Winpenny, Richard E. P.; Chilton, Nicholas F.; Mills, David P.","Direct characterisation of <i>m</i><sub><i>J</i></sub> = ±15/2 ground state in octahedral Dy(III) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7616","7620","10.1039/d5dt00862j","","x-ray","0.71073","MoKα","","0.1093","0.0684","","","0.1319","0.1555","","","","","","0.973","","","","has coordinates,has disorder","300828","2025-07-06","16:05:01",""
"7718534","12.0671","0.0001","15.4384","0.0002","23.3235","0.0002","104.073","0.001","91.563","0.001","94.209","0.001","4198.74","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H114 Cl O8 Y -","- C96 H114 Cl O8 Y -","- C192 H228 Cl2 O16 Y2 -","2","1","","Parmar, Vijay S.; Gransbury, Gemma K.; Corner, Sophie C.; Chou, Wei-Hao; Hill, Stephen; Winpenny, Richard E. P.; Chilton, Nicholas F.; Mills, David P.","Direct characterisation of <i>m</i><sub><i>J</i></sub> = ±15/2 ground state in octahedral Dy(III) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7616","7620","10.1039/d5dt00862j","","x-ray","1.54184","CuKα","","0.0416","0.0397","","","0.1088","0.1102","","","","","","1.071","","","","has coordinates,has disorder","300828","2025-07-06","16:05:03",""
"7718535","12.1093","0.0004","15.3634","0.0007","23.6294","0.0009","105.495","0.004","93.553","0.003","94.744","0.003","4205.5","0.3","150.03","0.1","150.03","0.1","","","","","","","","5","P -1","-P 1","2","","[Dy(OPh*)2(THF)3Br]","","- C93 H111 Br Dy O5 -","- C93 H111 Br Dy O5 -","- C186 H222 Br2 Dy2 O10 -","2","1","","Parmar, Vijay S.; Gransbury, Gemma K.; Corner, Sophie C.; Chou, Wei-Hao; Hill, Stephen; Winpenny, Richard E. P.; Chilton, Nicholas F.; Mills, David P.","Direct characterisation of <i>m</i><sub><i>J</i></sub> = ±15/2 ground state in octahedral Dy(III) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7616","7620","10.1039/d5dt00862j","","x-ray","0.71073","MoKα","","0.0728","0.0511","","","0.1133","0.1277","","","","","","1.044","","","","has coordinates,has disorder","300828","2025-07-06","16:05:13",""
"7718536","13.6646","0.0003","18.218","0.0005","18.4204","0.0004","118.073","0.002","96.087","0.002","93.434","0.002","3991.66","0.18","100.02","0.13","100.02","0.13","","","","","","","","6","P -1","-P 1","2","","[5%Dy@Y(PH*O)2(THF)3Cl]","","- C84 H90 Cl Dy0.05 O5 Y0.95 -","- C84 H90 Cl Dy0.05 O5 Y0.95 -","- C168 H180 Cl2 Dy0.1 O10 Y1.9 -","2","1","","Parmar, Vijay S.; Gransbury, Gemma K.; Corner, Sophie C.; Chou, Wei-Hao; Hill, Stephen; Winpenny, Richard E. P.; Chilton, Nicholas F.; Mills, David P.","Direct characterisation of <i>m</i><sub><i>J</i></sub> = ±15/2 ground state in octahedral Dy(III) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7616","7620","10.1039/d5dt00862j","","x-ray","1.54184","CuKα","","0.0347","0.0323","","","0.0853","0.0867","","","","","","1.047","","","","has coordinates,has disorder","300828","2025-07-06","16:05:14",""
"7718537","17.886","0.003","15.68","0.003","20.64","0.003","90","","110.403","0.008","90","","5425.4","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H72 B2 N6 O2 S2 -","- C61 H72 B2 N6 O2 S2 -","- C244 H288 B8 N24 O8 S8 -","4","0.5","","Pattathil, Vignesh; Pranckevicius, Conor","CO and CS bond activation by an annulated 1,4,2-diazaborole.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8169","8173","10.1039/d5dt00642b","","","0.71073","MoKα","","0.1239","0.0761","","","0.1558","0.1852","","","","","","1.121","","","","has coordinates,has disorder","300856","2025-07-06","16:16:58",""
"7718538","7.563","0.0006","11.6778","0.0009","16.8015","0.0012","79.421","0.003","89.102","0.003","72.302","0.002","1388.36","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 B N4 S -","- C33 H33 B N4 S -","- C66 H66 B2 N8 S2 -","2","1","","Pattathil, Vignesh; Pranckevicius, Conor","CO and CS bond activation by an annulated 1,4,2-diazaborole.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8169","8173","10.1039/d5dt00642b","","","0.71073","MoKα","","0.1162","0.0555","","","0.0979","0.1199","","","","","","1.041","","","","has coordinates","300856","2025-07-06","16:16:58",""
"7718539","9.4822","0.0004","11.9253","0.0005","12.6868","0.0005","62.253","0.001","75.281","0.001","83.121","0.001","1227.97","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 B N4 S -","- C28 H31 B N4 S -","- C56 H62 B2 N8 S2 -","2","1","","Pattathil, Vignesh; Pranckevicius, Conor","CO and CS bond activation by an annulated 1,4,2-diazaborole.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8169","8173","10.1039/d5dt00642b","","","0.71073","MoKα","","0.0833","0.051","","","0.1151","0.1371","","","","","","1.043","","","","has coordinates","300856","2025-07-06","16:16:58",""
"7718540","17.6177","0.0011","8.6944","0.0005","15.4216","0.0009","90","","107.003","0.002","90","","2259","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 B N3 O2 -","- C27 H28 B N3 O2 -","- C108 H112 B4 N12 O8 -","4","1","","Pattathil, Vignesh; Pranckevicius, Conor","CO and CS bond activation by an annulated 1,4,2-diazaborole.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8169","8173","10.1039/d5dt00642b","","","0.71073","MoKα","","0.1337","0.0615","","","0.136","0.1646","","","","","","1.051","","","","has coordinates","300856","2025-07-06","16:16:58",""
"7718541","16.2727","0.0006","8.0712","0.0003","21.5149","0.0009","90","","90","","90","","2825.77","0.19","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H36 B N3 O -","- C34 H36 B N3 O -","- C136 H144 B4 N12 O4 -","4","1","","Pattathil, Vignesh; Pranckevicius, Conor","CO and CS bond activation by an annulated 1,4,2-diazaborole.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8169","8173","10.1039/d5dt00642b","","","0.71073","MoKα","","0.0562","0.0406","","","0.0773","0.0858","","","","","","1.061","","","","has coordinates","300856","2025-07-06","16:16:58",""
"7718542","10.7986","0.0006","11.9758","0.0006","21.0996","0.0011","102.707","0.002","90.477","0.002","99.59","0.002","2621.7","0.2","100.15","","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H65 B2 N9 S3 -","- C58 H65 B2 N9 S3 -","- C116 H130 B4 N18 S6 -","2","1","","Pattathil, Vignesh; Pranckevicius, Conor","CO and CS bond activation by an annulated 1,4,2-diazaborole.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8169","8173","10.1039/d5dt00642b","","","0.71073","MoKα","","0.1428","0.082","","","0.1542","0.1763","","","","","","1.089","","","","has coordinates,has disorder","300856","2025-07-06","16:16:58",""
"7718543","14.7375","0.0007","22.0921","0.0011","24.4726","0.0013","90","","101.945","0.002","90","","7795.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H94 B2 N6 O2 -","- C96 H94 B2 N6 O2 -","- C384 H376 B8 N24 O8 -","4","1","","Pattathil, Vignesh; Pranckevicius, Conor","CO and CS bond activation by an annulated 1,4,2-diazaborole.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8169","8173","10.1039/d5dt00642b","","","0.71073","MoKα","","0.0946","0.0495","","","0.0994","0.1147","","","","","","1.024","","","","has coordinates,has disorder","300856","2025-07-06","16:16:58",""
"7718544","6.8315","0.0003","6.8315","0.0003","19.3223","0.0009","90","","90","","120","","780.95","0.06","296","2","296","2","","","","","","","","3","P 65","P 65","170","","","","- Ga1.479 In0.521 Se3 -","- Ga1.479 In0.521 Se3 -","- Ga8.874 In3.126 Se18 -","6","1","","Sethi, Siddha Sankalpa; Lakshan, Achintya; Roy, Ahin; Das, Siddhartha; Das, Karabi; Jana, Partha Pratim","Unveiling the unique site preference of Ga in the defect wurtzite type In<sub>2</sub>Se<sub>3</sub>-Ga<sub>2</sub>Se<sub>3</sub> system: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8673","8682","10.1039/d5dt00231a","","x-ray","0.71073","MoKα","","0.0667","0.0411","","","0.0768","0.0858","","","","1.39","1.39","1.33","","","","has coordinates","300959","2025-07-06","16:59:53",""
"7718545","6.9915","0.0003","6.9915","0.0003","18.9741","0.0009","90","","90","","120","","803.22","0.06","296","2","296","2","","","","","","","","3","P 65","P 65","170","","","","- Ga0.768 In1.232 Se3 -","- Ga0.768 In1.232 Se3 -","- Ga4.608 In7.392 Se18 -","6","1","","Sethi, Siddha Sankalpa; Lakshan, Achintya; Roy, Ahin; Das, Siddhartha; Das, Karabi; Jana, Partha Pratim","Unveiling the unique site preference of Ga in the defect wurtzite type In<sub>2</sub>Se<sub>3</sub>-Ga<sub>2</sub>Se<sub>3</sub> system: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8673","8682","10.1039/d5dt00231a","","x-ray","0.71073","MoKα","","0.0196","0.019","","","0.046","0.0463","","","","1.49","1.49","1.48","","","","has coordinates","300959","2025-07-06","16:59:54",""
"7718546","6.9555","0.0003","6.9555","0.0003","18.8912","0.0009","90","","90","","120","","791.49","0.06","294","2","294","2","","","","","","","","3","P 65","P 65","170","","","","- Ga In Se3 -","- Ga In Se3 -","- Ga6 In6 Se18 -","6","1","","Sethi, Siddha Sankalpa; Lakshan, Achintya; Roy, Ahin; Das, Siddhartha; Das, Karabi; Jana, Partha Pratim","Unveiling the unique site preference of Ga in the defect wurtzite type In<sub>2</sub>Se<sub>3</sub>-Ga<sub>2</sub>Se<sub>3</sub> system: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8673","8682","10.1039/d5dt00231a","","x-ray","0.71073","MoKα","","0.0275","0.0253","","","0.058","0.0586","","","","1.61","1.61","1.58","","","","has coordinates","300959","2025-07-06","16:59:54",""
"7718547","6.9173","0.0003","6.9173","0.0003","19.039","0.0009","90","","90","","120","","788.95","0.06","296","2","296","2","","","","","","","","3","P 61","P 61","169","","","","- Ga1.285 In0.715 Se3 -","- Ga1.25 In0.75 Se3 -","- Ga7.5 In4.5 Se18 -","6","1","","Sethi, Siddha Sankalpa; Lakshan, Achintya; Roy, Ahin; Das, Siddhartha; Das, Karabi; Jana, Partha Pratim","Unveiling the unique site preference of Ga in the defect wurtzite type In<sub>2</sub>Se<sub>3</sub>-Ga<sub>2</sub>Se<sub>3</sub> system: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8673","8682","10.1039/d5dt00231a","","x-ray","0.71073","MoKα","","0.0575","0.0547","","","0.1483","0.1492","","","","2.47","2.47","2.41","","","","has coordinates","300959","2025-07-06","16:59:54",""
"7718548","7.0283","0.0003","7.0283","0.0003","19.0787","0.0009","90","","90","","120","","816.17","0.06","296","2","296","2","","","","","","","","3","P 65","P 65","170","","","","- Ga0.655 In1.345 Se3 -","- Ga0.655 In1.345 Se3 -","- Ga3.93 In8.07 Se18 -","6","1","","Sethi, Siddha Sankalpa; Lakshan, Achintya; Roy, Ahin; Das, Siddhartha; Das, Karabi; Jana, Partha Pratim","Unveiling the unique site preference of Ga in the defect wurtzite type In<sub>2</sub>Se<sub>3</sub>-Ga<sub>2</sub>Se<sub>3</sub> system: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8673","8682","10.1039/d5dt00231a","","x-ray","0.71073","MoKα","","0.0477","0.0456","","","0.1439","0.1446","","","","2.17","2.17","2.13","","","","has coordinates","300959","2025-07-06","16:59:54",""
"7718549","7.1477","0.0002","7.1477","0.0002","4.0139","0.0002","90","","90","","90","","205.069","0.013","295","2","295","2","","","","","","","","4","P -4","P -4","81","","","","- C4 H12 O5 W -","- C4 H12 O5 W -","- C4 H12 O5 W -","1","0.25","","Seisenbaeva, Gulaim A.; Kloo, Lars; Agback, Peter; Kessler, Vadim G.","Polymerisation isomerism of tungsten(VI) oxomethoxide: new insights into the structure and reactivity of non-cluster metal oxoalkoxide aggregates.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7611","7615","10.1039/d5dt00348b","","","0.71073","MoKα","","0.04","0.0316","","","0.0491","0.0518","","","","","","1.035","","","","has coordinates,has disorder","300826","2025-07-06","16:03:58",""
"7718550","13.917","0.002","11.3231","0.0017","22.002","0.003","90","","107.241","0.007","90","","3311.4","0.8","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H72 Li2 O51 W12 -","- C22 H72 Li2 O51 W12 -","- C44 H144 Li4 O102 W24 -","2","0.5","","Seisenbaeva, Gulaim A.; Kloo, Lars; Agback, Peter; Kessler, Vadim G.","Polymerisation isomerism of tungsten(VI) oxomethoxide: new insights into the structure and reactivity of non-cluster metal oxoalkoxide aggregates.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7611","7615","10.1039/d5dt00348b","","","0.71073","MoKα","","0.0379","0.0309","","","0.0815","0.0839","","","","","","1.111","","","","has coordinates,has disorder","300826","2025-07-06","16:04:02",""
"7718551","10.4442","0.0006","11.6796","0.0007","13.9016","0.001","90","","98.878","0.002","90","","1675.46","0.18","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 O10 W2 -","- C8 H24 O10 W2 -","- C32 H96 O40 W8 -","4","1","","Seisenbaeva, Gulaim A.; Kloo, Lars; Agback, Peter; Kessler, Vadim G.","Polymerisation isomerism of tungsten(VI) oxomethoxide: new insights into the structure and reactivity of non-cluster metal oxoalkoxide aggregates.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7611","7615","10.1039/d5dt00348b","","","0.71073","MoKα","","0.0436","0.0278","","","0.0589","0.0628","","","","","","1.084","","","","has coordinates","300826","2025-07-06","16:04:05",""
"7718552","13.1427","0.0015","7.0058","0.0008","36.927","0.004","90","","90","","90","","3400.1","0.7","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C10 H5 Cl4 Eu N2 O7 S2 -","- C10 H5 Cl4 Eu N2 O7 S2 -","- C80 H40 Cl32 Eu8 N16 O56 S16 -","8","1","","Sanzhenakova, E. A.; Smirnova, K. S.; Pozdnyakov, I. P.; Berezin, A. S.; Potkin, V. I.; Lider, E. V.","Structural diversity of photoluminescent lanthanide(III) coordination compounds with an isothiazole derivative.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7810","7818","10.1039/d5dt00127g","","","0.71073","MoKα","","0.0824","0.045","","","0.0936","0.1121","","","","","","0.991","","","","has coordinates","300829","2025-07-06","16:05:34",""
"7718553","15.1127","0.0009","15.7212","0.0008","16.1012","0.0008","83.437","0.002","73.608","0.002","83.519","0.002","3632.9","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H24 Cl36 N18 O48 S18 Tb6 -","- C72 H24 Cl36 N18 O48 S18 Tb6 -","- C72 H24 Cl36 N18 O48 S18 Tb6 -","1","0.5","","Sanzhenakova, E. A.; Smirnova, K. S.; Pozdnyakov, I. P.; Berezin, A. S.; Potkin, V. I.; Lider, E. V.","Structural diversity of photoluminescent lanthanide(III) coordination compounds with an isothiazole derivative.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7810","7818","10.1039/d5dt00127g","","","0.71073","MoKα","","0.0575","0.0395","","","0.0916","0.0968","","","","","","1.041","","","","has coordinates","300829","2025-07-06","16:05:35",""
"7718554","15.1212","0.0005","15.7752","0.0005","16.1319","0.0005","83.369","0.001","73.422","0.001","83.558","0.001","3650.8","0.2","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H36 Cl36 Eu6 N18 O50 S18 -","- C76 H36 Cl36 Eu6 N18 O50 S18 -","- C76 H36 Cl36 Eu6 N18 O50 S18 -","1","0.5","","Sanzhenakova, E. A.; Smirnova, K. S.; Pozdnyakov, I. P.; Berezin, A. S.; Potkin, V. I.; Lider, E. V.","Structural diversity of photoluminescent lanthanide(III) coordination compounds with an isothiazole derivative.","Dalton transactions (Cambridge, England : 2003)","2025","54","19","7810","7818","10.1039/d5dt00127g","","","0.71073","MoKα","","0.093","0.0484","","","0.0703","0.0808","","","","","","0.942","","","","has coordinates","300829","2025-07-06","16:05:35",""
"7718555","27.7616","0.0006","10.1552","0.0002","16.5696","0.0003","90","","90","","90","","4671.38","0.16","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C39 H34 Cu2 F9 N6 O11 S3 -","- C39 H35 Cu2 F9 N6 O11 S3 -","- C156 H140 Cu8 F36 N24 O44 S12 -","4","1","","Ramasubramanian, Ramamoorthy; Anandababu, Karunanithi; Kumar, Mukesh; Mayilmurugan, Ramasamy","A bioinspired model for copper monooxygenase: direct aromatic hydroxylation using O<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8788","8799","10.1039/d4dt02079k","","x-ray","1.54184","CuKα","","0.0752","0.0667","","","0.1803","0.1889","","","","","","1.07","","","","has coordinates","300769","2025-07-06","15:32:01",""
"7718556","16.3112","0.0004","17.5527","0.0005","14.4401","0.0003","90","","90","","90","","4134.28","0.18","293","","293","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C38 H34 Cu2 F6 N6 O8 S2 -","- C38 H34 Cu2 F6 N6 O8 S2 -","- C152 H136 Cu8 F24 N24 O32 S8 -","4","0.5","","Ramasubramanian, Ramamoorthy; Anandababu, Karunanithi; Kumar, Mukesh; Mayilmurugan, Ramasamy","A bioinspired model for copper monooxygenase: direct aromatic hydroxylation using O<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8788","8799","10.1039/d4dt02079k","","","1.54184","CuKα","","0.0798","0.0714","","","0.1966","0.2408","","","","","","1.14","","","","has coordinates","300769","2025-07-06","15:32:01",""
"7718557","11.0358","0.0008","6.7859","0.0006","11.4683","0.0007","90","","100.397","0.005","90","","844.73","0.11","150","","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-(benzylthio)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidine","","- C17 H18 N4 S -","- C17 H18 N4 S -","- C34 H36 N8 S2 -","2","0.5","","Skvortsova, Sofia V.; Verkhov, Fyodor K.; Nikolaenkova, Elena B.; Rakhmanova, Marianna I.; Kokina, Tatiana E.; Sukhikh, Taisiya S.; Shekhovtsov, Nikita A.; Bushuev, Mark B.","Interplay of the Cu⋯Cu distance and coordination geometry as a factor affecting the quantum efficiency in dimeric copper(I) halide complexes with derivatives of 4-pyrazolylpyrimidine-2-thiol.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9000","9015","10.1039/d5dt00498e","","","1.54178","CuKα","","0.0561","0.0385","","","0.0951","0.1027","","","","","","1.032","","","","has coordinates,has disorder","300785","2025-07-06","15:38:48",""
"7718558","9.405","0.002","9.845","0.002","19.15","0.005","90","","91.785","0.008","90","","1772.3","0.7","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(2-(benzylthio)-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine)-bis(mu2-iodo)-di-copper(I)","","- C32 H32 Cu2 I2 N8 S2 -","- C32 H32 Cu2 I2 N8 S2 -","- C64 H64 Cu4 I4 N16 S4 -","2","0.5","","Skvortsova, Sofia V.; Verkhov, Fyodor K.; Nikolaenkova, Elena B.; Rakhmanova, Marianna I.; Kokina, Tatiana E.; Sukhikh, Taisiya S.; Shekhovtsov, Nikita A.; Bushuev, Mark B.","Interplay of the Cu⋯Cu distance and coordination geometry as a factor affecting the quantum efficiency in dimeric copper(I) halide complexes with derivatives of 4-pyrazolylpyrimidine-2-thiol.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9000","9015","10.1039/d5dt00498e","","","0.71073","MoKα","","0.1146","0.0898","","","0.2021","0.2117","","","","","","1.3","","","","has coordinates,has disorder","300785","2025-07-06","15:38:48",""
"7718559","9.3376","0.0003","9.7651","0.0005","10.1034","0.0004","76.831","0.002","72.557","0.001","76","0.002","840.7","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","bis(2-(benzylthio)-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine)-bis(mu2-bromo)-di-copper(I)","","- C32 H32 Br2 Cu2 N8 S2 -","- C32 H32 Br2 Cu2 N8 S2 -","- C32 H32 Br2 Cu2 N8 S2 -","1","0.5","","Skvortsova, Sofia V.; Verkhov, Fyodor K.; Nikolaenkova, Elena B.; Rakhmanova, Marianna I.; Kokina, Tatiana E.; Sukhikh, Taisiya S.; Shekhovtsov, Nikita A.; Bushuev, Mark B.","Interplay of the Cu⋯Cu distance and coordination geometry as a factor affecting the quantum efficiency in dimeric copper(I) halide complexes with derivatives of 4-pyrazolylpyrimidine-2-thiol.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9000","9015","10.1039/d5dt00498e","","","0.71073","MoKα","","0.0417","0.0318","","","0.0644","0.0684","","","","","","1.033","","","","has coordinates","300785","2025-07-06","15:38:48",""
"7718560","9.7622","0.0005","9.9792","0.0005","10.2039","0.0005","77.565","0.003","71.076","0.002","79.975","0.003","912.4","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","bis(2-(benzylthio)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidine)-bis(mu2-iodo)-di-copper(I)","","- C34 H36 Cu2 I2 N8 S2 -","- C34 H36 Cu2 I2 N8 S2 -","- C34 H36 Cu2 I2 N8 S2 -","1","0.5","","Skvortsova, Sofia V.; Verkhov, Fyodor K.; Nikolaenkova, Elena B.; Rakhmanova, Marianna I.; Kokina, Tatiana E.; Sukhikh, Taisiya S.; Shekhovtsov, Nikita A.; Bushuev, Mark B.","Interplay of the Cu⋯Cu distance and coordination geometry as a factor affecting the quantum efficiency in dimeric copper(I) halide complexes with derivatives of 4-pyrazolylpyrimidine-2-thiol.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9000","9015","10.1039/d5dt00498e","","","1.54178","CuKα","","0.0407","0.0379","","","0.1011","0.1038","","","","","","1.104","","","","has coordinates","300785","2025-07-06","15:38:48",""
"7718561","9.5514","0.001","10.0363","0.0012","10.101","0.001","77.316","0.004","70.532","0.004","76.891","0.004","878.14","0.17","150","","150","","","","","","","","","6","P -1","-P 1","2","","bis(2-(benzylthio)-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine)-bis(mu2-iodo)-di-copper(I)","","- C32 H32 Cu2 I2 N8 S2 -","- C32 H32 Cu2 I2 N8 S2 -","- C32 H32 Cu2 I2 N8 S2 -","1","0.5","","Skvortsova, Sofia V.; Verkhov, Fyodor K.; Nikolaenkova, Elena B.; Rakhmanova, Marianna I.; Kokina, Tatiana E.; Sukhikh, Taisiya S.; Shekhovtsov, Nikita A.; Bushuev, Mark B.","Interplay of the Cu⋯Cu distance and coordination geometry as a factor affecting the quantum efficiency in dimeric copper(I) halide complexes with derivatives of 4-pyrazolylpyrimidine-2-thiol.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9000","9015","10.1039/d5dt00498e","","","0.71073","MoKα","","0.0489","0.0369","","","0.065","0.0713","","","","","","1.036","","","","has coordinates","300785","2025-07-06","15:38:48",""
"7718562","4.9099","0.0001","24.0621","0.0005","12.6078","0.0002","90","","95.836","0.001","90","","1481.8","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(benzylthio)-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine","","- C16 H16 N4 S -","- C16 H16 N4 S -","- C64 H64 N16 S4 -","4","1","","Skvortsova, Sofia V.; Verkhov, Fyodor K.; Nikolaenkova, Elena B.; Rakhmanova, Marianna I.; Kokina, Tatiana E.; Sukhikh, Taisiya S.; Shekhovtsov, Nikita A.; Bushuev, Mark B.","Interplay of the Cu⋯Cu distance and coordination geometry as a factor affecting the quantum efficiency in dimeric copper(I) halide complexes with derivatives of 4-pyrazolylpyrimidine-2-thiol.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9000","9015","10.1039/d5dt00498e","","","0.71073","MoKα","","0.0334","0.0302","","","0.0799","0.0827","","","","","","1.05","","","","has coordinates","300785","2025-07-06","15:38:48",""
"7718563","16.6328","0.0007","18.661","0.0006","20.735","0.001","90","","89.93","0.004","90","","6435.8","0.5","273","2","273","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H52 Li N O3 P2 Si -","- C27 H52 Li N O3 P2 Si -","- C216 H416 Li8 N8 O24 P16 Si8 -","8","4","","Ziółkowska, Aleksandra; Błaszkiewicz, Wiktoria; Kruczyński, Tomasz","The effect of substituents on the P-P and PC bond properties in phosphanylphosphaalkenes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8041","8044","10.1039/d5dt00692a","","x-ray","0.71073","MoKα","","0.0855","0.0638","","","0.1448","0.1567","","","","","","0.985","","","","has coordinates","300866","2025-07-06","16:22:18",""
"7718564","10.4094","0.0014","12.1438","0.0011","18.347","0.003","90","","93.115","0.011","90","","2315.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H37 N P2 Si2 -","- C18 H37 N P2 Si2 -","- C72 H148 N4 P8 Si8 -","4","1","","Ziółkowska, Aleksandra; Błaszkiewicz, Wiktoria; Kruczyński, Tomasz","The effect of substituents on the P-P and PC bond properties in phosphanylphosphaalkenes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8041","8044","10.1039/d5dt00692a","","x-ray","0.71073","MoKα","","0.1414","0.0626","","","0.1342","0.1624","","","","","","0.968","","","","has coordinates","300866","2025-07-06","16:22:19",""
"7718565","11.1097","0.0006","11.8221","0.0006","20.0269","0.001","102.679","0.004","94.734","0.004","92.838","0.004","2551.2","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H68 Li N O6 P2 -","- C41 H68 Li N O6 P2 -","- C82 H136 Li2 N2 O12 P4 -","2","1","","Ziółkowska, Aleksandra; Błaszkiewicz, Wiktoria; Kruczyński, Tomasz","The effect of substituents on the P-P and PC bond properties in phosphanylphosphaalkenes.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8041","8044","10.1039/d5dt00692a","","x-ray","0.71073","MoKα","","0.1614","0.0939","","","0.1864","0.2216","","","","","","1.085","","","","has coordinates,has disorder","300866","2025-07-06","16:22:19",""
"7718566","7.4919","0.0003","17.699","0.0006","6.305","0.0002","90","","98.893","0.003","90","","825.99","0.05","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C5 H7 F2 I N2 O2 -","- C5 H7 F2 I N2 O2 -","- C20 H28 F8 I4 N8 O8 -","4","0.5","","Yuan, Si; Hu, Chun-Li; Mao, Jiang-Gao","(C<sub>5</sub>N<sub>2</sub>H<sub>7</sub>)IO<sub>2</sub>F<sub>2</sub> and (C<sub>3</sub>N<sub>6</sub>H<sub>8</sub>)(IO<sub>2</sub>F<sub>2</sub>)<sub>2</sub>: two new organic-inorganic hybrid fluoroiodate birefringent crystals.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8667","8672","10.1039/d5dt00524h","","","0.71073","MoKα","","0.0174","0.0169","","","0.0413","0.0415","","","","","","1.175","","","","has coordinates,has disorder","300957","2025-07-06","16:58:41",""
"7718567","19.8063","0.0007","8.0742","0.0003","7.2996","0.0003","90","","96.819","0.003","90","","1159.09","0.08","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H8 F4 I2 N6 O4 -","- C3 H8 F4 I2 N6 O4 -","- C12 H32 F16 I8 N24 O16 -","4","0.5","","Yuan, Si; Hu, Chun-Li; Mao, Jiang-Gao","(C<sub>5</sub>N<sub>2</sub>H<sub>7</sub>)IO<sub>2</sub>F<sub>2</sub> and (C<sub>3</sub>N<sub>6</sub>H<sub>8</sub>)(IO<sub>2</sub>F<sub>2</sub>)<sub>2</sub>: two new organic-inorganic hybrid fluoroiodate birefringent crystals.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8667","8672","10.1039/d5dt00524h","","","0.71073","MoKα","","0.0198","0.0188","","","0.0493","0.0498","","","","","","1.217","","","","has coordinates","300957","2025-07-06","16:58:50",""
"7718568","16.0396","0.0012","17.9001","0.0012","16.5444","0.0011","90","","108.004","0.008","90","","4517.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H34 Cl6 Mg N4 O2 -","- C50 H34 Cl6 Mg N4 O2 -","- C200 H136 Cl24 Mg4 N16 O8 -","4","1","","Choudhury, Abdul K.; Bhuyan, Jagannath","Acetylacetone as an axial ligand in metalloporphyrin: its first crystal structure, coordination chemistry, and potential application as an efficient photosensitizer.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8932","8944","10.1039/d5dt00010f","","","0.71073","MoKα","","0.1284","0.0927","","","0.2453","0.2861","","","","","","1.036","","","","has coordinates","300773","2025-07-06","15:32:46",""
"7718569","18.3294","0.0007","8.3314","0.0004","11.9719","0.0006","90","","104.643","0.003","90","","1768.84","0.14","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","LH2","","","- C40 H58 O2 -","- C40 H58 O2 -","- C80 H116 O4 -","2","0.5","","Vagiakos, Ioannis; Tsoureas, Nikolaos; Huang, Tianyin; Christodoulou, Stella; Maron, Laurent; Pickl, Thomas; Mink, János; Halter, Dominik P.","Monomeric M(II) (M = Fe, Co, Ni) complexes supported by bulky aryloxide ligands tethered to an arene functionality; synthesis, electrochemistry and study of the M(II)-arene interaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8683","8694","10.1039/d5dt00482a","","","1.54178","CuKα","","0.0581","0.0437","","","0.0922","0.0994","","","","","","1.058","","","","has coordinates","300958","2025-07-06","16:59:31",""
"7718570","11.7146","0.0008","13.4105","0.001","14.5881","0.001","109.675","0.002","105.668","0.002","98.353","0.002","2006","0.2","100","2","100","","","","","","","","","4","P -1","-P 1","2","2-Co.THF","2-Co.THF","","- C44 H64 Co O3 -","- C44 H64 Co O3 -","- C88 H128 Co2 O6 -","2","1","","Vagiakos, Ioannis; Tsoureas, Nikolaos; Huang, Tianyin; Christodoulou, Stella; Maron, Laurent; Pickl, Thomas; Mink, János; Halter, Dominik P.","Monomeric M(II) (M = Fe, Co, Ni) complexes supported by bulky aryloxide ligands tethered to an arene functionality; synthesis, electrochemistry and study of the M(II)-arene interaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8683","8694","10.1039/d5dt00482a","","","0.71073","MoKα","","0.0661","0.0414","","","0.0977","0.1089","","","","","","1.074","","","","has coordinates","300958","2025-07-06","16:59:32",""
"7718571","38.2316","0.0015","10.9254","0.0004","19.6425","0.0008","90","","111.61","0.002","90","","7627.9","0.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-Co","2-Co","","- C87 H120 Co2 O4 -","- C87 H120 Co2 O4 -","- C348 H480 Co8 O16 -","4","0.5","","Vagiakos, Ioannis; Tsoureas, Nikolaos; Huang, Tianyin; Christodoulou, Stella; Maron, Laurent; Pickl, Thomas; Mink, János; Halter, Dominik P.","Monomeric M(II) (M = Fe, Co, Ni) complexes supported by bulky aryloxide ligands tethered to an arene functionality; synthesis, electrochemistry and study of the M(II)-arene interaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8683","8694","10.1039/d5dt00482a","","","1.54178","CuKα","","0.0543","0.0516","","","0.1501","0.1529","","","","","","1.055","","","","has coordinates,has disorder","300958","2025-07-06","16:59:32",""
"7718572","11.758","0.0011","13.5926","0.0011","14.6117","0.0009","108.448","0.003","106.081","0.002","98.129","0.003","2060.3","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","2-Fe.THF","2-Fe.THF","","- C46 H68 Fe O3.5 -","- C46 H68 Fe O3.5 -","- C92 H136 Fe2 O7 -","2","1","","Vagiakos, Ioannis; Tsoureas, Nikolaos; Huang, Tianyin; Christodoulou, Stella; Maron, Laurent; Pickl, Thomas; Mink, János; Halter, Dominik P.","Monomeric M(II) (M = Fe, Co, Ni) complexes supported by bulky aryloxide ligands tethered to an arene functionality; synthesis, electrochemistry and study of the M(II)-arene interaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8683","8694","10.1039/d5dt00482a","","","0.71073","MoKα","","0.0385","0.0333","","","0.0863","0.0897","","","","","","1.029","","","","has coordinates,has disorder","300958","2025-07-06","16:59:32",""
"7718573","37.508","0.002","11.0766","0.0007","19.8485","0.0012","90","","110.908","0.002","90","","7703.3","0.8","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-Fe","2-Fe","","- C87 H120 Fe2 O4 -","- C87 H120 Fe2 O4 -","- C348 H480 Fe8 O16 -","4","0.5","","Vagiakos, Ioannis; Tsoureas, Nikolaos; Huang, Tianyin; Christodoulou, Stella; Maron, Laurent; Pickl, Thomas; Mink, János; Halter, Dominik P.","Monomeric M(II) (M = Fe, Co, Ni) complexes supported by bulky aryloxide ligands tethered to an arene functionality; synthesis, electrochemistry and study of the M(II)-arene interaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8683","8694","10.1039/d5dt00482a","","","0.71073","MoKα","","0.0524","0.0405","","","0.1117","0.122","","","","","","1.044","","","","has coordinates,has disorder","300958","2025-07-06","16:59:32",""
"7718574","10.5754","0.001","13.2838","0.001","14.3962","0.0012","84.035","0.007","84.047","0.007","72.058","0.008","1908.1","0.3","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","2-Ni","2_Ni","","- C43 H63 Ni O2 -","- C43 H63 Ni O2 -","- C86 H126 Ni2 O4 -","2","1","","Vagiakos, Ioannis; Tsoureas, Nikolaos; Huang, Tianyin; Christodoulou, Stella; Maron, Laurent; Pickl, Thomas; Mink, János; Halter, Dominik P.","Monomeric M(II) (M = Fe, Co, Ni) complexes supported by bulky aryloxide ligands tethered to an arene functionality; synthesis, electrochemistry and study of the M(II)-arene interaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8683","8694","10.1039/d5dt00482a","","","1.54184","CuKα","","0.1019","0.0699","","","0.1755","0.2068","","","","","","1.066","","","","has coordinates,has disorder","300958","2025-07-06","16:59:32",""
"7718575","6.754","0.002","9.061","0.003","14.743","0.004","90","","98.556","0.009","90","","892.2","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 N10 O2 -","- C5 H4 N10 O2 -","- C20 H16 N40 O8 -","4","1","","Sereda, Vera A.; Dubasova, Ekaterina V.; Ananyev, Ivan V.; Kosareva, Ekaterina K.; Fershtat, Leonid L.","Exploring the energetic potential of 2,5-disubstituted tetrazoles: a case of 2,5-bis(oxadiazolyl)tetrazoles.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8870","8880","10.1039/d5dt00685f","","","0.71073","MoKα","","0.0995","0.0504","","","0.1281","0.1617","","","","","","0.793","","","","has coordinates","300778","2025-07-06","15:34:43",""
"7718576","8.9657","0.0004","12.1892","0.0005","16.1224","0.0007","105.34","0.002","96.598","0.002","99.266","0.002","1653.87","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H2 N18 O4 -","- C10 H2 N18 O4 -","- C40 H8 N72 O16 -","4","2","","Sereda, Vera A.; Dubasova, Ekaterina V.; Ananyev, Ivan V.; Kosareva, Ekaterina K.; Fershtat, Leonid L.","Exploring the energetic potential of 2,5-disubstituted tetrazoles: a case of 2,5-bis(oxadiazolyl)tetrazoles.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8870","8880","10.1039/d5dt00685f","","","0.71073","MoKα","","0.0708","0.0416","","","0.0937","0.1014","","","","","","1.025","","","","has coordinates,has disorder","300778","2025-07-06","15:34:43",""
"7718577","26.084","0.005","7.381","0.0015","13.419","0.003","90","","93.08","0.03","90","","2579.8","0.9","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 F Ga N4 O5 -","- C27 H36 F Ga N4 O5 -","- C108 H144 F4 Ga4 N16 O20 -","4","1","","Koay, HuiJing; Haskali, Mohammad B.; Van Zuylekom, Jessica; Cullinane, Carleen; McLean, Catriona A.; White, Jonathan M.; Roselt, Peter D.; Donnelly, Paul S.","A gallium fluoride-18 complex containing a pentadentate macrocyclic ligand with a dimethylaminostilbene functional group designed for diagnostic imaging of Alzheimer's disease.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8945","8955","10.1039/d5dt00621j","","","0.710755","Synchrotron","","0.0447","0.039","","","0.1098","0.114","","","","","","1.095","","","","has coordinates","300786","2025-07-06","15:39:02",""
"7718578","13.876","0.0004","13.876","0.0004","6.4437","0.0004","90","","90","","90","","1240.69","0.09","293","2","293","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","","","","- C32 H16 Br0.75 Li N8 -","- C32 H16 Br0.75 Li N8 -","- C64 H32 Br1.5 Li2 N16 -","2","0.125","","Kaneko, Mayu; Masuda, Masahiro; Teruya, Ryota; Sato, Tetsu; Akutagawa, Tomoyuki; Matsuda, Masaki","Insulator-metal transition induced by band-filling modulation in molecular Mott insulators.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8331","8335","10.1039/d5dt00525f","","x-ray","0.71073","MoKα","","0.1023","0.0637","","","0.1557","0.1721","","","","","","1.063","","","","has coordinates","300867","2025-07-06","16:22:28",""
"7718579","14.2466","0.0004","14.2466","0.0004","6.4808","0.0004","90","","90","","90","","1315.38","0.1","293","2","293","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","","","","- C36 H20 I0.75 Li N4 -","- C36 H20 I0.75 Li N4 -","- C72 H40 I1.5 Li2 N8 -","2","0.125","","Kaneko, Mayu; Masuda, Masahiro; Teruya, Ryota; Sato, Tetsu; Akutagawa, Tomoyuki; Matsuda, Masaki","Insulator-metal transition induced by band-filling modulation in molecular Mott insulators.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8331","8335","10.1039/d5dt00525f","","x-ray","0.71073","MoKα","","0.0745","0.0495","","","0.1114","0.1216","","","","","","0.973","","","","has coordinates","300867","2025-07-06","16:22:28",""
"7718580","16.553","0.002","16.8037","0.0018","19.306","0.002","90","","90","","90","","5370","1","120","","120","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C48 H80 B F6 N O5 Os P2 S2 -","- C48 H80 B F6 N O5 Os P2 S2 -","- C192 H320 B4 F24 N4 O20 Os4 P8 S8 -","4","1","","Yang, Xiaowen; Tian, Minghui; Wei, Yongliang; Han, Feifei; Wang, Tongdao","Syntheses and structures of cationic osmium bis(σ-B-H) borane complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9069","9075","10.1039/d5dt00777a","","x-ray","0.71073","MoKα","","0.0714","0.0443","","","0.0798","0.0875","","","","","","1.003","","","","has coordinates,has disorder","300788","2025-07-06","15:39:48",""
"7718581","16.85","0.004","18.96","0.005","16.99","0.004","90","","94.936","0.007","90","","5408","2","120","","120","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C46 H76 B Cl2 F6 N O5 Os P2 S2 -","- C46 H76 B Cl2 F6 N O5 Os P2 S2 -","- C184 H304 B4 Cl8 F24 N4 O20 Os4 P8 S8 -","4","1","","Yang, Xiaowen; Tian, Minghui; Wei, Yongliang; Han, Feifei; Wang, Tongdao","Syntheses and structures of cationic osmium bis(σ-B-H) borane complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9069","9075","10.1039/d5dt00777a","","x-ray","0.71073","MoKα","","0.0449","0.0364","","","0.0931","0.0963","","","","","","1.053","","","","has coordinates,has disorder","300788","2025-07-06","15:39:48",""
"7718582","11.4163","0.0006","12.5682","0.0007","21.6954","0.0013","90","","96.603","0.002","90","","3092.3","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 I N Pd S2 -","- C14 H12 I N Pd S2 -","- C112 H96 I8 N8 Pd8 S16 -","8","2","","Ataie, Saeed; Khanzadeh, Atousa; Tom Baker, R.","A palladium thiolate-SNS complex-catalyst for Mizoroki-Heck cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8050","8054","10.1039/d5dt01008j","","","0.71073","MoKα","","0.0485","0.0297","","","0.0615","0.0679","","","","","","1.022","","","","has coordinates","300859","2025-07-06","16:18:17",""
"7718583","12.0855","0.0007","15.9618","0.0008","14.588","0.0007","90","","111.774","0.002","90","","2613.3","0.2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 Pd S4 -","- C28 H24 N2 Pd S4 -","- C112 H96 N8 Pd4 S16 -","4","0.5","","Ataie, Saeed; Khanzadeh, Atousa; Tom Baker, R.","A palladium thiolate-SNS complex-catalyst for Mizoroki-Heck cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8050","8054","10.1039/d5dt01008j","","","0.71073","MoKα","","0.0401","0.0319","","","0.0635","0.0672","","","","","","1.057","","","","has coordinates","300859","2025-07-06","16:18:17",""
"7718584","11.3905","0.0009","16.2021","0.0013","16.8244","0.0013","100.302","0.002","103.645","0.002","102.354","0.002","2860.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H48 N4 Pd4 S8 -","- C64 H48 N4 Pd4 S8 -","- C128 H96 N8 Pd8 S16 -","2","1","","Ataie, Saeed; Khanzadeh, Atousa; Tom Baker, R.","A palladium thiolate-SNS complex-catalyst for Mizoroki-Heck cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8050","8054","10.1039/d5dt01008j","","","0.71073","MoKα","","0.1345","0.0582","","","0.1195","0.1549","","","","","","0.967","","","","has coordinates","300859","2025-07-06","16:18:17",""
"7718585","9.3921","0.00009","16.48858","0.00014","13.74501","0.00013","90","","109.048","0.0011","90","","2012.04","0.03","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Br Cl Cu N2 O3 -","- C23 H16 Br Cl Cu N2 O3 -","- C92 H64 Br4 Cl4 Cu4 N8 O12 -","4","1","","Paramanik, Krishnendu; Bandopadhyay, Nilaj; Sarkar, Gayetri; Ghosh, Sourav; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Ghosh, Prasanta; Biswas, Bhaskar; Das, Hari Sankar","Phenalenyl-based copper complex catalyzed direct biarylation of furan.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8045","8049","10.1039/d5dt00299k","","x-ray","1.54184","CuKα","","0.0398","0.0394","","","0.1008","0.1013","","","","","","1.099","","","","has coordinates","300870","2025-07-06","16:23:22",""
"7718586","6.0745","0.0005","29.885","0.002","7.2125","0.0005","90","","90","","90","","1309.33","0.17","100.01","0.1","100.01","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C17 H13 Cl O -","- C17 H13 Cl O -","- C68 H52 Cl4 O4 -","4","0.5","","Paramanik, Krishnendu; Bandopadhyay, Nilaj; Sarkar, Gayetri; Ghosh, Sourav; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Ghosh, Prasanta; Biswas, Bhaskar; Das, Hari Sankar","Phenalenyl-based copper complex catalyzed direct biarylation of furan.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8045","8049","10.1039/d5dt00299k","","x-ray","1.54184","CuKα","","0.0671","0.0613","","","0.1707","0.1766","","","","","","1.103","","","","has coordinates,has disorder","300870","2025-07-06","16:23:22",""
"7718587","8.404","0.0003","13.2209","0.0004","16.2937","0.0006","90","","94.589","0.003","90","","1804.56","0.11","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 Cl Cu N2 O2 -","- C23 H15 Cl Cu N2 O2 -","- C92 H60 Cl4 Cu4 N8 O8 -","4","1","","Paramanik, Krishnendu; Bandopadhyay, Nilaj; Sarkar, Gayetri; Ghosh, Sourav; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Ghosh, Prasanta; Biswas, Bhaskar; Das, Hari Sankar","Phenalenyl-based copper complex catalyzed direct biarylation of furan.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8045","8049","10.1039/d5dt00299k","","x-ray","0.71073","MoKα","","0.0663","0.0546","","","0.152","0.1607","","","","","","1.073","","","","has coordinates","300870","2025-07-06","16:23:22",""
"7718588","10.8183","0.0003","11.9929","0.0003","12.8554","0.0004","63.89","0.003","79.91","0.002","75.149","0.002","1443.91","0.08","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Cl N O -","- C15 H22 Cl N O -","- C60 H88 Cl4 N4 O4 -","4","2","","Paramanik, Krishnendu; Bandopadhyay, Nilaj; Sarkar, Gayetri; Ghosh, Sourav; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Ghosh, Prasanta; Biswas, Bhaskar; Das, Hari Sankar","Phenalenyl-based copper complex catalyzed direct biarylation of furan.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8045","8049","10.1039/d5dt00299k","","x-ray","1.54184","CuKα","","0.0377","0.0359","","","0.0964","0.0981","","","","","","1.084","","","","has coordinates","300870","2025-07-06","16:23:22",""
"7718589","10.0947","0.0004","13.1152","0.0005","17.2101","0.0007","69.742","0.001","73.8","0.001","86.799","0.001","2050.59","0.14","286.1","","286.1","","","","","","","","","7","P -1","-P 1","2","[Dy(TMPO)2(SCN)3(H2O)2]","","","- C27 H52 Dy N9 O10 P2 S3 -","- C27 H52 Dy N9 O10 P2 S3 -","- C54 H104 Dy2 N18 O20 P4 S6 -","2","1","","Liu, Bei; Dong, Xiao-Yan; Gong, Hui-Wen; Sun, Zheng; Sun, Rong; Zhu, Wen-Hua; Zhang, Lei; Sun, Hao-Ling; Zhao, Man-Yun; Huang, Ning-Ning; Bian, Qing-Yan; Gao, Song","Synergistic construction of highly symmetrical lanthanide single-ion magnets using neutral phosphoryl and anionic thiocyanate ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9039","9048","10.1039/d5dt00339c","","","0.71073","MoKα","","0.0362","0.0273","","","0.0576","0.0627","","","","","","1.012","","","","has coordinates,has disorder","300776","2025-07-06","15:34:10",""
"7718590","26.6565","0.0013","24.4382","0.0011","16.725","0.0007","90","","90","","90","","10895.3","0.9","150.15","","150.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","[Dy(HMPA)4(SCN)2](PF6), DongXY-25Mar26a","","","- C26 H72 Dy F6 N14 O4 P5 S2 -","- C26 H72 Dy F6 N14 O4 P5 S2 -","- C208 H576 Dy8 F48 N112 O32 P40 S16 -","8","1","","Liu, Bei; Dong, Xiao-Yan; Gong, Hui-Wen; Sun, Zheng; Sun, Rong; Zhu, Wen-Hua; Zhang, Lei; Sun, Hao-Ling; Zhao, Man-Yun; Huang, Ning-Ning; Bian, Qing-Yan; Gao, Song","Synergistic construction of highly symmetrical lanthanide single-ion magnets using neutral phosphoryl and anionic thiocyanate ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9039","9048","10.1039/d5dt00339c","","","0.71073","MoKα","","0.1272","0.0929","","","0.2112","0.2295","","","","","","1.092","","","","has coordinates,has disorder","300776","2025-07-06","15:34:12",""
"7718591","10.0875","0.0001","13.1011","0.0001","17.1769","0.0001","69.675","0.001","73.77","0.001","86.758","0.001","2041.81","0.03","153.15","","153.15","","","","","","","","","7","P -1","-P 1","2","[Ho(TMPO)2(SCN)3(H2O)2]","","","- C27 H52 Ho N9 O10 P2 S3 -","- C27 H52 Ho N9 O10 P2 S3 -","- C54 H104 Ho2 N18 O20 P4 S6 -","2","1","","Liu, Bei; Dong, Xiao-Yan; Gong, Hui-Wen; Sun, Zheng; Sun, Rong; Zhu, Wen-Hua; Zhang, Lei; Sun, Hao-Ling; Zhao, Man-Yun; Huang, Ning-Ning; Bian, Qing-Yan; Gao, Song","Synergistic construction of highly symmetrical lanthanide single-ion magnets using neutral phosphoryl and anionic thiocyanate ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9039","9048","10.1039/d5dt00339c","","","1.54178","CuKα","","0.0312","0.0301","","","0.077","0.0779","","","","","","1.029","","","","has coordinates,has disorder","300776","2025-07-06","15:34:12",""
"7718592","19.717","0.0004","24.9048","0.0005","17.7571","0.0003","90","","103.526","0.002","90","","8477.7","0.3","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Dy(TMPO)2(SCN)3(H2O)2][Dy(TMPO)2(SCN)2(H2O)3](SCN)(H2O)2","","","- C54 H110 Dy2 N18 O23 P4 S6 -","- C54 H110 Dy2 N18 O23 P4 S6 -","- C216 H440 Dy8 N72 O92 P16 S24 -","4","1","","Liu, Bei; Dong, Xiao-Yan; Gong, Hui-Wen; Sun, Zheng; Sun, Rong; Zhu, Wen-Hua; Zhang, Lei; Sun, Hao-Ling; Zhao, Man-Yun; Huang, Ning-Ning; Bian, Qing-Yan; Gao, Song","Synergistic construction of highly symmetrical lanthanide single-ion magnets using neutral phosphoryl and anionic thiocyanate ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9039","9048","10.1039/d5dt00339c","","","1.54184","CuKα","","0.0534","0.0436","","","0.1052","0.1105","","","","","","1.055","","","","has coordinates,has disorder","300776","2025-07-06","15:34:12",""
"7718593","17.0099","0.0002","6.00199","0.00008","28.8341","0.0003","90","","90","","90","","2943.77","0.06","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","trimethylsulfonium bromocuprate","","- C3 H9 Br3 Cu2 S -","- C3 H9 Br3 Cu2 S -","- C36 H108 Br36 Cu24 S12 -","12","1.5","","Petrov, Andrey A.; Chen, Luyi; Li, Mingming; Fateev, Sergey A.; Petrov, Andrey V.; Khrustalev, Victor N.; Tarasov, Alexey B.","Crystal structures and luminescence properties of halocuprates with trimethylsulfonium cations.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9088","9094","10.1039/d5dt00852b","","","1.54184","CuKα","","0.062","0.0595","","","0.1329","0.1341","","","","","","1.05","","","","has coordinates,has disorder","300779","2025-07-06","15:35:06",""
"7718594","14.3468","0.0009","10.2589","0.0006","12.0601","0.0008","90","","124.698","0.002","90","","1459.37","0.16","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trimethylsulfonium bromocuprate","","- C6 H18 Br3 Cu S2 -","- C6 H18 Br3 Cu S2 -","- C24 H72 Br12 Cu4 S8 -","4","0.5","","Petrov, Andrey A.; Chen, Luyi; Li, Mingming; Fateev, Sergey A.; Petrov, Andrey V.; Khrustalev, Victor N.; Tarasov, Alexey B.","Crystal structures and luminescence properties of halocuprates with trimethylsulfonium cations.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9088","9094","10.1039/d5dt00852b","","x-ray","0.71073","MoKα","","0.044","0.0304","","","0.0634","0.0689","","","","","","1.063","","","","has coordinates","300779","2025-07-06","15:35:07",""
"7718595","17.7139","0.0014","6.3941","0.0006","29.86","0.002","90","","90","","90","","3382.1","0.5","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","trimethylsulfonium iodocuprate","","- C3 H9 Cu2 I3 S -","- C9 H24 Cu6 I9 S3 -","- C36 H96 Cu24 I36 S12 -","4","0.5","","Petrov, Andrey A.; Chen, Luyi; Li, Mingming; Fateev, Sergey A.; Petrov, Andrey V.; Khrustalev, Victor N.; Tarasov, Alexey B.","Crystal structures and luminescence properties of halocuprates with trimethylsulfonium cations.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9088","9094","10.1039/d5dt00852b","","x-ray","0.71073","MoKα","","0.0445","0.0336","","","0.074","0.0792","","","","","","1.072","","","","has coordinates,has disorder","300779","2025-07-06","15:35:07",""
"7718596","18.6202","0.0016","19.6569","0.0016","38.958","0.003","95.906","0.002","102.223","0.002","107.887","0.001","13044.4","1.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- K9 Na16.5 Nb49 O192.5 Sc3 -","- K9 Na16.5 Nb49 O192.5 Sc3 -","- K18 Na33 Nb98 O385 Sc6 -","2","1","","Lin, Ya-Ting; Zeng, Li; Li, Yi-Ying; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","A scandium-containing polyoxoniobate heptamer as a catalyst for the Knoevenagel condensation reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8425","8429","10.1039/d5dt00569h","","","0.71073","MoKα","","0.0545","0.0497","","","0.1207","0.1245","","","","","","1.023","","","","has coordinates,has disorder","300961","2025-07-06","17:00:42",""
"7718597","7.3525","0.0002","7.6217","0.0002","10.4277","0.0003","90","","101.177","0.003","90","","573.27","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H10 O2 Pt S4 -","- C6 H10 O2 Pt S4 -","- C12 H20 O4 Pt2 S8 -","2","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Rozhkov, Anton V.; Kukushkin, Vadim Yu; Bokach, Nadezhda A.","Engineering metal site behavior: electrophilic-nucleophilic dualism in square-planar platinum(II) through geometry-controlled switching.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9076","9087","10.1039/d5dt00802f","","x-ray","1.54184","CuKα","","0.0386","0.0382","","","0.099","0.0993","","","","","","1.056","","","","has coordinates","300777","2025-07-06","15:34:32",""
"7718598","4.4993","0.0003","11.1792","0.0007","28.4149","0.0018","90","","90.952","0.007","90","","1429.03","0.16","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 F8 I4 O2 Pt S4 -","- C18 H10 F8 I4 O2 Pt S4 -","- C36 H20 F16 I8 O4 Pt2 S8 -","2","0.5","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Rozhkov, Anton V.; Kukushkin, Vadim Yu; Bokach, Nadezhda A.","Engineering metal site behavior: electrophilic-nucleophilic dualism in square-planar platinum(II) through geometry-controlled switching.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9076","9087","10.1039/d5dt00802f","","x-ray","1.54184","CuKα","","0.0692","0.0588","","","0.1519","0.1626","","","","","","1.056","","","","has coordinates","300777","2025-07-06","15:34:32",""
"7718599","5.9888","0.0002","8.4835","0.0002","14.2189","0.0002","79.53","0.002","79.269","0.002","88.855","0.002","697.88","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H10 F8 I4 O2 Pt S4 -","- C18 H10 F8 I4 O2 Pt S4 -","- C18 H10 F8 I4 O2 Pt S4 -","1","0.5","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Rozhkov, Anton V.; Kukushkin, Vadim Yu; Bokach, Nadezhda A.","Engineering metal site behavior: electrophilic-nucleophilic dualism in square-planar platinum(II) through geometry-controlled switching.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9076","9087","10.1039/d5dt00802f","","x-ray","1.54184","CuKα","","0.0368","0.0359","","","0.0961","0.0974","","","","","","1.044","","","","has coordinates","300777","2025-07-06","15:34:32",""
"7718600","22.9538","0.0002","14.6829","0.0002","7.3495","0.0001","90","","90.385","0.001","90","","2476.93","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 F8 I2 O2 Pt S4 -","- C18 H10 F8 I2 O2 Pt S4 -","- C72 H40 F32 I8 O8 Pt4 S16 -","4","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Rozhkov, Anton V.; Kukushkin, Vadim Yu; Bokach, Nadezhda A.","Engineering metal site behavior: electrophilic-nucleophilic dualism in square-planar platinum(II) through geometry-controlled switching.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9076","9087","10.1039/d5dt00802f","","x-ray","0.71073","MoKα","","0.0284","0.0228","","","0.0443","0.046","","","","","","1.083","","","","has coordinates","300777","2025-07-06","15:34:32",""
"7718601","29.1655","0.0005","29.1655","0.0005","31.1656","0.0008","90","","90","","120","","22958.6","0.8","233","2","233.15","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","CuAntPTDO","","- C72 H86 Cu2 N12 O24 S2 -","- C42 H16 Cu2 N2 O14 S2 -","- C378 H144 Cu18 N18 O126 S18 -","9","0.25","","Sugamata, Koh; Furukawa, Riko; Amanokura, Natsuki; Minoura, Mao","Phenothiazine-dioxide-based Cu-MOFs: preserving porosity through the incorporation of substituents into organic linkers.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8813","8818","10.1039/d5dt00721f","","","0.4135","Synchrotron","","0.0509","0.0455","","","0.1421","0.1463","","","","","","1.148","","","","has coordinates,has disorder","300784","2025-07-06","15:38:26",""
"7718602","29.123","0.002","29.123","0.002","30.375","0.002","90","","90","","120","","22311","3","233","2","233.15","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C51 H55 N7 O21 S2 Zn2 -","- C36 H20 N2 O16 S2 Zn2 -","- C324 H180 N18 O144 S18 Zn18 -","9","0.25","","Sugamata, Koh; Furukawa, Riko; Amanokura, Natsuki; Minoura, Mao","Phenothiazine-dioxide-based Cu-MOFs: preserving porosity through the incorporation of substituents into organic linkers.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8813","8818","10.1039/d5dt00721f","","","0.71073","MoKα","","0.0926","0.0797","","","0.243","0.258","","","","","","1.054","","","","has coordinates","300784","2025-07-06","15:38:26",""
"7718603","29.2864","0.0012","29.2864","0.0012","30.3936","0.0016","90","","90","","120","","22575.9","1.8","233","2","233.15","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C57 H67 N7 O19 S2 Zn2 -","- C42 H32 N2 O14 S2 Zn2 -","- C378 H288 N18 O126 S18 Zn18 -","9","0.25","","Sugamata, Koh; Furukawa, Riko; Amanokura, Natsuki; Minoura, Mao","Phenothiazine-dioxide-based Cu-MOFs: preserving porosity through the incorporation of substituents into organic linkers.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8813","8818","10.1039/d5dt00721f","","","0.71073","MoKα","","0.0665","0.0643","","","0.1819","0.1855","","","","","","1.078","","","","has coordinates","300784","2025-07-06","15:38:26",""
"7718604","29.3386","0.0004","29.3386","0.0004","29.3136","0.001","90","","90","","120","","21851.4","0.9","233","2","233.15","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C49 H49 N7 O19 S2 Zn2 -","- C34 H16 N2 O14 S2 Zn2 -","- C306 H144 N18 O126 S18 Zn18 -","9","0.25","","Sugamata, Koh; Furukawa, Riko; Amanokura, Natsuki; Minoura, Mao","Phenothiazine-dioxide-based Cu-MOFs: preserving porosity through the incorporation of substituents into organic linkers.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8813","8818","10.1039/d5dt00721f","","","0.4139","Synchrotron","","0.0834","0.0786","","","0.2667","0.2741","","","","","","1.138","","","","has coordinates","300784","2025-07-06","15:38:26",""
"7718605","29.8395","0.001","29.8395","0.001","43.3839","0.0012","90","","90","","120","","33453.6","1.8","233","2","233.15","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C52 H60 Cu2 N8 O20 S2 -","- C34 H18 Cu2 N2 O14 S2 -","- C408 H216 Cu24 N24 O168 S24 -","12","0.5","","Sugamata, Koh; Furukawa, Riko; Amanokura, Natsuki; Minoura, Mao","Phenothiazine-dioxide-based Cu-MOFs: preserving porosity through the incorporation of substituents into organic linkers.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8813","8818","10.1039/d5dt00721f","","","0.4136","Synchrotron","","0.077","0.0599","","","0.1722","0.1842","","","","","","1.052","","","","has coordinates,has disorder","300784","2025-07-06","15:38:26",""
"7718606","28.968","0.0009","28.968","0.0009","31.2872","0.0011","90","","90","","120","","22737.1","1.3","233","2","233.15","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C49 H51 Cu2 N7 O19 S2 -","- C34 H16 Cu2 N2 O14 S2 -","- C306 H144 Cu18 N18 O126 S18 -","9","0.25","","Sugamata, Koh; Furukawa, Riko; Amanokura, Natsuki; Minoura, Mao","Phenothiazine-dioxide-based Cu-MOFs: preserving porosity through the incorporation of substituents into organic linkers.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8813","8818","10.1039/d5dt00721f","","","0.4139","Synchrotron","","0.1069","0.0829","","","0.2271","0.2554","","","","","","1.029","","","","has coordinates,has disorder","300784","2025-07-06","15:38:26",""
"7718607","29.3296","0.0019","29.3296","0.0019","30.881","0.002","90","","90","","120","","23006","3","233","2","233.15","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C66 H86 N12 O24 S2 Zn2 -","- C36 H16 N2 O14 S2 Zn2 -","- C324 H144 N18 O126 S18 Zn18 -","9","0.25","","Sugamata, Koh; Furukawa, Riko; Amanokura, Natsuki; Minoura, Mao","Phenothiazine-dioxide-based Cu-MOFs: preserving porosity through the incorporation of substituents into organic linkers.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8813","8818","10.1039/d5dt00721f","","x-ray","0.4134","Synchrotron","","0.0696","0.0582","","","0.155","0.1621","","","","","","0.991","","","","has coordinates,has disorder","300784","2025-07-06","15:38:26",""
"7718608","36.468","0.009","16.549","0.003","23.765","0.006","90","","132.62","0.04","90","","10554","8","233","2","233.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H41.5 Cu2 N4.5 O12.5 -","- C42 H24 Cu2 N2 O10 -","- C168 H96 Cu8 N8 O40 -","4","0.5","","Sugamata, Koh; Furukawa, Riko; Amanokura, Natsuki; Minoura, Mao","Phenothiazine-dioxide-based Cu-MOFs: preserving porosity through the incorporation of substituents into organic linkers.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8813","8818","10.1039/d5dt00721f","","","0.4135","synchrotron","","0.1629","0.1256","","","0.3146","0.3396","","","","","","1.016","","","","has coordinates","300784","2025-07-06","15:38:26",""
"7718609","29.279","0.002","29.279","0.002","30.17","0.003","90","","90","","120","","22398","3","233","2","233.15","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C80 H122 N16 O28 S2 Zn2 -","- C38 H24 N2 O14 S2 Zn2 -","- C342 H216 N18 O126 S18 Zn18 -","9","0.25","","Sugamata, Koh; Furukawa, Riko; Amanokura, Natsuki; Minoura, Mao","Phenothiazine-dioxide-based Cu-MOFs: preserving porosity through the incorporation of substituents into organic linkers.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8813","8818","10.1039/d5dt00721f","","","0.71073","MoKα","","0.0635","0.0554","","","0.1643","0.1712","","","","","","1.057","","","","has coordinates","300784","2025-07-06","15:38:26",""
"7718610","36.431","0.003","16.632","0.0007","23.621","0.002","90","","132.306","0.014","90","","10585","3","233","2","233.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H94 N12 O20 Zn2 -","- C42 H24 N2 O10 Zn2 -","- C168 H96 N8 O40 Zn8 -","4","0.5","","Sugamata, Koh; Furukawa, Riko; Amanokura, Natsuki; Minoura, Mao","Phenothiazine-dioxide-based Cu-MOFs: preserving porosity through the incorporation of substituents into organic linkers.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8813","8818","10.1039/d5dt00721f","","","0.71073","MoKα","","0.087","0.076","","","0.2248","0.2404","","","","","","1.03","","","","has coordinates","300784","2025-07-06","15:38:26",""
"7718611","29.2673","0.0006","29.2673","0.0006","31.136","0.0008","90","","90","","120","","23097.2","0.9","233","2","233.15","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C58 H70 N8 O20 S2 Zn2 -","- C40 H28 N2 O14 S2 Zn2 -","- C360 H252 N18 O126 S18 Zn18 -","9","0.25","","Sugamata, Koh; Furukawa, Riko; Amanokura, Natsuki; Minoura, Mao","Phenothiazine-dioxide-based Cu-MOFs: preserving porosity through the incorporation of substituents into organic linkers.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8813","8818","10.1039/d5dt00721f","","","0.414","","","0.0728","0.0681","","","0.2088","0.2153","","","","","","1.102","","","","has coordinates,has disorder","300784","2025-07-06","15:38:26",""
"7718612","29.3475","0.0006","29.3475","0.0006","30.1175","0.0009","90","","90","","120","","22464.2","0.9","233","2","233.15","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C66 H76 N10 O20 S2 Zn2 -","- C42 H20 N2 O14 S2 Zn2 -","- C378 H180 N18 O126 S18 Zn18 -","9","0.25","","Sugamata, Koh; Furukawa, Riko; Amanokura, Natsuki; Minoura, Mao","Phenothiazine-dioxide-based Cu-MOFs: preserving porosity through the incorporation of substituents into organic linkers.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8813","8818","10.1039/d5dt00721f","","","0.71073","MoKα","","0.0581","0.0538","","","0.1715","0.1751","","","","","","1.088","","","","has coordinates,has disorder","300784","2025-07-06","15:38:26",""
"7718613","11.7226","0.0004","15.0787","0.0005","16.9543","0.0006","104.433","0.003","93.699","0.003","100.407","0.003","2835.6","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","NS1-74B","","- C49 H49.5 Eu2 I4 N14.5 -","- C46 H45 Eu2 I4 N13 -","- C92 H90 Eu4 I8 N26 -","2","1","","Suryadevara, Nithin; Bagio, Stanley; Hay, Moya A.; Gable, Robert W.; Boskovic, Colette","Enhancing redox functionality in dinuclear europium complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9208","9218","10.1039/d5dt00302d","","x-ray","1.54184","CuKα","","0.0585","0.0512","","","0.1308","0.1365","","","","","","1.015","","","","has coordinates","300939","2025-07-06","16:49:25",""
"7718614","13.799","0.003","13.467","0.003","34.005","0.007","90","","98.47","0.03","90","","6250","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","SB1-69","","- C56 H39 Br12 Eu2 N9 O6 -","- C56 H39 Br12 Eu2 N9 O6 -","- C224 H156 Br48 Eu8 N36 O24 -","4","1","","Suryadevara, Nithin; Bagio, Stanley; Hay, Moya A.; Gable, Robert W.; Boskovic, Colette","Enhancing redox functionality in dinuclear europium complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9208","9218","10.1039/d5dt00302d","","","0.71076","Synchrotron","","0.0284","0.0281","","","0.077","0.0772","","","","","","1.109","","","","has coordinates","300939","2025-07-06","16:49:28",""
"7718615","20.234","0.004","15.617","0.003","34.729","0.007","90","","90","","90","","10974","4","150","0.2","150","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H45.43 Eu2 I5 N14 O0.72 -","- C48 H45.434 Eu2 I5 N14 O0.717 -","- C384 H363.472 Eu16 I40 N112 O5.736 -","8","1","","Suryadevara, Nithin; Bagio, Stanley; Hay, Moya A.; Gable, Robert W.; Boskovic, Colette","Enhancing redox functionality in dinuclear europium complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9208","9218","10.1039/d5dt00302d","","","0.71076","Synchrotron","","0.0446","0.0396","","","0.1152","0.1189","","","","","","1.052","","","","has coordinates,has disorder","300939","2025-07-06","16:49:36",""
"7718616","23.872","0.002","23.947","0.002","28.949","0.003","91.552","0.002","100.437","0.002","116.519","0.002","14453","2","180","","180","","","","","","","","","8","P -1","-P 1","2","","","","- C242 H318 F12 K6 N32 O71 P2 S4 -","- C216 H257 F12 K6 N29 O65 P2 S4 -","- C432 H514 F24 K12 N58 O130 P4 S8 -","2","1","","Lu, Mengxue; Sun, Xiao-Wen; Wang, Ji; Zhao, Wei; Ma, Hongwei; Yang, Xiao-Juan; Wu, Biao","Dithienylethene-based supramolecular chiroptical switch in phosphate-coordination-driven 2 : 2 duplexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8841","8845","10.1039/d5dt00421g","","","0.71073","MoKα","","0.1724","0.1054","","","0.2632","0.3155","","","","","","1.029","","","","has coordinates,has disorder","300782","2025-07-06","15:36:16",""
"7718617","19.6005","0.0006","31.8711","0.0007","33.0905","0.0011","90","","106.011","0.002","90","","19869.4","1","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C133 H231 Au32 Cl2 O3 P S20 -","- C133 H231 Au32 Cl2 O3 P S20 -","- C532 H924 Au128 Cl8 O12 P4 S80 -","4","1","","Ye, Jiansheng; Dai, Yali; Liu, Wenjun; Xu, Jingrou; Li, Jialing; Chen, Meng; Yang, Sha; Li, Qinzhen; Du, Yuanxin; Chai, Jinsong; Zhu, Manzhou","Phosphine-induced conversion from Au<sub>36</sub> to Au<sub>32</sub> for constructing a high-performance CO<sub>2</sub>RR catalyst.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9160","9168","10.1039/d5dt00604j","","","1.54186","CuKα","","0.0958","0.0616","","","0.1471","0.1558","","","","","","0.873","","","","has coordinates,has disorder","300938","2025-07-06","16:48:58",""
"7718618","41.9005","0.0014","10.9801","0.0003","13.2072","0.0004","90","","90.766","0.001","90","","6075.7","0.3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C9 H4 Cl0.5 Cs5.5 N9 O3 S3 W3 -","- C9 Cl0.5 Cs5.5 N9 O3 S3 W3 -","- C72 Cl4 Cs44 N72 O24 S24 W24 -","8","1","","Yarovoy, Spartak S.; Mirzaeva, Irina V.; Sukhikh, Taisiya S.; Mironov, Yuri V.; Yanshole, Vadim; Brylev, Konstantin A.","Tungsten oxide as a universal source for the synthesis of complexes with different nuclearities in WO<sub>3</sub>/chalcogen/NaCN systems.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8644","8657","10.1039/d5dt00361j","","","0.71073","MoKα","","0.0661","0.0446","","","0.0859","0.0907","","","","","","1.039","","","","has coordinates,has disorder","300960","2025-07-06","17:00:10",""
"7718619","15.3237","0.0015","14.6485","0.0013","16.7342","0.0014","90","","116.218","0.003","90","","3369.9","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H2 Cs2.5 N8 Na1.5 O W -","- C8 Cs2.5 N8 Na1.5 O W -","- C64 Cs20 N64 Na12 O8 W8 -","8","2","","Yarovoy, Spartak S.; Mirzaeva, Irina V.; Sukhikh, Taisiya S.; Mironov, Yuri V.; Yanshole, Vadim; Brylev, Konstantin A.","Tungsten oxide as a universal source for the synthesis of complexes with different nuclearities in WO<sub>3</sub>/chalcogen/NaCN systems.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8644","8657","10.1039/d5dt00361j","","","0.71073","MoKα","","0.0485","0.0368","","","0.0744","0.0787","","","","","","1.051","","","","has coordinates","300960","2025-07-06","17:00:10",""
"7718620","11.7075","0.0005","11.7075","0.0005","44.409","0.003","90","","90","","120","","5271.4","0.5","150","2","150","2","","","","","","","","8","R -3 m :H","-R 3 2""","166","","","","- C9 H13 Cs3.5 N9 Na1.5 O6.5 Se4 W3 -","- C9 Cs3.48 N9 Na1.5 O8.02 Se4 W3 -","- C54 Cs20.88 N54 Na9 O48.12 Se24 W18 -","6","0.166667","","Yarovoy, Spartak S.; Mirzaeva, Irina V.; Sukhikh, Taisiya S.; Mironov, Yuri V.; Yanshole, Vadim; Brylev, Konstantin A.","Tungsten oxide as a universal source for the synthesis of complexes with different nuclearities in WO<sub>3</sub>/chalcogen/NaCN systems.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8644","8657","10.1039/d5dt00361j","","","0.71073","MoKα","","0.0691","0.0558","","","0.1687","0.186","","","","","","1.131","","","","has coordinates,has disorder","300960","2025-07-06","17:00:10",""
"7718621","19.4777","0.0006","11.2976","0.0004","13.2992","0.0004","90","","108.985","0.001","90","","2767.31","0.16","150","2","150","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C9 H4.5 Cs2.75 N9 Na2.25 O2.25 S4 W3 -","- C9 Cs2.75 N9 Na2.25 O2.25 S4 W3 -","- C36 Cs11 N36 Na9 O9 S16 W12 -","4","0.5","","Yarovoy, Spartak S.; Mirzaeva, Irina V.; Sukhikh, Taisiya S.; Mironov, Yuri V.; Yanshole, Vadim; Brylev, Konstantin A.","Tungsten oxide as a universal source for the synthesis of complexes with different nuclearities in WO<sub>3</sub>/chalcogen/NaCN systems.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8644","8657","10.1039/d5dt00361j","","","0.71073","MoKα","","0.0399","0.0346","","","0.0858","0.089","","","","","","1.049","","","","has coordinates,has disorder","300960","2025-07-06","17:00:10",""
"7718622","8.6106","0.0005","22.0552","0.0011","10.2958","0.0005","90","","108.674","0.006","90","","1852.33","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F2 N2 O10 Sb2 -","- C14 H10 F2 N2 O10 Sb2 -","- C56 H40 F8 N8 O40 Sb8 -","4","1","","Shen, Yaoguo; Xiong, Jiajia; Yang, Yiman; Tang, Zhifeng","(C<sub>7</sub>H<sub>3</sub>NO<sub>4</sub>)<sub>2</sub>Sb<sub>2</sub>F<sub>2</sub>·2H<sub>2</sub>O: a pyridine-based compound shows large optical anisotropy.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8420","8424","10.1039/d5dt00698h","","x-ray","0.71073","MoKα","","0.0279","0.0237","","","0.0511","0.0533","","","","","","1.047","","","","has coordinates","300955","2025-07-06","16:58:05",""
"7718623","12.0085","0.0015","14.8236","0.0015","20.397","0.002","90","","99.966","0.004","90","","3576.1","0.7","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 B F15 O P -","- C36 H33 B F15 O P -","- C144 H132 B4 F60 O4 P4 -","4","1","","Thomson, Jordan; Courtemanche, Marc-André; Neu, Rebecca C.; Stephan, Douglas W.","FLP-CO<sub>2</sub> adducts: convenient sources of frustrated Lewis pairs for stoichiometric and catalytic chemistry.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8410","8414","10.1039/d5dt00942a","","","0.71073","MoKα","","0.0915","0.0694","","","0.1986","0.2194","","","","","","1.0541","","","","has coordinates","300956","2025-07-06","16:58:28",""
"7718624","11.0282","0.0003","11.3656","0.0003","13.553","0.0003","82.448","0.002","76.204","0.002","75.467","0.002","1592.33","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H64 F12 N8 O7 P2 Ru2 -","- C62 H64 F12 N8 O7 P2 Ru2 -","- C62 H64 F12 N8 O7 P2 Ru2 -","1","0.5","","Mudrak, Vladyslav; Lacroix, Pascal G.; Labra-Vázquez, Pablo; Tassé, Marine; Mallet-Ladeira, Sonia; Malfant, Isabelle","Photo-release of acetonitrile in ruthenium(II) complexes with various substituted terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9021","9031","10.1039/d5dt00734h","","x-ray","1.54184","CuKα","","0.052","0.0473","","","0.1253","0.1281","","","","","","1.085","","","","has coordinates,has disorder","300775","2025-07-06","15:33:40",""
"7718625","13.4401","0.0001","23.9107","0.0002","9.6011","0.0001","90","","97.306","0.001","90","","3060.38","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 F12 N8 O5 P2 Ru2 -","- C60 H60 F12 N8 O5 P2 Ru2 -","- C120 H120 F24 N16 O10 P4 Ru4 -","2","0.5","","Mudrak, Vladyslav; Lacroix, Pascal G.; Labra-Vázquez, Pablo; Tassé, Marine; Mallet-Ladeira, Sonia; Malfant, Isabelle","Photo-release of acetonitrile in ruthenium(II) complexes with various substituted terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9021","9031","10.1039/d5dt00734h","","x-ray","1.54184","CuKα","","0.0413","0.0406","","","0.1113","0.112","","","","","","1.051","","","","has coordinates,has disorder","300775","2025-07-06","15:33:41",""
"7718626","8.3239","0.0001","14.8029","0.0002","15.453","0.0002","77.621","0.001","82.472","0.001","82.598","0.001","1833.78","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H41 F6 N6 O3 P Ru -","- C35 H41 F6 N6 O3 P Ru -","- C70 H82 F12 N12 O6 P2 Ru2 -","2","1","","Mudrak, Vladyslav; Lacroix, Pascal G.; Labra-Vázquez, Pablo; Tassé, Marine; Mallet-Ladeira, Sonia; Malfant, Isabelle","Photo-release of acetonitrile in ruthenium(II) complexes with various substituted terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9021","9031","10.1039/d5dt00734h","","x-ray","1.54184","CuKα","","0.0415","0.0402","","","0.1072","0.1082","","","","","","1.052","","","","has coordinates","300775","2025-07-06","15:33:41",""
"7718627","8.4156","0.0001","19.4068","0.0002","21.291","0.0002","90","","92.729","0.001","90","","3473.3","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 F6 N6 O5 P Ru -","- C31 H31 F6 N6 O5 P Ru -","- C124 H124 F24 N24 O20 P4 Ru4 -","4","1","","Mudrak, Vladyslav; Lacroix, Pascal G.; Labra-Vázquez, Pablo; Tassé, Marine; Mallet-Ladeira, Sonia; Malfant, Isabelle","Photo-release of acetonitrile in ruthenium(II) complexes with various substituted terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9021","9031","10.1039/d5dt00734h","","x-ray","1.54184","CuKα","","0.0547","0.0524","","","0.1414","0.1432","","","","","","1.035","","","","has coordinates","300775","2025-07-06","15:33:41",""
"7718628","9.6531","0.0015","9.7961","0.0015","10.6609","0.0013","116.394","0.014","108.038","0.012","97.046","0.013","817.6","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H32 Fe2 Li2 N6 O8 -","- C22 H32 Fe2 Li2 N6 O8 -","- C22 H32 Fe2 Li2 N6 O8 -","1","0.5","","Kirk, Ryan M.; Hill, Anthony F.","Pnictogen-functionalised isocyanide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8881","8887","10.1039/d5dt00992h","","x-ray","0.71073","MoKα","","0.0973","0.0644","","","0.1674","0.1797","","","","","","0.944","","","","has coordinates","300768","2025-07-06","15:31:38",""
"7718629","10.3325","0.0001","13.4583","0.0002","9.6653","0.0001","90","","100.713","0.001","90","","1320.61","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H5 N O5 W -","- C12 H5 N O5 W -","- C48 H20 N4 O20 W4 -","4","1","","Kirk, Ryan M.; Hill, Anthony F.","Pnictogen-functionalised isocyanide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8881","8887","10.1039/d5dt00992h","","x-ray","1.54184","CuKα","","0.0339","0.0319","","","0.0873","0.0891","","","","","","1.071","","","","has coordinates","300768","2025-07-06","15:31:38",""
"7718630","22.538","0.0002","14.1385","0.00014","6.04179","0.00005","90","","90","","90","","1925.24","0.03","150","0.1","150","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H18 N O5 Sb W -","- C14 H18 N O5 Sb W -","- C56 H72 N4 O20 Sb4 W4 -","4","0.5","","Kirk, Ryan M.; Hill, Anthony F.","Pnictogen-functionalised isocyanide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8881","8887","10.1039/d5dt00992h","","x-ray","1.54184","CuKα","","0.0366","0.0362","","","0.0996","0.1003","","","","","","1.07","","","","has coordinates","300768","2025-07-06","15:31:38",""
"7718631","21.7679","0.0003","13.5735","0.0002","5.9248","0.0001","90","","90","","90","","1750.58","0.05","150","0.1","150","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H18 Cr N O5 P -","- C14 H18 Cr N O5 P -","- C56 H72 Cr4 N4 O20 P4 -","4","0.5","","Kirk, Ryan M.; Hill, Anthony F.","Pnictogen-functionalised isocyanide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8881","8887","10.1039/d5dt00992h","","x-ray","1.54184","CuKα","","0.0388","0.0379","","","0.1089","0.11","","","","","","1.101","","","","has coordinates","300768","2025-07-06","15:31:38",""
"7718632","22.1456","0.0002","13.6345","0.0002","5.9373","0.0001","90","","90","","90","","1792.73","0.04","150","0.1","150","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H18 Mo N O5 P -","- C14 H18 Mo N O5 P -","- C56 H72 Mo4 N4 O20 P4 -","4","0.5","","Kirk, Ryan M.; Hill, Anthony F.","Pnictogen-functionalised isocyanide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8881","8887","10.1039/d5dt00992h","","x-ray","1.54184","CuKα","","0.0331","0.0328","","","0.0901","0.0904","","","","","","1.111","","","","has coordinates","300768","2025-07-06","15:31:38",""
"7718633","22.2713","0.0002","13.8074","0.0001","5.947","0.0001","90","","90","","90","","1828.75","0.04","150","0.1","150","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H18 As N O5 W -","- C14 H18 As N O5 W -","- C56 H72 As4 N4 O20 W4 -","4","0.5","","Kirk, Ryan M.; Hill, Anthony F.","Pnictogen-functionalised isocyanide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8881","8887","10.1039/d5dt00992h","","x-ray","1.54184","CuKα","","0.0357","0.0351","","","0.094","0.0944","","","","","","1.124","","","","has coordinates","300768","2025-07-06","15:31:38",""
"7718634","6.5007","0.0004","10.3978","0.0006","12.9967","0.0006","91.653","0.004","94.08","0.004","93.172","0.005","874.44","0.08","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 N O2 P Re -","- C16 H23 N O2 P Re -","- C32 H46 N2 O4 P2 Re2 -","2","1","","Kirk, Ryan M.; Hill, Anthony F.","Pnictogen-functionalised isocyanide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8881","8887","10.1039/d5dt00992h","","x-ray","0.71073","MoKα","","0.0486","0.0404","","","0.0751","0.0824","","","","","","1.04","","","","has coordinates","300768","2025-07-06","15:31:38",""
"7718635","8.7112","0.0001","10.7852","0.0002","11.3689","0.0002","112.518","0.001","111.564","0.002","93.984","0.001","889.73","0.03","149","4","149","4","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Li2 N6 O10 W2 -","- C24 H32 Li2 N6 O10 W2 -","- C24 H32 Li2 N6 O10 W2 -","1","0.5","","Kirk, Ryan M.; Hill, Anthony F.","Pnictogen-functionalised isocyanide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8881","8887","10.1039/d5dt00992h","","x-ray","1.54184","CuKα","","0.0367","0.0362","","","0.094","0.0945","","","","","","1.055","","","","has coordinates,has disorder","300768","2025-07-06","15:31:38",""
"7718636","9.2121","0.0001","15.2478","0.0001","11.8192","0.0001","90","","103.52","0.001","90","","1614.17","0.03","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O5 W -","- C15 H11 N O5 W -","- C60 H44 N4 O20 W4 -","4","1","","Kirk, Ryan M.; Hill, Anthony F.","Pnictogen-functionalised isocyanide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8881","8887","10.1039/d5dt00992h","","x-ray","1.54184","CuKα","","0.0215","0.0208","","","0.0547","0.0553","","","","","","1.089","","","","has coordinates","300768","2025-07-06","15:31:38",""
"7718637","20.8819","0.0005","10.0111","0.0003","16.0053","0.0004","90","","90","","90","","3345.92","0.15","150","0.1","150","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C13 H18 Fe N O4 P -","- C13 H18 Fe N O4 P -","- C104 H144 Fe8 N8 O32 P8 -","8","1","","Kirk, Ryan M.; Hill, Anthony F.","Pnictogen-functionalised isocyanide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8881","8887","10.1039/d5dt00992h","","x-ray","1.54184","CuKα","","0.0576","0.0461","","","0.1278","0.136","","","","","","1.062","","","","has coordinates","300768","2025-07-06","15:31:38",""
"7718638","22.1015","0.0003","13.5912","0.0002","5.9267","0.0001","90","","90","","90","","1780.3","0.05","150.01","0.1","150.01","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H18 N O5 P W -","- C14 H18 N O5 P W -","- C56 H72 N4 O20 P4 W4 -","4","0.5","","Kirk, Ryan M.; Hill, Anthony F.","Pnictogen-functionalised isocyanide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8881","8887","10.1039/d5dt00992h","","x-ray","1.54184","CuKα","","0.0359","0.0338","","","0.0878","0.0902","","","","","","1.052","","","","has coordinates","300768","2025-07-06","15:31:38",""
"7718639","10.3531","0.0006","6.3326","0.0003","26.3915","0.0013","90","","91.39","0.005","90","","1729.77","0.16","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Mn N O2 P -","- C16 H23 Mn N O2 P -","- C64 H92 Mn4 N4 O8 P4 -","4","1","","Kirk, Ryan M.; Hill, Anthony F.","Pnictogen-functionalised isocyanide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8881","8887","10.1039/d5dt00992h","","x-ray","0.71073","MoKα","","0.0676","0.0444","","","0.0881","0.1017","","","","","","1.02","","","","has coordinates","300768","2025-07-06","15:31:38",""
"7718640","17.9002","0.0017","10.5291","0.0009","18.4283","0.0019","90","","110.203","0.012","90","","3259.5","0.6","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Fe N O3 P2 -","- C33 H40 Fe N O3 P2 -","- C132 H160 Fe4 N4 O12 P8 -","4","1","","Kirk, Ryan M.; Hill, Anthony F.","Pnictogen-functionalised isocyanide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8881","8887","10.1039/d5dt00992h","","x-ray","0.71073","MoKα","","0.0806","0.0498","","","0.1114","0.1348","","","","","","1.046","","","","has coordinates","300768","2025-07-06","15:31:38",""
"7718641","27.7012","0.0016","9.9014","0.0006","17.2407","0.0011","90","","102.809","0.002","90","","4611.1","0.5","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H68 Cl2 O Th2 -","- C47 H68 Cl2 O Th2 -","- C188 H272 Cl8 O4 Th8 -","4","1","","Mahawar, Pritam; Kelley, Steven P.; Walensky, Justin R.","Reactivity of a dithorium oxo complex from adventitious water.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8706","8711","10.1039/d5dt00855g","","","0.71073","MoKα","","0.0496","0.0467","","","0.1263","0.1276","","","","","","1.199","","","","has coordinates,has disorder","300962","2025-07-06","17:01:09",""
"7718642","13.1491","0.0006","14.3177","0.0006","17.8937","0.0008","86.192","0.002","72.698","0.002","84.387","0.002","3198.4","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H102 N4 O3 Th2 -","- C68 H92 N4 O2 Th2 -","- C136 H184 N8 O4 Th4 -","2","1","","Mahawar, Pritam; Kelley, Steven P.; Walensky, Justin R.","Reactivity of a dithorium oxo complex from adventitious water.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8706","8711","10.1039/d5dt00855g","","","0.71073","MoKα","","0.0704","0.039","","","0.0676","0.0837","","","","","","1.066","","","","has coordinates","300962","2025-07-06","17:01:10",""
"7718643","17.3932","0.0008","16.6436","0.0008","28.6688","0.0013","90","","100.864","0.0016","90","","8150.4","0.7","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H66 O Th2 -","- C42 H66 O Th2 -","- C336 H528 O8 Th16 -","8","2","","Mahawar, Pritam; Kelley, Steven P.; Walensky, Justin R.","Reactivity of a dithorium oxo complex from adventitious water.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8706","8711","10.1039/d5dt00855g","","","0.71073","MoKα","","0.0527","0.0408","","","0.0816","0.0849","","","","","","1.255","","","","has coordinates,has disorder","300962","2025-07-06","17:01:10",""
"7718644","8.9254","0.0007","9.0714","0.0007","21.9695","0.0019","81.018","0.002","80.621","0.002","62.956","0.002","1556.3","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 N2 Ni S4 -","- C30 H40 N2 Ni S4 -","- C60 H80 N4 Ni2 S8 -","2","1","","Singh, Anupam; Patel, Riya; Daripa, Samrat; Bharty, M. K.; Butcher, R. J.; Hira, Sumit Kumar; Prasad, Lal Bahadur","Structural insights and <i>in vitro</i> and <i>in vivo</i> anticancer evaluation of dithiocarbamate-based metal complexes against murine lymphoma.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9187","9200","10.1039/d5dt00666j","","","0.71073","MoKα","","0.0519","0.0375","","","0.084","0.0936","","","","","","1.031","","","","has coordinates","300949","2025-07-06","16:54:43",""
"7718645","7.5368","0.0002","9.2277","0.0003","11.3083","0.0004","82.161","0.003","71.941","0.003","81.593","0.002","736.21","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 Cu N2 S4 -","- C30 H40 Cu N2 S4 -","- C30 H40 Cu N2 S4 -","1","0.5","","Singh, Anupam; Patel, Riya; Daripa, Samrat; Bharty, M. K.; Butcher, R. J.; Hira, Sumit Kumar; Prasad, Lal Bahadur","Structural insights and <i>in vitro</i> and <i>in vivo</i> anticancer evaluation of dithiocarbamate-based metal complexes against murine lymphoma.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9187","9200","10.1039/d5dt00666j","","","0.71073","MoKα","","0.0564","0.0417","","","0.0834","0.0959","","","","","","1.052","","","","has coordinates","300949","2025-07-06","16:54:54",""
"7718646","9.5926","0.0002","9.6136","0.0001","9.9021","0.0002","68.229","0.002","79.67","0.001","62.707","0.002","753.58","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Cl2 Cu N2 S4 -","- C28 H34 Cl2 Cu N2 S4 -","- C28 H34 Cl2 Cu N2 S4 -","1","0.5","","Singh, Anupam; Patel, Riya; Daripa, Samrat; Bharty, M. K.; Butcher, R. J.; Hira, Sumit Kumar; Prasad, Lal Bahadur","Structural insights and <i>in vitro</i> and <i>in vivo</i> anticancer evaluation of dithiocarbamate-based metal complexes against murine lymphoma.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9187","9200","10.1039/d5dt00666j","","","1.54184","CuKα","","0.0521","0.0461","","","0.1467","0.1535","","","","","","1.07","","","","has coordinates","300949","2025-07-06","16:54:55",""
"7718647","9.5327","0.0002","9.6729","0.0002","9.7102","0.0002","68.124","0.002","80.206","0.002","63.216","0.002","741.75","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Cl2 N2 Ni S4 -","- C28 H34 Cl2 N2 Ni S4 -","- C28 H34 Cl2 N2 Ni S4 -","1","0.5","","Singh, Anupam; Patel, Riya; Daripa, Samrat; Bharty, M. K.; Butcher, R. J.; Hira, Sumit Kumar; Prasad, Lal Bahadur","Structural insights and <i>in vitro</i> and <i>in vivo</i> anticancer evaluation of dithiocarbamate-based metal complexes against murine lymphoma.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9187","9200","10.1039/d5dt00666j","","","0.71073","MoKα","","0.0635","0.0414","","","0.0867","0.1014","","","","","","1.058","","","","has coordinates","300949","2025-07-06","16:54:55",""
"7718648","23.2623","0.0004","10.7519","0.0002","12.3535","0.0002","90","","91.346","0.002","90","","3088.93","0.09","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7.5 H10 N0.5 S Zn0.25 -","- C7.5 H10 N0.5 S Zn0.25 -","- C120 H160 N8 S16 Zn4 -","16","4","","Singh, Anupam; Patel, Riya; Daripa, Samrat; Bharty, M. K.; Butcher, R. J.; Hira, Sumit Kumar; Prasad, Lal Bahadur","Structural insights and <i>in vitro</i> and <i>in vivo</i> anticancer evaluation of dithiocarbamate-based metal complexes against murine lymphoma.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9187","9200","10.1039/d5dt00666j","","x-ray","0.71073","MoKα","","0.154","0.1243","","","0.3959","0.4307","","","","","","1.877","","","","has coordinates","300949","2025-07-06","16:54:55",""
"7718649","10.8521","0.0001","16.8237","0.0003","19.7943","0.0002","76.352","0.001","89.933","0.001","87.059","0.002","3507","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Cu N2 O2 S4 -","- C30 H40 Cu N2 O2 S4 -","- C120 H160 Cu4 N8 O8 S16 -","4","2","","Singh, Anupam; Patel, Riya; Daripa, Samrat; Bharty, M. K.; Butcher, R. J.; Hira, Sumit Kumar; Prasad, Lal Bahadur","Structural insights and <i>in vitro</i> and <i>in vivo</i> anticancer evaluation of dithiocarbamate-based metal complexes against murine lymphoma.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9187","9200","10.1039/d5dt00666j","","","1.54184","CuKα","","0.2059","0.1983","","","0.5938","0.6026","","","","","","3.143","","","","has coordinates","300949","2025-07-06","16:54:55",""
"7718650","30.9179","0.0001","9.938","","22.655","0.0001","90","","108.369","0.001","90","","6606.34","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 N2 O2 S4 Zn -","- C30 H40 N2 O2 S4 Zn -","- C240 H320 N16 O16 S32 Zn8 -","8","2","","Singh, Anupam; Patel, Riya; Daripa, Samrat; Bharty, M. K.; Butcher, R. J.; Hira, Sumit Kumar; Prasad, Lal Bahadur","Structural insights and <i>in vitro</i> and <i>in vivo</i> anticancer evaluation of dithiocarbamate-based metal complexes against murine lymphoma.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9187","9200","10.1039/d5dt00666j","","","1.54184","CuKα","","0.0305","0.0278","","","0.0728","0.075","","","","","","1.041","","","","has coordinates,has disorder","300949","2025-07-06","16:54:55",""
"7718651","12.632","0.0009","10.6526","0.0008","17.3754","0.0013","90","","90.28","0.004","90","","2338.1","0.3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl F3 N5 O5 Pd S -","- C20 H17 Cl F3 N5 O5 Pd S -","- C80 H68 Cl4 F12 N20 O20 Pd4 S4 -","4","1","","Sarwar, Hafiz Muhammad Rizwan; Jamshaid, Muhammad; Masood, Sara; Chaudhry, Gul-E-Saba; Fatima, Sameen; Zahra, Itrat; Akhtar, Arusa; Tahir, Muhammad Nawaz; Mughal, Ehsan Ullah; Zafar, M. Naveed","Water soluble palladium complexes bearing NNN-pincer ligands: synthesis, DFT modeling, cT-DNA interactions and <i>in vitro</i> cytotoxicity studies against breast cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9236","9249","10.1039/d5dt00224a","","","0.71073","MoKα","","0.0615","0.0414","","","0.0992","0.1097","","","","","","1.068","","","","has coordinates","300935","2025-07-06","16:47:54",""
"7718652","12.5967","0.0001","16.0732","0.0001","17.2203","0.0002","90","","109.586","0.001","90","","3284.85","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H104 Ca2 N4 Zn2 -","- C66 H104 Ca2 N4 Zn2 -","- C132 H208 Ca4 N8 Zn4 -","2","0.5","","Pearce, Kyle G.; Mahon, Mary F.; Hill, Michael S.","Alkylzinc-mediated transmetallation of a calcium hydride.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8903","8907","10.1039/d5dt00958h","","x-ray","1.54184","CuKα","","0.0276","0.0259","","","0.0696","0.071","","","","","","1.042","","","","has coordinates","300781","2025-07-06","15:35:49",""
"7718653","14.7549","0.0001","21.8797","0.0002","23.3417","0.0002","90","","96.525","0.001","90","","7486.65","0.11","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H114 Ca2 N4 -","- C80 H114 Ca2 N4 -","- C320 H456 Ca8 N16 -","4","1","","Pearce, Kyle G.; Mahon, Mary F.; Hill, Michael S.","Alkylzinc-mediated transmetallation of a calcium hydride.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8903","8907","10.1039/d5dt00958h","","x-ray","1.54184","CuKα","","0.0521","0.0478","","","0.1304","0.1355","","","","","","1.045","","","","has coordinates,has disorder","300781","2025-07-06","15:35:49",""
"7718654","11.3098","0.0003","12.397","0.0002","14.7801","0.0004","79.833","0.002","83.38","0.002","79.4","0.002","1997.58","0.08","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C84 H128 Ca2 N4 Zn2 -","- C84 H128 Ca2 N4 Zn2 -","- C84 H128 Ca2 N4 Zn2 -","1","0.5","","Pearce, Kyle G.; Mahon, Mary F.; Hill, Michael S.","Alkylzinc-mediated transmetallation of a calcium hydride.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8903","8907","10.1039/d5dt00958h","","x-ray","1.54184","CuKα","","0.0476","0.0405","","","0.108","0.1118","","","","","","1.087","","","","has coordinates","300781","2025-07-06","15:35:49",""
"7718655","10.4627","0.0002","10.4073","0.0002","17.9164","0.0003","90","","102.475","0.001","90","","1904.83","0.06","170","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 B10 -","- C16 H28 B10 -","- C64 H112 B40 -","4","1","","Jiang, Xianren; Ding, Chang-Hua; Qiu, Zaozao; Xie, Zuowei","Catalytic regioselective 3,4-difunctionalization of 3-iodo-<i>o</i>-carborane <i>via</i> Pd migration.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8764","8768","10.1039/d5dt00981b","","","1.34139","GaKα","","0.0518","0.0456","","","0.1188","0.1236","","","","","","1.04","","","","has coordinates","300780","2025-07-06","15:35:25",""
"7718656","13.898","0.003","10.749","0.002","12.186","0.002","90","","110.728","0.006","90","","1702.6","0.6","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H26 B10 S -","- C11 H26 B10 S -","- C44 H104 B40 S4 -","4","1","","Jiang, Xianren; Ding, Chang-Hua; Qiu, Zaozao; Xie, Zuowei","Catalytic regioselective 3,4-difunctionalization of 3-iodo-<i>o</i>-carborane <i>via</i> Pd migration.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8764","8768","10.1039/d5dt00981b","","","0.71073","MoKα","","0.0672","0.0468","","","0.1203","0.1328","","","","","","1.041","","","","has coordinates","300780","2025-07-06","15:35:25",""
"7718657","6.7189","0.0001","18.2589","0.0003","8.2179","0.0001","90","","95.112","0.001","90","","1004.16","0.03","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H29 B10 N -","- C16 H29 B10 N -","- C32 H58 B20 N2 -","2","1","","Jiang, Xianren; Ding, Chang-Hua; Qiu, Zaozao; Xie, Zuowei","Catalytic regioselective 3,4-difunctionalization of 3-iodo-<i>o</i>-carborane <i>via</i> Pd migration.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8764","8768","10.1039/d5dt00981b","","","1.34139","GaKα","","0.0428","0.0374","","","0.0961","0.0994","","","","","","1.044","","","","has coordinates","300780","2025-07-06","15:35:25",""
"7718658","13.3216","0.0005","20.9058","0.0007","28.0045","0.0009","79.9","0.003","80.703","0.003","78.93","0.003","7469.2","0.5","100","0.1","100","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C157 H158 Cl2 Co Fe N5 O31.92 P7 Ru S4 -","- C157 H158 Cl2 Co Fe N5 O31.918 P7 Ru S4 -","- C314 H316 Cl4 Co2 Fe2 N10 O63.836 P14 Ru2 S8 -","2","1","","Ng, Rain; Cheung, Wai-Man; Leung, Cheuk-Pui; Au, Chun Kit; So, Yat-Ming; Sung, Herman H.-Y.; Chan, Wan; Williams, Ian D.; Leung, Wa-Hung","A water-soluble heterometallic iron(IV)-ruthenium(IV) μ-nitrido porphyrin complex: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9359","9367","10.1039/d5dt00712g","","x-ray","1.54184","CuKα","","0.1132","0.0652","","","0.1514","0.1797","","","","","","1.016","","","","has coordinates,has disorder","300934","2025-07-06","16:47:44",""
"7718659","27.4052","0.0003","27.2127","0.0004","27.7815","0.0004","90","","92.093","0.001","90","","20704.8","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C202 H208 Cl5 Cu18 P4 S16 -","- C202 H208 Cl5 Cu18 P4 S16 -","- C808 H832 Cl20 Cu72 P16 S64 -","4","0.5","","Gong, Xuekun; Zheng, Chan; Zuo, Dongjie; Li, Simin; Fang, Wei-Hui; Shen, Hui","A chloride-doped Cu<sub>18</sub> nanocluster: synthesis, bonding and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9368","9375","10.1039/d5dt00851d","","x-ray","1.54184","CuKα","","0.1468","0.1101","","","0.3417","0.3924","","","","","","1.3","","","","has coordinates,has disorder","300946","2025-07-06","16:53:03",""
"7718660","23.503","0.0004","19.9604","0.0003","12.5665","0.0002","90","","99.004","0.002","90","","5822.67","0.16","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Ti3Co cluster","","- C42 H62 Co N3 O16 P3 Ti3 -","- C43 H62 Co N2 O16 P3 Ti3 -","- C172 H248 Co4 N8 O64 P12 Ti12 -","4","1","","Gao, Mengke; Zhang, Shiming; Yan, Yayu; Qian, Zehao; Qin, Liyang; Liu, Xiaoyu; Ding, Qing-Rong; Li, Qiaohong; Wu, Xin; Zhang, Jian","Precisely tailoring Lewis pairs in polyoxotitanium clusters for efficient photocatalytic production of hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9016","9020","10.1039/d5dt00085h","","x-ray","1.54184","CuKα","","0.0659","0.0564","","","0.1662","0.1797","","","","","","1.081","","","","has coordinates,has disorder","300787","2025-07-06","15:39:22",""
"7718661","23.4156","0.0006","20.0918","0.0004","12.5358","0.0003","90","","99.326","0.002","90","","5819.7","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Ti3Mn cluster","","- C43 H62 Mn N2 O16 P3 Ti3 -","- C43 H59.801 Mn N2 O16 P3 Ti3 -","- C172 H239.204 Mn4 N8 O64 P12 Ti12 -","4","1","","Gao, Mengke; Zhang, Shiming; Yan, Yayu; Qian, Zehao; Qin, Liyang; Liu, Xiaoyu; Ding, Qing-Rong; Li, Qiaohong; Wu, Xin; Zhang, Jian","Precisely tailoring Lewis pairs in polyoxotitanium clusters for efficient photocatalytic production of hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9016","9020","10.1039/d5dt00085h","","x-ray","1.54184","CuKα","","0.086","0.0717","","","0.203","0.215","","","","","","1.045","","","","has coordinates,has disorder","300787","2025-07-06","15:39:24",""
"7718662","15.2326","0.0011","21.4831","0.0018","25.4527","0.0018","90","","97.523","0.004","90","","8257.5","1.1","150","2","150","2","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C38.27 H58.86 Br Cd2 Mo10 N13.14 O61.73 P V2 -","- C38.28 H30.86 Br Cd2 Mo10 N13.14 O47.72 P V2 -","- C153.12 H123.44 Br4 Cd8 Mo40 N52.56 O190.88 P4 V8 -","4","0.5","","Jiang, Zhiqiang; Zhao, Qixin; Zeng, Yang; Gong, Tengfei; Huang, Zhenxuan; Chen, Zeyu; Shen, Jiefeng; Xuan, Weimin","Dual tuning of nodes and functional guests of polyoxometalate@metal-organic frameworks for enhanced photocatalytic oxidative coupling.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9338","9345","10.1039/d5dt00655d","","x-ray","0.68883","synchrotron","","0.0369","0.0362","","","0.0918","0.0922","","","","","","1.132","","","","has coordinates,has disorder","300951","2025-07-06","16:55:44",""
"7718663","15.2114","0.0015","21.527","0.002","25.359","0.003","90","","97.727","0.006","90","","8228.6","1.5","150","2","150","2","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C38.02 H76.99 Br Cd2 N13.01 O70.98 P V2 W10 -","- C37.96 H31.02 Br Cd2 N12.98 O48.04 P V2 W10 -","- C151.84 H124.08 Br4 Cd8 N51.92 O192.16 P4 V8 W40 -","4","0.5","","Jiang, Zhiqiang; Zhao, Qixin; Zeng, Yang; Gong, Tengfei; Huang, Zhenxuan; Chen, Zeyu; Shen, Jiefeng; Xuan, Weimin","Dual tuning of nodes and functional guests of polyoxometalate@metal-organic frameworks for enhanced photocatalytic oxidative coupling.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9338","9345","10.1039/d5dt00655d","","x-ray","0.68883","synchrotron","","0.056","0.0545","","","0.1476","0.1486","","","","","","1.062","","","","has coordinates,has disorder","300951","2025-07-06","16:55:44",""
"7718664","15.2182","0.0012","21.5762","0.0014","25.4191","0.0018","90","","97.534","0.004","90","","8274.3","1","150","2","150","2","","","","","","","","10","I 1 2/a 1","-I 2ya","15","","","","- C38.89 H60.95 Cd2 Cl0.28 I0.72 Mo10 N13.45 O62.31 P V2 -","- C38.892 H30.554 Cd2 Cl0.277 I0.723 Mo9.996 N13.446 O47.108 P V2.004 -","- C155.568 H122.216 Cd8 Cl1.108 I2.892 Mo39.984 N53.784 O188.432 P4 V8.016 -","4","0.5","","Jiang, Zhiqiang; Zhao, Qixin; Zeng, Yang; Gong, Tengfei; Huang, Zhenxuan; Chen, Zeyu; Shen, Jiefeng; Xuan, Weimin","Dual tuning of nodes and functional guests of polyoxometalate@metal-organic frameworks for enhanced photocatalytic oxidative coupling.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9338","9345","10.1039/d5dt00655d","","x-ray","0.71073","MoKα","","0.0388","0.0381","","","0.0912","0.0917","","","","","","1.116","","","","has coordinates,has disorder","300951","2025-07-06","16:55:44",""
"7718665","28.491","0.003","20.251","0.003","19.737","0.002","90","","112.506","0.005","90","","10520","2","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H41 F12 N9 P2 Ru -","- C38 H41 F12 N9 P2 Ru -","- C304 H328 F96 N72 P16 Ru8 -","8","1","","Kumar, Rakesh; Singh, Baghendra; Draksharapu, Apparao","Molecular Ru(II) complexes with universal pH hydrogen evolution performance.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9346","9351","10.1039/d5dt00880h","","","0.71073","MoKα","","0.0903","0.0641","","","0.1747","0.1969","","","","","","1.049","","","","has coordinates","300937","2025-07-06","16:48:40",""
"7718666","15.2846","0.0012","12.422","0.001","23.5315","0.0019","90","","106.336","0.002","90","","4287.4","0.6","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H43 F12 N11 P2 Ru -","- C36 H43 F12 N11 P2 Ru -","- C144 H172 F48 N44 P8 Ru4 -","4","1","","Kumar, Rakesh; Singh, Baghendra; Draksharapu, Apparao","Molecular Ru(II) complexes with universal pH hydrogen evolution performance.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9346","9351","10.1039/d5dt00880h","","","0.71073","MoKα","","0.0662","0.0451","","","0.0927","0.105","","","","","","1.056","","","","has coordinates,has disorder","300937","2025-07-06","16:48:40",""
"7718667","8.3577","0.0007","9.1809","0.0007","9.5836","0.0008","90","","110.233","0.002","90","","689.98","0.1","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H17 I2 N5 O2 Ru -","- C4 H17 I2 N5 O2 Ru -","- C8 H34 I4 N10 O4 Ru2 -","2","1","","Mikhailov, Artem A.; Tiognou, Appolinaire Tchoutchoua; Brovko, Anastasiya O.; Kostin, Gennadiy A.; Schaniel, Dominik","Exploring the photoswitching pathways and efficiency of NO isomerization in ethylenediamine ruthenium nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8918","8931","10.1039/d5dt00549c","","","0.71073","MoKα","","0.048","0.0355","","","0.0903","0.0945","","","","","","1.074","","","","has coordinates","300783","2025-07-06","15:36:52",""
"7718668","9.3314","0.0002","11.8505","0.0003","13.4342","0.0003","90","","90","","90","","1485.58","0.06","100","0.1","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H18 N8 O11 Ru -","- C4 H18 N8 O11 Ru -","- C16 H72 N32 O44 Ru4 -","4","1","","Mikhailov, Artem A.; Tiognou, Appolinaire Tchoutchoua; Brovko, Anastasiya O.; Kostin, Gennadiy A.; Schaniel, Dominik","Exploring the photoswitching pathways and efficiency of NO isomerization in ethylenediamine ruthenium nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8918","8931","10.1039/d5dt00549c","","","0.71073","MoKα","","0.0193","0.0183","","","0.0425","0.0433","","","","","","1.033","","","","has coordinates,has disorder","300783","2025-07-06","15:36:53",""
"7718669","8.4249","0.0003","17.5864","0.0005","9.3788","0.0002","90","","90.997","0.003","90","","1389.39","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H19 N7 O9 Ru -","- C4 H19 N7 O9 Ru -","- C16 H76 N28 O36 Ru4 -","4","1","","Mikhailov, Artem A.; Tiognou, Appolinaire Tchoutchoua; Brovko, Anastasiya O.; Kostin, Gennadiy A.; Schaniel, Dominik","Exploring the photoswitching pathways and efficiency of NO isomerization in ethylenediamine ruthenium nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8918","8931","10.1039/d5dt00549c","","x-ray","0.71073","MoKα","","0.0354","0.0271","","","0.059","0.0633","","","","","","1.081","","","","has coordinates","300783","2025-07-06","15:36:53",""
"7718670","8.7896","0.0002","9.1067","0.0002","16.5846","0.0004","90","","90","","90","","1327.5","0.05","100.15","","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H17 N7 O8 Ru -","- C4 H17 N7 O8 Ru -","- C16 H68 N28 O32 Ru4 -","4","1","","Mikhailov, Artem A.; Tiognou, Appolinaire Tchoutchoua; Brovko, Anastasiya O.; Kostin, Gennadiy A.; Schaniel, Dominik","Exploring the photoswitching pathways and efficiency of NO isomerization in ethylenediamine ruthenium nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8918","8931","10.1039/d5dt00549c","","","0.71073","MoKα","","0.0324","0.0286","","","0.0662","0.0689","","","","","","1.077","","","","has coordinates,has disorder","300783","2025-07-06","15:36:53",""
"7718671","9.2856","0.0005","16.8095","0.0006","8.822","0.0004","90","","90","","90","","1376.99","0.11","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H17 N7 O8 Ru -","- C4 H17 N7 O8 Ru -","- C16 H68 N28 O32 Ru4 -","4","0.5","","Mikhailov, Artem A.; Tiognou, Appolinaire Tchoutchoua; Brovko, Anastasiya O.; Kostin, Gennadiy A.; Schaniel, Dominik","Exploring the photoswitching pathways and efficiency of NO isomerization in ethylenediamine ruthenium nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8918","8931","10.1039/d5dt00549c","","","1.54184","CuKα","","0.0486","0.0377","","","0.0911","0.0997","","","","","","1.047","","","","has coordinates,has disorder","300783","2025-07-06","15:36:53",""
"7718672","7.9938","0.0005","10.5289","0.0005","21.7413","0.0012","90","","90.649","0.005","90","","1829.76","0.18","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H21 Cl5 N6 O5 Ru2 -","- C4 H21 Cl5 N6 O5 Ru2 -","- C16 H84 Cl20 N24 O20 Ru8 -","4","1","","Mikhailov, Artem A.; Tiognou, Appolinaire Tchoutchoua; Brovko, Anastasiya O.; Kostin, Gennadiy A.; Schaniel, Dominik","Exploring the photoswitching pathways and efficiency of NO isomerization in ethylenediamine ruthenium nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8918","8931","10.1039/d5dt00549c","","x-ray","0.71073","MoKα","","0.0453","0.0322","","","0.0518","0.0563","","","","","","0.992","","","","has coordinates","300783","2025-07-06","15:36:53",""
"7718673","8.8117","0.0004","9.1391","0.0004","16.4948","0.0009","90","","90","","90","","1328.34","0.11","100.15","","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H17 N7 O8 Ru -","- C4 H17 N7 O8 Ru -","- C16 H68 N28 O32 Ru4 -","4","1","","Mikhailov, Artem A.; Tiognou, Appolinaire Tchoutchoua; Brovko, Anastasiya O.; Kostin, Gennadiy A.; Schaniel, Dominik","Exploring the photoswitching pathways and efficiency of NO isomerization in ethylenediamine ruthenium nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8918","8931","10.1039/d5dt00549c","","","0.71073","MoKα","","0.0463","0.0369","","","0.0753","0.0823","","","","","","1.082","","","","has coordinates,has disorder","300783","2025-07-06","15:36:53",""
"7718674","8.7729","0.0002","9.1051","0.0002","16.5461","0.0003","90","","90","","90","","1321.67","0.05","100.15","","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H15 N7 O8 Ru -","- C4 H15 N7 O8 Ru -","- C16 H60 N28 O32 Ru4 -","4","1","","Mikhailov, Artem A.; Tiognou, Appolinaire Tchoutchoua; Brovko, Anastasiya O.; Kostin, Gennadiy A.; Schaniel, Dominik","Exploring the photoswitching pathways and efficiency of NO isomerization in ethylenediamine ruthenium nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8918","8931","10.1039/d5dt00549c","","","0.71073","MoKα","","0.0346","0.0309","","","0.0687","0.0711","","","","","","1.038","","","","has coordinates,has disorder","300783","2025-07-06","15:36:53",""
"7718675","8.8973","0.0002","12.852","0.0003","14.272","0.0003","88.821","0.002","72.312","0.002","71.523","0.002","1469.49","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C4 H18 Ag0.5 N7.5 O10 Ru -","- C4 H18 Ag0.5 N7.5 O10 Ru -","- C16 H72 Ag2 N30 O40 Ru4 -","4","2","","Mikhailov, Artem A.; Tiognou, Appolinaire Tchoutchoua; Brovko, Anastasiya O.; Kostin, Gennadiy A.; Schaniel, Dominik","Exploring the photoswitching pathways and efficiency of NO isomerization in ethylenediamine ruthenium nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8918","8931","10.1039/d5dt00549c","","x-ray","0.71073","MoKα","","0.0225","0.0199","","","0.0474","0.0488","","","","","","1.08","","","","has coordinates","300783","2025-07-06","15:36:53",""
"7718676","12.9262","0.0005","14.8199","0.0005","13.7408","0.0006","90","","102.174","0.0011","90","","2573.06","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Dy N4 O6 -","- C27 H25 Dy N4 O6 -","- C108 H100 Dy4 N16 O24 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.; Buzoverov, Mikhail E.; Babeshkin, Konstantin A.; Timokhina, Elena N.; Breslavskaya, Natalia N.; Vasilyev, Pavel N.; Efimov, Nikolay N.","Interactions between well-isolated Dy<sup>3+</sup> ions considerably contribute to the demagnetization of a mononuclear acetylacetonate-pyrazinate complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9615","9630","10.1039/d5dt00749f","","","0.71073","MoKα","","0.0325","0.0299","","","0.0715","0.0726","","","","","","1.173","","","","has coordinates","300749","2025-07-06","15:23:23",""
"7718677","12.923","0.0006","14.8501","0.0006","13.7212","0.0006","90","","102.189","0.001","90","","2573.84","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Ho N4 O6 -","- C27 H25 Ho N4 O6 -","- C108 H100 Ho4 N16 O24 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.; Buzoverov, Mikhail E.; Babeshkin, Konstantin A.; Timokhina, Elena N.; Breslavskaya, Natalia N.; Vasilyev, Pavel N.; Efimov, Nikolay N.","Interactions between well-isolated Dy<sup>3+</sup> ions considerably contribute to the demagnetization of a mononuclear acetylacetonate-pyrazinate complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9615","9630","10.1039/d5dt00749f","","","0.71073","MoKα","","0.0305","0.0233","","","0.0551","0.058","","","","","","1.012","","","","has coordinates","300749","2025-07-06","15:23:24",""
"7718678","12.9137","0.0003","14.9039","0.0004","13.653","0.0003","90","","102.432","0.001","90","","2566.1","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N4 O6 Yb -","- C27 H25 N4 O6 Yb -","- C108 H100 N16 O24 Yb4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.; Buzoverov, Mikhail E.; Babeshkin, Konstantin A.; Timokhina, Elena N.; Breslavskaya, Natalia N.; Vasilyev, Pavel N.; Efimov, Nikolay N.","Interactions between well-isolated Dy<sup>3+</sup> ions considerably contribute to the demagnetization of a mononuclear acetylacetonate-pyrazinate complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9615","9630","10.1039/d5dt00749f","","","0.71073","MoKα","","0.0253","0.0222","","","0.0509","0.0523","","","","","","0.996","","","","has coordinates","300749","2025-07-06","15:23:24",""
"7718679","12.9232","0.0005","14.8811","0.0006","13.7088","0.0005","90","","102.298","0.0012","90","","2575.86","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Er N4 O6 -","- C27 H25 Er N4 O6 -","- C108 H100 Er4 N16 O24 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.; Buzoverov, Mikhail E.; Babeshkin, Konstantin A.; Timokhina, Elena N.; Breslavskaya, Natalia N.; Vasilyev, Pavel N.; Efimov, Nikolay N.","Interactions between well-isolated Dy<sup>3+</sup> ions considerably contribute to the demagnetization of a mononuclear acetylacetonate-pyrazinate complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9615","9630","10.1039/d5dt00749f","","","0.71073","MoKα","","0.0402","0.0296","","","0.0571","0.0603","","","","","","1.038","","","","has coordinates","300749","2025-07-06","15:23:24",""
"7718680","12.8785","0.0006","14.8515","0.0006","13.6469","0.0006","90","","102.277","0.001","90","","2550.48","0.19","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N4 O6 Tm -","- C27 H25 N4 O6 Tm -","- C108 H100 N16 O24 Tm4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.; Buzoverov, Mikhail E.; Babeshkin, Konstantin A.; Timokhina, Elena N.; Breslavskaya, Natalia N.; Vasilyev, Pavel N.; Efimov, Nikolay N.","Interactions between well-isolated Dy<sup>3+</sup> ions considerably contribute to the demagnetization of a mononuclear acetylacetonate-pyrazinate complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9615","9630","10.1039/d5dt00749f","","","0.71073","MoKα","","0.0265","0.0199","","","0.0444","0.0465","","","","","","1.026","","","","has coordinates","300749","2025-07-06","15:23:24",""
"7718681","10.48765","0.00002","13.5301","0.0002","19.1302","0.0003","77.794","0.001","76.76","0.001","71.063","0.001","2471.52","0.06","300.15","","300.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H69 Eu O7 P -","- C46 H69 Eu O7 P -","- C92 H138 Eu2 O14 P2 -","2","1","","Santos, Paulo R. S.; Jesus, Ashely A. S. S.; Lima, William B.; Silva, Iran F.; Arruda, Joaldo G.; Faustino, Wagner M.; Felinto, Maria Claudia F. C.; Brito, Hermi F.; Costa, Israel F.; Diniz, Renata; Teotonio, Ercules E. S.","The role of an LMCT state on luminescence quenching in dimeric lanthanide dipivaloylmethanate compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9517","9529","10.1039/d5dt00203f","","x-ray","0.71073","MoKα","","0.0444","0.0345","","","0.0859","0.0904","","","","","","1.037","","","","has coordinates,has disorder","300752","2025-07-06","15:24:21",""
"7718682","13.2868","0.0001","14.0175","0.0001","15.1758","0.0002","84.711","0.001","86.078","0.001","62.223","0.001","2489.07","0.05","300.15","","300.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H69 Gd O7 P -","- C46 H69 Gd O7 P -","- C92 H138 Gd2 O14 P2 -","2","1","","Santos, Paulo R. S.; Jesus, Ashely A. S. S.; Lima, William B.; Silva, Iran F.; Arruda, Joaldo G.; Faustino, Wagner M.; Felinto, Maria Claudia F. C.; Brito, Hermi F.; Costa, Israel F.; Diniz, Renata; Teotonio, Ercules E. S.","The role of an LMCT state on luminescence quenching in dimeric lanthanide dipivaloylmethanate compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9517","9529","10.1039/d5dt00203f","","x-ray","1.54184","CuKα","","0.0452","0.0425","","","0.105","0.1069","","","","","","1.025","","","","has coordinates,has disorder","300752","2025-07-06","15:24:23",""
"7718683","13.2634","0.00014","13.99232","0.00012","15.18516","0.00012","84.9401","0.0007","86.2469","0.0008","62.2765","0.001","2483.96","0.05","300.15","","300.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H69 O7 P Tb -","- C46 H69 O7 P Tb -","- C92 H138 O14 P2 Tb2 -","2","1","","Santos, Paulo R. S.; Jesus, Ashely A. S. S.; Lima, William B.; Silva, Iran F.; Arruda, Joaldo G.; Faustino, Wagner M.; Felinto, Maria Claudia F. C.; Brito, Hermi F.; Costa, Israel F.; Diniz, Renata; Teotonio, Ercules E. S.","The role of an LMCT state on luminescence quenching in dimeric lanthanide dipivaloylmethanate compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9517","9529","10.1039/d5dt00203f","","x-ray","1.54184","CuKα","","0.0373","0.0348","","","0.0913","0.093","","","","","","1.033","","","","has coordinates,has disorder","300752","2025-07-06","15:24:23",""
"7718684","12.1158","0.0013","14.7808","0.0016","20.394","0.002","90","","105.66","0.003","90","","3516.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H17 F3 Ir N9 -","- C31 H17 F3 Ir N9 -","- C124 H68 F12 Ir4 N36 -","4","1","","Monti, Nicola; Previati, Eleonora; Vigarani, Giulia; Cocchi, Massimo; Tinti, Francesca; Raiteri, Paolo; Zacchini, Stefano; Giorgini, Loris; Massi, Massimiliano; Stagni, Stefano; Fiorini, Valentina","Fine color-tuning of Ir(III) tetrazolato complexes: synthesis, photophysical properties and OLED device fabrication.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10304","10317","10.1039/d4dt03525a","","","0.71073","MoKα","","0.1706","0.13","","","0.2689","0.2943","","","","","","1.245","","","","has coordinates","300789","2025-07-06","15:40:24",""
"7718685","10.544","0.0012","16.2534","0.0019","19.985","0.002","90.635","0.004","102.105","0.004","108.609","0.004","3162.4","0.6","105","2","105","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H82 N6 O6 -","- C74 H82 N6 O6 -","- C148 H164 N12 O12 -","2","1","","Strelnikova, Iuliia V.; Iova, Angelina A.; Ovsyannikov, Alexander S.; Islamov, Daut R.; Litvonov, Igor A.; Lazarenko, Vladimir A.; Kulikova, Elizaveta S.; Bogomyakov, Artem S.; Lin, Meijin; Kiiamov, Airat G.; Solovieva, Svetlana E.; Antipin, Igor S.","New mononuclear Dy(III) complex based on a calix[4]arene ligand with two appended salicylideneamine groups decorated with azophenyl fragments: synthesis, crystalline assembly and slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9584","9593","10.1039/d5dt00936g","","","0.71073","MoKα","","0.1039","0.0804","","","0.1918","0.2091","","","","","","1.013","","","","has coordinates,has disorder","300746","2025-07-06","15:21:55",""
"7718686","19.127","0.004","13.967","0.003","26.635","0.005","90","","96.86","0.03","90","","7065","3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H87 Dy N6 O9 -","- C75 H87 Dy N6 O9 -","- C300 H348 Dy4 N24 O36 -","4","1","","Strelnikova, Iuliia V.; Iova, Angelina A.; Ovsyannikov, Alexander S.; Islamov, Daut R.; Litvonov, Igor A.; Lazarenko, Vladimir A.; Kulikova, Elizaveta S.; Bogomyakov, Artem S.; Lin, Meijin; Kiiamov, Airat G.; Solovieva, Svetlana E.; Antipin, Igor S.","New mononuclear Dy(III) complex based on a calix[4]arene ligand with two appended salicylideneamine groups decorated with azophenyl fragments: synthesis, crystalline assembly and slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9584","9593","10.1039/d5dt00936g","","","0.7517","synchrotron","","0.1809","0.1127","","","0.2708","0.3244","","","","","","1.22","","","","has coordinates,has disorder","300746","2025-07-06","15:21:56",""
"7718687","13.7139","0.0005","13.8151","0.0005","23.473","0.0009","89.731","0.001","76.271","0.001","63.007","0.001","3822.1","0.2","150","2","149.99","","","","","","","","","9","P -1","-P 1","2","","","","- C20 H38 Cl2 N4 Na O50 P Ru2 W11 -","- C20 H16 Cl2 N4 O40 P Ru2 W11 -","- C40 H32 Cl4 N8 O80 P2 Ru4 W22 -","2","1","","Zhang, Shihao; Sun, Yahao; Chen, Wenjing; Li, Huafeng; Li, Kunhong; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Facile synthesis of a Ru-based polyoxometalate for efficient reduction of nitrobenzene.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9352","9358","10.1039/d5dt00020c","","","0.71073","MoKα","","0.0747","0.0436","","","0.083","0.0947","","","","","","1.012","","","","has coordinates,has disorder","300941","2025-07-06","16:50:08",""
"7718688","15.3889","0.0017","8.0081","0.0009","22.785","0.003","90","","96.665","0.003","90","","2789","0.6","120","2","120.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 B Cl4 Co N10 O3 -","- C21 H23 B Cl4 Co N10 O3 -","- C84 H92 B4 Cl16 Co4 N40 O12 -","4","1","","Belova, Svetlana A.; Belov, Alexander S.; Bugaenko, Margarita G.; Danshina, Anastasia A.; Dmitriev, Alexey I.; Zhidkov, Mikhail V.; Korchagin, Denis V.; Voloshin, Yan Z.","First pyridyl-terminated trigonal-prismatic cobalt(II) cage-like complex as prospective N-donor highly paramagnetic three-dimensional ligand and probe.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8783","8787","10.1039/d5dt00649j","","","0.71073","MoKα","","0.0736","0.0604","","","0.1653","0.1774","","","","","","1.06","","","","has coordinates","300771","2025-07-06","15:32:22",""
"7718689","25.0082","0.001","7.2516","0.0003","13.3724","0.0005","90","","107.782","0.002","90","","2309.22","0.16","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H32 I2 P4 -","- C17 H32 I2 P4 -","- C68 H128 I8 P16 -","4","1","","Wang, Xinchao; Liao, Qian","Synthesis of planar macrocyclic tetradentate phosphine-Mo complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8769","8772","10.1039/d5dt00984g","","","1.54178","CuKα","","0.0317","0.0315","","","0.0795","0.0796","","","","","","1.064","","","","has coordinates","300767","2025-07-06","15:29:56",""
"7718690","19.4121","0.0006","9.7496","0.0003","16.2388","0.0005","90","","107.873","0.001","90","","2925.04","0.16","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H43 F6 Mo O2 P5 -","- C23 H43 F6 Mo O2 P5 -","- C92 H172 F24 Mo4 O8 P20 -","4","0.5","","Wang, Xinchao; Liao, Qian","Synthesis of planar macrocyclic tetradentate phosphine-Mo complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8769","8772","10.1039/d5dt00984g","","","1.34139","GaKα","","0.0552","0.0442","","","0.1027","0.1046","","","","","","1.173","","","","has coordinates,has disorder","300767","2025-07-06","15:29:56",""
"7718691","11.2715","0.0006","9.0595","0.0004","25.2626","0.0014","90","","102.768","0.002","90","","2515.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H37 F6 Mo O2 P5 -","- C18 H37 F6 Mo O2 P5 -","- C72 H148 F24 Mo4 O8 P20 -","4","1","","Wang, Xinchao; Liao, Qian","Synthesis of planar macrocyclic tetradentate phosphine-Mo complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8769","8772","10.1039/d5dt00984g","","","0.71073","MoKα","","0.0564","0.0453","","","0.1005","0.1069","","","","","","1.078","","","","has coordinates","300767","2025-07-06","15:29:56",""
"7718692","19.4237","0.0007","9.6183","0.0004","16.5169","0.0006","90","","107.822","0.0011","90","","2937.66","0.19","170","2","170","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H43 F6 Mo O3 P5 -","- C23 H43 F6 Mo O3 P5 -","- C92 H172 F24 Mo4 O12 P20 -","4","1","","Wang, Xinchao; Liao, Qian","Synthesis of planar macrocyclic tetradentate phosphine-Mo complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8769","8772","10.1039/d5dt00984g","","","1.34139","GaKα","","0.0421","0.0419","","","0.1085","0.1087","","","","","","1.06","","","","has coordinates,has disorder","300767","2025-07-06","15:29:56",""
"7718693","15.512","0.0008","14.933","0.001","14.268","0.0009","90","","101.467","0.002","90","","3239.1","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H93 F12 Mo2 N O5 P10 -","- C55 H93 F12 Mo2 N O5 P10 -","- C110 H186 F24 Mo4 N2 O10 P20 -","2","0.5","","Wang, Xinchao; Liao, Qian","Synthesis of planar macrocyclic tetradentate phosphine-Mo complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8769","8772","10.1039/d5dt00984g","","","0.71073","MoKα","","0.0461","0.0371","","","0.0876","0.0954","","","","","","1.049","","","","has coordinates,has disorder","300767","2025-07-06","15:29:56",""
"7718694","13.5636","0.0008","19.4915","0.0011","48.477","0.003","85.183","0.002","85.802","0.002","69.864","0.002","11976.8","1.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C14 H9 Cl0.5 Na5 O177 Pr4 Sb4 W42 -","- C14 H9 Cl0.5 Na5 O177 Pr4 Sb4 W42 -","- C28 H18 Cl Na10 O354 Pr8 Sb8 W84 -","2","1","","Zheng, Zhijian; Jiang, Song; Chen, Xuejiao; Liu, Haoqi; Liu, Yufeng; Dong, Yayu; Sun, Xiaopeng; Yang, Guoping","A tetranuclear Pr-W heterometal cluster-imbedded antimotungstate for the catalytic synthesis of benzimidazoles.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9291","9295","10.1039/d5dt00386e","","","0.71073","MoKα","","0.1099","0.1018","","","0.2731","0.2823","","","","","","1.092","","","","has coordinates,has disorder","300954","2025-07-06","16:57:55",""
"7718695","6.7307","0.0003","9.6642","0.0005","11.5063","0.0006","98.275","0.001","92.139","0.001","90.622","0.001","740.04","0.06","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- Cd4 Na3 O18 P5 -","- Cd4 Na3 O18 P5 -","- Cd8 Na6 O36 P10 -","2","1","","Wu, Lei; Huang, Hongyu; Wang, Jialong; Jing, Qun; Huang, Yi; Yu, Xue; Chen, Zhaohui","Two mixed P-O anionic phosphates with a distinctive structural transformation and deep ultraviolet cutoff edge.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8778","8782","10.1039/d5dt00810g","","","0.71073","MoKα","","0.0456","0.0328","","","0.0543","0.0591","","","","","","1.05","","","","has coordinates,has disorder","300772","2025-07-06","15:32:34",""
"7718696","17.9576","0.0012","10.4987","0.0007","6.5119","0.0004","90","","90","","90","","1227.7","0.14","296","2","296.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Mg6 Na8 O30 P8 -","- Mg6 Na8 O30 P8 -","- Mg12 Na16 O60 P16 -","2","0.5","","Wu, Lei; Huang, Hongyu; Wang, Jialong; Jing, Qun; Huang, Yi; Yu, Xue; Chen, Zhaohui","Two mixed P-O anionic phosphates with a distinctive structural transformation and deep ultraviolet cutoff edge.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8778","8782","10.1039/d5dt00810g","","","0.71073","MoKα","","0.0483","0.036","","","0.0668","0.0716","","","","","","1.039","","","","has coordinates","300772","2025-07-06","15:32:34",""
"7718697","10.139","0.001","13.1189","0.0013","13.2117","0.0013","107.881","0.003","102.79","0.003","108.608","0.003","1482.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29.8 H36.9 Au Cl N3 S0.95 -","- C29.7959 H36.8981 Au Cl N3 S0.949 -","- C59.5918 H73.7962 Au2 Cl2 N6 S1.898 -","2","1","","Zhang, Jingli; Xu, Xingyu; Yan, Xiaoyu","Au-involving chalcogen bond in 4-(2-chalcophenyl)-1,2,3-triazolylidene Au(i) complexes: synthesis, characterization, and photophysical properties","Dalton Transactions","2025","54","24","9576","9583","10.1039/D4DT03508A","","x-ray","0.71073","MoKα","","0.0777","0.0518","","","0.1051","0.1145","","","","","","0.997","","","","has coordinates,has disorder","300753","2025-07-06","15:24:58",""
"7718698","10.5521","0.0004","11.9537","0.0005","14.4742","0.0006","93.583","0.003","107.583","0.004","111.135","0.004","1592.9","0.13","117","2","117","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H39 Au Cl N3 S -","- C34 H39 Au Cl N3 S -","- C68 H78 Au2 Cl2 N6 S2 -","2","1","","Zhang, Jingli; Xu, Xingyu; Yan, Xiaoyu","Au-involving chalcogen bond in 4-(2-chalcophenyl)-1,2,3-triazolylidene Au(i) complexes: synthesis, characterization, and photophysical properties","Dalton Transactions","2025","54","24","9576","9583","10.1039/D4DT03508A","","x-ray","0.71073","MoKα","","0.045","0.0368","","","0.064","0.0686","","","","","","1.029","","","","has coordinates,has disorder","300753","2025-07-06","15:24:59",""
"7718699","11.698","0.0004","16.913","0.0004","17.056","0.0004","90","","90","","90","","3374.5","0.16","116.45","0.1","116.45","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 Au N3 S -","- C38 H42 Au N3 S -","- C152 H168 Au4 N12 S4 -","4","1","","Zhang, Jingli; Xu, Xingyu; Yan, Xiaoyu","Au-involving chalcogen bond in 4-(2-chalcophenyl)-1,2,3-triazolylidene Au(i) complexes: synthesis, characterization, and photophysical properties","Dalton Transactions","2025","54","24","9576","9583","10.1039/D4DT03508A","","x-ray","0.71073","MoKα","","0.0486","0.0403","","","0.065","0.0691","","","","","","1.024","","","","has coordinates,has disorder","300753","2025-07-06","15:24:59",""
"7718700","18.1203","0.0006","15.6207","0.0005","21.3516","0.0005","90","","90","","90","","6043.6","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29.47 H36.73 Au I N3 S0.87 -","- C29.4647 H36.7313 Au I N3 S0.866 -","- C235.718 H293.85 Au8 I8 N24 S6.928 -","8","1","","Zhang, Jingli; Xu, Xingyu; Yan, Xiaoyu","Au-involving chalcogen bond in 4-(2-chalcophenyl)-1,2,3-triazolylidene Au(i) complexes: synthesis, characterization, and photophysical properties","Dalton Transactions","2025","54","24","9576","9583","10.1039/D4DT03508A","","x-ray","0.71073","MoKα","","0.0757","0.0527","","","0.125","0.136","","","","","","1.012","","","","has coordinates,has disorder","300753","2025-07-06","15:24:59",""
"7718701","10.2524","0.0007","13.1157","0.0008","13.1894","0.0007","106.567","0.002","104.031","0.002","109.117","0.002","1491.66","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H37 Au Cl N3 Se -","- C30 H37 Au Cl N3 Se -","- C60 H74 Au2 Cl2 N6 Se2 -","2","1","","Zhang, Jingli; Xu, Xingyu; Yan, Xiaoyu","Au-involving chalcogen bond in 4-(2-chalcophenyl)-1,2,3-triazolylidene Au(i) complexes: synthesis, characterization, and photophysical properties","Dalton Transactions","2025","54","24","9576","9583","10.1039/D4DT03508A","","x-ray","0.71073","MoKα","","0.0746","0.0481","","","0.0966","0.1084","","","","","","1.042","","","","has coordinates,has disorder","300753","2025-07-06","15:24:59",""
"7718702","9.3785","0.0004","12.1907","0.0005","14.6726","0.0006","65.596","0.001","84.714","0.001","72.116","0.001","1452.66","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H37 Au Cl N3 S -","- C30 H37 Au Cl N3 S -","- C60 H74 Au2 Cl2 N6 S2 -","2","1","","Zhang, Jingli; Xu, Xingyu; Yan, Xiaoyu","Au-involving chalcogen bond in 4-(2-chalcophenyl)-1,2,3-triazolylidene Au(i) complexes: synthesis, characterization, and photophysical properties","Dalton Transactions","2025","54","24","9576","9583","10.1039/D4DT03508A","","x-ray","0.71073","MoKα","","0.022","0.0199","","","0.0449","0.0456","","","","","","1.025","","","","has coordinates","300753","2025-07-06","15:24:59",""
"7718703","13.8322","0.0003","23.6472","0.0006","21.1792","0.0005","90","","91.678","0.002","90","","6924.6","0.3","116","2","116","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H80 Au Cl7 N6 S2 -","- C63 H80 Au Cl7 N6 S2 -","- C252 H320 Au4 Cl28 N24 S8 -","4","1","","Zhang, Jingli; Xu, Xingyu; Yan, Xiaoyu","Au-involving chalcogen bond in 4-(2-chalcophenyl)-1,2,3-triazolylidene Au(i) complexes: synthesis, characterization, and photophysical properties","Dalton Transactions","2025","54","24","9576","9583","10.1039/D4DT03508A","","x-ray","0.71073","MoKα","","0.0832","0.0534","","","0.1081","0.1236","","","","","","1.042","","","","has coordinates,has disorder","300753","2025-07-06","15:24:59",""
"7718704","11.2765","0.0014","12.4838","0.0017","14.6886","0.0018","90","","90.381","0.003","90","","2067.7","0.5","273","2","273","2","","","","","","","Synthesized","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Cl2 Cu N5 O8 -","- C14 H21 Cl2 Cu N5 O8 -","- C56 H84 Cl8 Cu4 N20 O32 -","4","1","","Das, Pranjal; Kuilya, Hemrupa; Basak, Swati; Hazarika, Baisali; Ray, Joydeep; Sarma, Debajit; Choudhury, Diganta; Kalita, Apurba","Enhancing electrocatalytic water oxidation: ligand complementarity in ternary Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9418","9426","10.1039/d5dt00790a","","x-ray","0.71073","MoKα","","0.0536","0.0435","","","0.1064","0.1147","","","","","","1.036","","","","has coordinates","300945","2025-07-06","16:52:35",""
"7718705","8.702","0.004","6.252","0.003","8.543","0.003","90","","90","","90","","464.8","0.3","273","2","273","2","","","","","","","Synthesized","5","P m m n :2","-P 2ab 2a","59","","","","- C4 H12 Br2 Cu N3 -","- C4 H12 Br2 Cu N3 -","- C8 H24 Br4 Cu2 N6 -","2","0.25","","Das, Pranjal; Kuilya, Hemrupa; Basak, Swati; Hazarika, Baisali; Ray, Joydeep; Sarma, Debajit; Choudhury, Diganta; Kalita, Apurba","Enhancing electrocatalytic water oxidation: ligand complementarity in ternary Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9418","9426","10.1039/d5dt00790a","","x-ray","0.71073","MoKα","","0.0308","0.0257","","","0.0565","0.0585","","","","","","1.153","","","","has coordinates,has disorder","300945","2025-07-06","16:52:44",""
"7718706","8.135","0.002","10.258","0.003","13.835","0.004","98.26","0.007","106.413","0.007","91.759","0.008","1092.9","0.5","273","2","273","2","","","","","","","Synthesized","6","P -1","-P 1","2","","","","- C16 H21 Cl2 Cu N5 O8 -","- C16 H21 Cl2 Cu N5 O8 -","- C32 H42 Cl4 Cu2 N10 O16 -","2","1","","Das, Pranjal; Kuilya, Hemrupa; Basak, Swati; Hazarika, Baisali; Ray, Joydeep; Sarma, Debajit; Choudhury, Diganta; Kalita, Apurba","Enhancing electrocatalytic water oxidation: ligand complementarity in ternary Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9418","9426","10.1039/d5dt00790a","","x-ray","0.71073","MoKα","","0.0592","0.0409","","","0.0877","0.0972","","","","","","1.052","","","","has coordinates,has disorder","300945","2025-07-06","16:52:45",""
"7718707","13.234","0.004","9.107","0.002","22.063","0.006","90","","106.596","0.007","90","","2548.3","1.2","296","2","296","2","","","","","","","Synthesized","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cl2 Cu N5 O8 -","- C24 H21 Cl2 Cu N5 O8 -","- C96 H84 Cl8 Cu4 N20 O32 -","4","1","","Das, Pranjal; Kuilya, Hemrupa; Basak, Swati; Hazarika, Baisali; Ray, Joydeep; Sarma, Debajit; Choudhury, Diganta; Kalita, Apurba","Enhancing electrocatalytic water oxidation: ligand complementarity in ternary Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9418","9426","10.1039/d5dt00790a","","x-ray","0.71073","MoKα","","0.0652","0.0411","","","0.0857","0.0963","","","","","","1.02","","","","has coordinates","300945","2025-07-06","16:52:45",""
"7718708","8.321","0.006","10.361","0.007","13.426","0.009","96.255","0.015","102.884","0.015","93.675","0.014","1117","1.3","296","2","296","2","","","","","","","Synthesized","6","P -1","-P 1","2","","","","- C16 H21 Cl2 N5 O8 Zn -","- C16 H21 Cl2 N5 O8 Zn -","- C32 H42 Cl4 N10 O16 Zn2 -","2","1","","Das, Pranjal; Kuilya, Hemrupa; Basak, Swati; Hazarika, Baisali; Ray, Joydeep; Sarma, Debajit; Choudhury, Diganta; Kalita, Apurba","Enhancing electrocatalytic water oxidation: ligand complementarity in ternary Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9418","9426","10.1039/d5dt00790a","","x-ray","0.71073","MoKα","","0.0514","0.0389","","","0.0986","0.1083","","","","","","1.091","","","","has coordinates,has disorder","300945","2025-07-06","16:52:45",""
"7718709","7.908","0.017","10.73","0.02","13.24","0.03","102.09","0.04","105.558","0.018","95.97","0.03","1043","4","296","2","296","2","","","","","","","Synthesized","6","P -1","-P 1","2","","","","- C14 H21 Cl2 N5 O8 Zn -","- C14 H21 Cl2 N5 O8 Zn -","- C28 H42 Cl4 N10 O16 Zn2 -","2","1","","Das, Pranjal; Kuilya, Hemrupa; Basak, Swati; Hazarika, Baisali; Ray, Joydeep; Sarma, Debajit; Choudhury, Diganta; Kalita, Apurba","Enhancing electrocatalytic water oxidation: ligand complementarity in ternary Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9418","9426","10.1039/d5dt00790a","","x-ray","0.71073","MoKα","","0.0474","0.0371","","","0.0968","0.1051","","","","","","1.046","","","","has coordinates","300945","2025-07-06","16:52:45",""
"7718710","11.7537","0.0016","9.5153","0.0013","23.375","0.003","90","","100.793","0.006","90","","2568","0.6","293","2","293","2","","","","","","","Synthesized","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl2 Cu N5 O8 -","- C22 H21 Cl2 Cu N5 O8 -","- C88 H84 Cl8 Cu4 N20 O32 -","4","1","","Das, Pranjal; Kuilya, Hemrupa; Basak, Swati; Hazarika, Baisali; Ray, Joydeep; Sarma, Debajit; Choudhury, Diganta; Kalita, Apurba","Enhancing electrocatalytic water oxidation: ligand complementarity in ternary Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9418","9426","10.1039/d5dt00790a","","x-ray","0.71073","MoKα","","0.048","0.038","","","0.0983","0.1066","","","","","","1.081","","","","has coordinates","300945","2025-07-06","16:52:45",""
"7718711","10.864","0.005","15.501","0.007","15.746","0.007","72.293","0.011","88.106","0.013","86.467","0.012","2521","2","293","2","293","2","","","","","","","Synthesized","6","P -1","-P 1","2","","","","- C25 H19 Cl2 Cu N5 O8 -","- C25 H19 Cl2 Cu N5 O8 -","- C100 H76 Cl8 Cu4 N20 O32 -","4","2","","Das, Pranjal; Kuilya, Hemrupa; Basak, Swati; Hazarika, Baisali; Ray, Joydeep; Sarma, Debajit; Choudhury, Diganta; Kalita, Apurba","Enhancing electrocatalytic water oxidation: ligand complementarity in ternary Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9418","9426","10.1039/d5dt00790a","","x-ray","0.71073","MoKα","","0.0636","0.0386","","","0.0864","0.098","","","","","","1.04","","","","has coordinates","300945","2025-07-06","16:52:45",""
"7718712","11.3315","0.0001","19.5059","0.0002","23.4078","0.0003","102.608","0.001","99.061","0.001","102.377","0.001","4817.17","0.1","100.01","0.1","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H93 Cl3 Cu2 F36 N8 P2 -","- C81 H93 Cl3 Cu2 F36 N8 P2 -","- C162 H186 Cl6 Cu4 F72 N16 P4 -","2","1","","Riethmann, Melanie; Föhrenbacher, Steffen A; Luz, Christian; Ignat'ev, Nikolai V.; Finze, Maik; Radius, Udo","Tris(pentafluoroethyl)difluorophosphorane for fluoride abstraction and ligand exchange reactions of N-heterocyclic carbene and cyclic alkyl(amino)carbene copper(I) fluorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9310","9328","10.1039/d5dt00904a","","","1.54184","CuKα","","0.0584","0.0533","","","0.1519","0.1571","","","","","","1.063","","","","has coordinates,has disorder","300953","2025-07-06","16:57:29",""
"7718713","12.6001","0.0001","22.047","0.0002","16.4358","0.0002","90","","106.599","0.001","90","","4375.51","0.08","100","0.1","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H42 Cu F18 N4 P -","- C37 H42 Cu F18 N4 P -","- C148 H168 Cu4 F72 N16 P4 -","4","1","","Riethmann, Melanie; Föhrenbacher, Steffen A; Luz, Christian; Ignat'ev, Nikolai V.; Finze, Maik; Radius, Udo","Tris(pentafluoroethyl)difluorophosphorane for fluoride abstraction and ligand exchange reactions of N-heterocyclic carbene and cyclic alkyl(amino)carbene copper(I) fluorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9310","9328","10.1039/d5dt00904a","","","1.54184","CuKα","","0.0602","0.0503","","","0.1064","0.1113","","","","","","0.928","","","","has coordinates","300953","2025-07-06","16:57:30",""
"7718714","13.913","0.0001","15.0015","0.0001","17.8934","0.0001","90","","96.121","0.001","90","","3713.35","0.04","99.98","0.1","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 Cu F18 N2 P -","- C32 H38 Cu F18 N2 P -","- C128 H152 Cu4 F72 N8 P4 -","4","1","","Riethmann, Melanie; Föhrenbacher, Steffen A; Luz, Christian; Ignat'ev, Nikolai V.; Finze, Maik; Radius, Udo","Tris(pentafluoroethyl)difluorophosphorane for fluoride abstraction and ligand exchange reactions of N-heterocyclic carbene and cyclic alkyl(amino)carbene copper(I) fluorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9310","9328","10.1039/d5dt00904a","","","1.54184","CuKα","","0.0652","0.0614","","","0.1705","0.175","","","","","","1.034","","","","has coordinates","300953","2025-07-06","16:57:30",""
"7718715","12.7053","0.0001","13.7755","0.0001","16.529","0.0002","73.09","0.001","68.19","0.001","86.469","0.001","2566.21","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H52 Cu F18 N3 O P -","- C49 H52 Cu F18 N3 O P -","- C98 H104 Cu2 F36 N6 O2 P2 -","2","1","","Riethmann, Melanie; Föhrenbacher, Steffen A; Luz, Christian; Ignat'ev, Nikolai V.; Finze, Maik; Radius, Udo","Tris(pentafluoroethyl)difluorophosphorane for fluoride abstraction and ligand exchange reactions of N-heterocyclic carbene and cyclic alkyl(amino)carbene copper(I) fluorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9310","9328","10.1039/d5dt00904a","","","1.54184","CuKα","","0.0572","0.0522","","","0.145","0.1495","","","","","","1.075","","","","has coordinates","300953","2025-07-06","16:57:30",""
"7718716","13.9811","0.0001","17.2021","0.0002","14.0999","0.0001","90","","102.622","0.001","90","","3309.13","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H66 Cu2 F36 N4 P2 -","- C56 H66 Cu2 F36 N4 P2 -","- C112 H132 Cu4 F72 N8 P4 -","2","0.5","","Riethmann, Melanie; Föhrenbacher, Steffen A; Luz, Christian; Ignat'ev, Nikolai V.; Finze, Maik; Radius, Udo","Tris(pentafluoroethyl)difluorophosphorane for fluoride abstraction and ligand exchange reactions of N-heterocyclic carbene and cyclic alkyl(amino)carbene copper(I) fluorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9310","9328","10.1039/d5dt00904a","","","1.54184","CuKα","","0.0666","0.0625","","","0.1803","0.1852","","","","","","1.058","","","","has coordinates,has disorder","300953","2025-07-06","16:57:30",""
"7718717","16.1433","0.0004","16.7833","0.0003","17.5037","0.0004","90","","103.057","0.003","90","","4619.8","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H45 Cu F18 N3 P -","- C46 H45 Cu F18 N3 P -","- C184 H180 Cu4 F72 N12 P4 -","4","1","","Riethmann, Melanie; Föhrenbacher, Steffen A; Luz, Christian; Ignat'ev, Nikolai V.; Finze, Maik; Radius, Udo","Tris(pentafluoroethyl)difluorophosphorane for fluoride abstraction and ligand exchange reactions of N-heterocyclic carbene and cyclic alkyl(amino)carbene copper(I) fluorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9310","9328","10.1039/d5dt00904a","","","0.71073","MoKα","","0.0657","0.0399","","","0.0939","0.1047","","","","","","1.016","","","","has coordinates","300953","2025-07-06","16:57:30",""
"7718718","14.0811","0.0001","19.3466","0.0001","17.9192","0.0001","90","","96.86","0.001","90","","4846.63","0.05","100","0.1","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 Cu F18 N2 O P -","- C46 H46 Cu F18 N2 O P -","- C184 H184 Cu4 F72 N8 O4 P4 -","4","1","","Riethmann, Melanie; Föhrenbacher, Steffen A; Luz, Christian; Ignat'ev, Nikolai V.; Finze, Maik; Radius, Udo","Tris(pentafluoroethyl)difluorophosphorane for fluoride abstraction and ligand exchange reactions of N-heterocyclic carbene and cyclic alkyl(amino)carbene copper(I) fluorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9310","9328","10.1039/d5dt00904a","","","1.54184","CuKα","","0.0609","0.0565","","","0.1478","0.1517","","","","","","1.044","","","","has coordinates,has disorder","300953","2025-07-06","16:57:30",""
"7718719","15.1518","0.0001","15.5318","0.0001","22.8248","0.0001","90.219","0.001","103.786","0.001","112.707","0.001","4784.79","0.07","99.98","0.11","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H90 Cu2 F40 N6 O2 P2 -","- C88 H90 Cu2 F40 N6 O2 P2 -","- C176 H180 Cu4 F80 N12 O4 P4 -","2","1","","Riethmann, Melanie; Föhrenbacher, Steffen A; Luz, Christian; Ignat'ev, Nikolai V.; Finze, Maik; Radius, Udo","Tris(pentafluoroethyl)difluorophosphorane for fluoride abstraction and ligand exchange reactions of N-heterocyclic carbene and cyclic alkyl(amino)carbene copper(I) fluorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9310","9328","10.1039/d5dt00904a","","","1.54184","CuKα","","0.0829","0.0778","","","0.2293","0.235","","","","","","1.069","","","","has coordinates,has disorder","300953","2025-07-06","16:57:30",""
"7718720","13.9829","0.0002","17.2015","0.0003","18.1556","0.0003","90","","96.731","0.001","90","","4336.81","0.12","99.99","0.1","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 Cu F18 N3 P -","- C40 H41 Cu F18 N3 P -","- C160 H164 Cu4 F72 N12 P4 -","4","1","","Riethmann, Melanie; Föhrenbacher, Steffen A; Luz, Christian; Ignat'ev, Nikolai V.; Finze, Maik; Radius, Udo","Tris(pentafluoroethyl)difluorophosphorane for fluoride abstraction and ligand exchange reactions of N-heterocyclic carbene and cyclic alkyl(amino)carbene copper(I) fluorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9310","9328","10.1039/d5dt00904a","","","1.54184","CuKα","","0.0378","0.032","","","0.0835","0.0865","","","","","","1.072","","","","has coordinates","300953","2025-07-06","16:57:30",""
"7718721","15.3271","0.0002","16.1495","0.0002","17.9666","0.0003","90","","101.916","0.001","90","","4351.35","0.11","100","0.1","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H46 Cu F18 N2 P S -","- C37 H46 Cu F18 N2 P S -","- C148 H184 Cu4 F72 N8 P4 S4 -","4","1","","Riethmann, Melanie; Föhrenbacher, Steffen A; Luz, Christian; Ignat'ev, Nikolai V.; Finze, Maik; Radius, Udo","Tris(pentafluoroethyl)difluorophosphorane for fluoride abstraction and ligand exchange reactions of N-heterocyclic carbene and cyclic alkyl(amino)carbene copper(I) fluorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9310","9328","10.1039/d5dt00904a","","","1.54184","CuKα","","0.0635","0.0572","","","0.1531","0.1589","","","","","","1.053","","","","has coordinates","300953","2025-07-06","16:57:30",""
"7718722","12.7528","0.0001","21.88","0.0002","16.764","0.0001","90","","96.418","0.001","90","","4648.36","0.06","99.9","0.5","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H47 Cu F18 N3 P -","- C45 H47 Cu F18 N3 P -","- C180 H188 Cu4 F72 N12 P4 -","4","1","","Riethmann, Melanie; Föhrenbacher, Steffen A; Luz, Christian; Ignat'ev, Nikolai V.; Finze, Maik; Radius, Udo","Tris(pentafluoroethyl)difluorophosphorane for fluoride abstraction and ligand exchange reactions of N-heterocyclic carbene and cyclic alkyl(amino)carbene copper(I) fluorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9310","9328","10.1039/d5dt00904a","","","1.54184","CuKα","","0.0416","0.0375","","","0.097","0.0996","","","","","","1.049","","","","has coordinates,has disorder","300953","2025-07-06","16:57:30",""
"7718723","14.6881","0.0002","21.2716","0.0005","14.956","0.0003","90","","91.888","0.002","90","","4670.31","0.16","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C73 H81 Cl9 Cu2 F36 N10 P2 -","- C73 H81 Cl9 Cu2 F36 N10 P2 -","- C146 H162 Cl18 Cu4 F72 N20 P4 -","2","0.5","","Riethmann, Melanie; Föhrenbacher, Steffen A; Luz, Christian; Ignat'ev, Nikolai V.; Finze, Maik; Radius, Udo","Tris(pentafluoroethyl)difluorophosphorane for fluoride abstraction and ligand exchange reactions of N-heterocyclic carbene and cyclic alkyl(amino)carbene copper(I) fluorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9310","9328","10.1039/d5dt00904a","","","1.54184","CuKα","","0.1142","0.1028","","","0.2751","0.2842","","","","","","1.041","","","","has coordinates,has disorder","300953","2025-07-06","16:57:30",""
"7718724","14.0578","0.0001","16.1196","0.0002","15.846","0.0001","90","","94.215","0.001","90","","3581.09","0.06","99.9","0.3","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 Cu F18 N2 P -","- C31 H36 Cu F18 N2 P -","- C124 H144 Cu4 F72 N8 P4 -","4","1","","Riethmann, Melanie; Föhrenbacher, Steffen A; Luz, Christian; Ignat'ev, Nikolai V.; Finze, Maik; Radius, Udo","Tris(pentafluoroethyl)difluorophosphorane for fluoride abstraction and ligand exchange reactions of N-heterocyclic carbene and cyclic alkyl(amino)carbene copper(I) fluorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9310","9328","10.1039/d5dt00904a","","","1.54184","CuKα","","0.0382","0.0345","","","0.0916","0.0946","","","","","","1.052","","","","has coordinates,has disorder","300953","2025-07-06","16:57:30",""
"7718725","13.8496","0.0004","17.331","0.0005","14.6695","0.0004","90","","101.873","0.002","90","","3445.75","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H74 Cu2 F36 N4 P2 -","- C58 H74 Cu2 F36 N4 P2 -","- C116 H148 Cu4 F72 N8 P4 -","2","0.5","","Riethmann, Melanie; Föhrenbacher, Steffen A; Luz, Christian; Ignat'ev, Nikolai V.; Finze, Maik; Radius, Udo","Tris(pentafluoroethyl)difluorophosphorane for fluoride abstraction and ligand exchange reactions of N-heterocyclic carbene and cyclic alkyl(amino)carbene copper(I) fluorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9310","9328","10.1039/d5dt00904a","","","0.71073","MoKα","","0.0566","0.0367","","","0.086","0.0948","","","","","","1.036","","","","has coordinates,has disorder","300953","2025-07-06","16:57:30",""
"7718726","18.6351","0.0001","20.2024","0.0001","23.2542","0.0001","90","","90","","90","","8754.6","0.07","99.99","0.1","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H39 Cu F20 N3 P -","- C38 H39 Cu F20 N3 P -","- C304 H312 Cu8 F160 N24 P8 -","8","1","","Riethmann, Melanie; Föhrenbacher, Steffen A; Luz, Christian; Ignat'ev, Nikolai V.; Finze, Maik; Radius, Udo","Tris(pentafluoroethyl)difluorophosphorane for fluoride abstraction and ligand exchange reactions of N-heterocyclic carbene and cyclic alkyl(amino)carbene copper(I) fluorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9310","9328","10.1039/d5dt00904a","","","1.54184","CuKα","","0.0559","0.0529","","","0.1442","0.147","","","","","","1.032","","","","has coordinates,has disorder","300953","2025-07-06","16:57:30",""
"7718727","12.7224","0.0002","16.7168","0.0002","21.0326","0.0002","98.61","0.001","107.347","0.001","95.163","0.001","4178.42","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H79 Cl3 Cu2 F36 N6 P2 -","- C67 H79 Cl3 Cu2 F36 N6 P2 -","- C134 H158 Cl6 Cu4 F72 N12 P4 -","2","1","","Riethmann, Melanie; Föhrenbacher, Steffen A; Luz, Christian; Ignat'ev, Nikolai V.; Finze, Maik; Radius, Udo","Tris(pentafluoroethyl)difluorophosphorane for fluoride abstraction and ligand exchange reactions of N-heterocyclic carbene and cyclic alkyl(amino)carbene copper(I) fluorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9310","9328","10.1039/d5dt00904a","","","1.54184","CuKα","","0.0981","0.0904","","","0.252","0.2629","","","","","","1.034","","","","has coordinates,has disorder","300953","2025-07-06","16:57:30",""
"7718728","10.9336","0.0001","43.2109","0.0005","19.84","0.0002","90","","98.087","0.001","90","","9280.21","0.17","99.98","0.12","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85 H98 Cu2 F36 N6 P2 -","- C85 H98 Cu2 F36 N6 P2 -","- C340 H392 Cu8 F144 N24 P8 -","4","1","","Riethmann, Melanie; Föhrenbacher, Steffen A; Luz, Christian; Ignat'ev, Nikolai V.; Finze, Maik; Radius, Udo","Tris(pentafluoroethyl)difluorophosphorane for fluoride abstraction and ligand exchange reactions of N-heterocyclic carbene and cyclic alkyl(amino)carbene copper(I) fluorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9310","9328","10.1039/d5dt00904a","","","1.54184","CuKα","","0.077","0.065","","","0.1577","0.1653","","","","","","1.051","","","","has coordinates,has disorder","300953","2025-07-06","16:57:30",""
"7718729","33.849","0.007","6.3251","0.0005","25.455","0.005","90","","131.55","0.03","90","","4079","2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H32 F3 N2 O5 P -","- C14 H32 F3 N2 O5 P -","- C112 H256 F24 N16 O40 P8 -","8","1","","Kumar, Anuj; Murugavel, Ramaswamy","Thermally labile mono-alkyl phosphates and their alkali metal derivatives: synthesis and solid-state supramolecular aggregation.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10691","10709","10.1039/d5dt00255a","","","0.71073","MoKα","","0.0998","0.0614","","","0.132","0.1617","","","","","","1.035","","","","has coordinates","303729","2025-11-29","20:11:38",""
"7718730","13.142","0.002","6.0035","0.001","10.6035","0.0018","90","","97.597","0.006","90","","829.3","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H13 O4 P -","- C5 H13 O4 P -","- C20 H52 O16 P4 -","4","1","","Kumar, Anuj; Murugavel, Ramaswamy","Thermally labile mono-alkyl phosphates and their alkali metal derivatives: synthesis and solid-state supramolecular aggregation.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10691","10709","10.1039/d5dt00255a","","x-ray","0.71073","MoKα","","0.0482","0.0374","","","0.0839","0.0881","","","","","","1.084","","","","has coordinates","303729","2025-11-29","20:11:40",""
"7718731","4.5644","0.0007","5.0754","0.0009","13.312","0.002","90","","97.992","0.015","90","","305.39","0.09","107","5","107","5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H4 F3 O4 P -","- C2 H4 F3 O4 P -","- C4 H8 F6 O8 P2 -","2","1","","Kumar, Anuj; Murugavel, Ramaswamy","Thermally labile mono-alkyl phosphates and their alkali metal derivatives: synthesis and solid-state supramolecular aggregation.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10691","10709","10.1039/d5dt00255a","","x-ray","0.71073","MoKα","","0.0551","0.0505","","","0.1295","0.1329","","","","","","1.17","","","","has coordinates","303729","2025-11-29","20:11:41",""
"7718732","6.4002","0.0003","7.2796","0.0002","19.5571","0.0009","86.018","0.003","87.767","0.004","87.427","0.003","907.48","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C8 H28 F3 N Na O10 P -","- C8 H28 F3 N Na O10 P -","- C16 H56 F6 N2 Na2 O20 P2 -","2","1","","Kumar, Anuj; Murugavel, Ramaswamy","Thermally labile mono-alkyl phosphates and their alkali metal derivatives: synthesis and solid-state supramolecular aggregation.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10691","10709","10.1039/d5dt00255a","","x-ray","0.71073","MoKα","","0.0661","0.0559","","","0.1427","0.1527","","","","","","1.105","","","","has coordinates","303729","2025-11-29","20:11:41",""
"7718733","14.599","0.007","6.622","0.003","13.912","0.006","90","","95.369","0.012","90","","1339","1.1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 F6 Na2 O8 P2 -","- C4 H6 F6 Na2 O8 P2 -","- C16 H24 F24 Na8 O32 P8 -","4","1","","Kumar, Anuj; Murugavel, Ramaswamy","Thermally labile mono-alkyl phosphates and their alkali metal derivatives: synthesis and solid-state supramolecular aggregation.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10691","10709","10.1039/d5dt00255a","","x-ray","0.71073","MoKα","","0.111","0.0679","","","0.1734","0.2057","","","","","","1.04","","","","has coordinates","303729","2025-11-29","20:11:41",""
"7718734","15.4547","0.001","6.4842","0.0003","25.2056","0.0017","90","","104.49","0.007","90","","2445.5","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H45 N2 O6 P -","- C18 H45 N2 O6 P -","- C72 H180 N8 O24 P4 -","4","1","","Kumar, Anuj; Murugavel, Ramaswamy","Thermally labile mono-alkyl phosphates and their alkali metal derivatives: synthesis and solid-state supramolecular aggregation.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10691","10709","10.1039/d5dt00255a","","x-ray","0.71073","MoKα","","0.1067","0.0729","","","0.1695","0.1941","","","","","","1.0398","","","","has coordinates","303729","2025-11-29","20:11:41",""
"7718735","8.0883","0.0005","8.7705","0.0008","14.579","0.0013","103.79","0.008","90.794","0.006","115.729","0.008","896.65","0.15","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H9 F9 Li3 O12 P3 -","- C6 H9 F9 Li3 O12 P3 -","- C12 H18 F18 Li6 O24 P6 -","2","1","","Kumar, Anuj; Murugavel, Ramaswamy","Thermally labile mono-alkyl phosphates and their alkali metal derivatives: synthesis and solid-state supramolecular aggregation.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10691","10709","10.1039/d5dt00255a","","x-ray","0.71073","MoKα","","0.0969","0.058","","","0.1401","0.1605","","","","","","1.05","","","","has coordinates","303729","2025-11-29","20:11:41",""
"7718736","31.28","0.003","13.2146","0.0011","22.686","0.004","90","","128.651","0.002","90","","7323.4","1.6","106.55","","106.55","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H84 B18 N4 O14 Zn3 -","- C48 H84 B18 N4 O14 Zn3 -","- C192 H336 B72 N16 O56 Zn12 -","4","0.5","","Xue, Jin-Bian; Wang, Jia-Ni; Chen, Ke-Cheng; Cheng, Qian; Zhang, Jia-Ying; Xiao, Xu-Qiong","A comparative study on <i>nido</i>- and <i>closo</i>-carborane supported zinc-salen catalysts for the ROCOP of epoxides and anhydrides.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8400","8404","10.1039/d5dt00946d","","x-ray","0.71073","MoKα","","0.0974","0.0501","","","0.1088","0.1264","","","","","","1.007","","","","has coordinates,has disorder","300963","2025-07-06","17:01:33",""
"7718737","8.8274","0.0008","17.7768","0.0012","13.8438","0.0012","90","","90","","90","","2172.4","0.3","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H22 B10 N2 O3 Zn -","- C16 H22 B10 N2 O3 Zn -","- C64 H88 B40 N8 O12 Zn4 -","4","0.5","","Xue, Jin-Bian; Wang, Jia-Ni; Chen, Ke-Cheng; Cheng, Qian; Zhang, Jia-Ying; Xiao, Xu-Qiong","A comparative study on <i>nido</i>- and <i>closo</i>-carborane supported zinc-salen catalysts for the ROCOP of epoxides and anhydrides.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8400","8404","10.1039/d5dt00946d","","x-ray","0.71073","MoKα","","0.0741","0.0498","","","0.1107","0.1251","","","","","","1.052","","","","has coordinates","300963","2025-07-06","17:01:33",""
"7718738","10.39","0.006","12.226","0.007","22.24","0.013","103.925","0.012","99.199","0.012","97.975","0.012","2660","3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H69 B9 Cl4 N4 O2 Zn -","- C37 H69 B9 Cl4 N4 O2 Zn -","- C74 H138 B18 Cl8 N8 O4 Zn2 -","2","1","","Xue, Jin-Bian; Wang, Jia-Ni; Chen, Ke-Cheng; Cheng, Qian; Zhang, Jia-Ying; Xiao, Xu-Qiong","A comparative study on <i>nido</i>- and <i>closo</i>-carborane supported zinc-salen catalysts for the ROCOP of epoxides and anhydrides.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8400","8404","10.1039/d5dt00946d","","","0.71073","MoKα","","0.1441","0.0642","","","0.1417","0.1737","","","","","","0.96","","","","has coordinates","300963","2025-07-06","17:01:33",""
"7718739","7.2195","0.0002","21.868","0.0006","9.3469","0.0002","90","","103.143","0.001","90","","1437","0.06","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 Br4 Cd N2 O0 -","- C7 H12 Br4 Cd N2 -","- C28 H48 Br16 Cd4 N8 -","4","1","","Kim, Boyoung; Ok, Kang Min","Dimensionality-driven photoluminescence enhancement in Cl/Br mixed-halide organic-inorganic hybrid cadmium halides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9261","9269","10.1039/d5dt00908a","","","0.71073","MoKα","","0.0453","0.0303","","","0.0653","0.0775","","","","","","1.073","","","","has coordinates","300940","2025-07-06","16:49:56",""
"7718740","7.5301","0.0004","11.6305","0.0006","15.4375","0.0008","93.423","0.002","91.204","0.002","100.372","0.002","1326.84","0.12","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H48 Cd5 Cl18 N8 -","- C28 H48 Cd5 Cl18 N8 -","- C28 H48 Cd5 Cl18 N8 -","1","0.5","","Kim, Boyoung; Ok, Kang Min","Dimensionality-driven photoluminescence enhancement in Cl/Br mixed-halide organic-inorganic hybrid cadmium halides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9261","9269","10.1039/d5dt00908a","","","0.71073","MoKα","","0.0598","0.0457","","","0.0928","0.0978","","","","","","1.099","","","","has coordinates","300940","2025-07-06","16:49:57",""
"7718741","6.5194","0.0002","9.2971","0.0003","11.4021","0.0003","87.568","0.001","87.935","0.001","84.499","0.001","686.94","0.04","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C7 H12 Br1.98 Cd Cl2.02 N2 O0 -","- C7 H12 Br1.976 Cd Cl2.024 N2 -","- C14 H24 Br3.952 Cd2 Cl4.048 N4 -","2","1","","Kim, Boyoung; Ok, Kang Min","Dimensionality-driven photoluminescence enhancement in Cl/Br mixed-halide organic-inorganic hybrid cadmium halides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9261","9269","10.1039/d5dt00908a","","","0.71073","MoKα","","0.0422","0.0313","","","0.0762","0.0863","","","","","","1.06","","","","has coordinates,has disorder","300940","2025-07-06","16:49:57",""
"7718742","7.5987","0.0002","11.7771","0.0003","15.6318","0.0003","93.707","0.001","90.91","0.001","101.383","0.001","1367.93","0.06","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H48 Br3.95 Cd5 Cl14.05 N8 -","- C28 H48 Br3.99 Cd5 Cl14.01 N8 -","- C28 H48 Br3.99 Cd5 Cl14.01 N8 -","1","0.5","","Kim, Boyoung; Ok, Kang Min","Dimensionality-driven photoluminescence enhancement in Cl/Br mixed-halide organic-inorganic hybrid cadmium halides.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9261","9269","10.1039/d5dt00908a","","","0.71073","MoKα","","0.0813","0.0502","","","0.139","0.1662","","","","","","1.037","","","","has coordinates,has disorder","300940","2025-07-06","16:49:57",""
"7718743","7.5466","0.0004","11.1792","0.0006","13.3465","0.0007","107.06","0.002","92.186","0.002","106.08","0.002","1025.54","0.1","284.07","","284.07","","","","","","","","","6","P 1","P 1","1","","","","- C30 H50 Cu N8 O22 P2 -","- C30 H50 Cu N8 O22 P2 -","- C30 H50 Cu N8 O22 P2 -","1","1","","Khan, Yaqoot; Du, Yunyun; Yan, Li; Zhang, Niu; Zhang, Menglei; Ma, Hongwei; Li, Hui","Structural diversity of nucleotide coordination polymers of cytidine mono-, di-, and tri-phosphates and their selective recognition of tryptophan and tyrosine.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9145","9159","10.1039/d5dt00786k","","","0.71073","MoKα","","0.0385","0.0292","","","0.0566","0.0589","","","","","","0.981","","","","has coordinates","300952","2025-07-06","16:56:03",""
"7718744","7.0931","0.0004","9.8028","0.0005","10.6048","0.0005","104.396","0.002","106.502","0.002","93.529","0.002","677.83","0.06","298","2","298","","","","","","","","","6","P 1","P 1","1","","","","- C19 H24 Cu N5 O16 P3 -","- C19 H24 Cu N5 O16 P3 -","- C19 H24 Cu N5 O16 P3 -","1","1","","Khan, Yaqoot; Du, Yunyun; Yan, Li; Zhang, Niu; Zhang, Menglei; Ma, Hongwei; Li, Hui","Structural diversity of nucleotide coordination polymers of cytidine mono-, di-, and tri-phosphates and their selective recognition of tryptophan and tyrosine.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9145","9159","10.1039/d5dt00786k","","","0.71073","MoKα","","0.03","0.0262","","","0.0586","0.0606","","","","","","0.95","","","","has coordinates","300952","2025-07-06","16:56:04",""
"7718745","11.0705","0.0004","22.3081","0.001","20.3416","0.0009","90","","90","","90","","5023.6","0.4","284.07","","284.07","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C19 H31 Cu N5 O12.5 P -","- C19 H31 Cu N5 O12.5 P -","- C152 H248 Cu8 N40 O100 P8 -","8","1","","Khan, Yaqoot; Du, Yunyun; Yan, Li; Zhang, Niu; Zhang, Menglei; Ma, Hongwei; Li, Hui","Structural diversity of nucleotide coordination polymers of cytidine mono-, di-, and tri-phosphates and their selective recognition of tryptophan and tyrosine.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9145","9159","10.1039/d5dt00786k","","","0.71073","MoKα","","0.0475","0.0323","","","0.0726","0.078","","","","","","1.022","","","","has coordinates","300952","2025-07-06","16:56:04",""
"7718746","11.8834","0.0005","15.5226","0.0008","12.9286","0.0006","90","","101.789","0.001","90","","2334.52","0.19","298","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H43 Cu2 N10 O27 P4 -","- C28 H43 Cu2 N10 O27 P4 -","- C56 H86 Cu4 N20 O54 P8 -","2","1","","Khan, Yaqoot; Du, Yunyun; Yan, Li; Zhang, Niu; Zhang, Menglei; Ma, Hongwei; Li, Hui","Structural diversity of nucleotide coordination polymers of cytidine mono-, di-, and tri-phosphates and their selective recognition of tryptophan and tyrosine.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9145","9159","10.1039/d5dt00786k","","","0.71073","MoKα","","0.0588","0.041","","","0.0988","0.1064","","","","","","1.053","","","","has coordinates","300952","2025-07-06","16:56:04",""
"7718747","11.043","0.0005","11.1177","0.0005","14.0646","0.0006","88.373","0.001","68.575","0.001","70.772","0.001","1509.44","0.12","297.61","","297.61","","","","","","","","","6","P 1","P 1","1","","","","- C42 H67.11 Cd2 N10 O31.55 P4 -","- C42 H67.108 Cd2 N10 O31.554 P4 -","- C42 H67.108 Cd2 N10 O31.554 P4 -","1","1","","Khan, Yaqoot; Du, Yunyun; Yan, Li; Zhang, Niu; Zhang, Menglei; Ma, Hongwei; Li, Hui","Structural diversity of nucleotide coordination polymers of cytidine mono-, di-, and tri-phosphates and their selective recognition of tryptophan and tyrosine.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9145","9159","10.1039/d5dt00786k","","","0.71073","MoKα","","0.0382","0.0338","","","0.084","0.0858","","","","","","1.056","","","","has coordinates,has disorder","300952","2025-07-06","16:56:04",""
"7718748","9.2231","0.0008","14.0026","0.0012","12.7924","0.0009","90","","101.865","0.003","90","","1616.8","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H52 Br4 Mn N4 O10 -","- C16 H52 Br4 Mn N4 O10 -","- C32 H104 Br8 Mn2 N8 O20 -","2","0.5","","Liu, Jiamin; Ruan, Yuntao; Qin, Qiaoqi; Shen, Yong; Wang, Zhengliang; Kuang, Daibin; Jiang, Long","Adaptive hydrogen-bonding strategy driven 0D manganese-based metal halides with multifunctional fluorescent applications.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9032","9038","10.1039/d5dt00491h","","","1.34138","GaKα","","0.0709","0.0426","","","0.0947","0.1066","","","","","","1.06","","","","has coordinates","300770","2025-07-06","15:32:12",""
"7718749","10.9769","0.0009","16.9599","0.0014","12.4404","0.0011","90","","90.029","0.003","90","","2316","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 Br4 Mn N4 -","- C16 H32 Br4 Mn N4 -","- C64 H128 Br16 Mn4 N16 -","4","1","","Liu, Jiamin; Ruan, Yuntao; Qin, Qiaoqi; Shen, Yong; Wang, Zhengliang; Kuang, Daibin; Jiang, Long","Adaptive hydrogen-bonding strategy driven 0D manganese-based metal halides with multifunctional fluorescent applications.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","9032","9038","10.1039/d5dt00491h","","","1.34138","GaKα","","0.0429","0.04","","","0.1147","0.1168","","","","","","1.05","","","","has coordinates","300770","2025-07-06","15:32:12",""
"7718750","11.032","0.004","12.39","0.004","14.37","0.004","85.718","0.011","73.575","0.01","70.606","0.012","1776.7","1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Bi2 N O10 -","- C33 H23 Bi2 N O10 -","- C66 H46 Bi4 N2 O20 -","2","1","","Lin, Peng; Yang, Junpu; Sun, Weinan; Zhou, Xiaoyuan; Zhao, Fangbo; Lin, Jian","Emergence of a bismuth-based metal-organic framework as an X-ray scintillator.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9130","9134","10.1039/d5dt00965k","","","0.71073","MoKα","","0.059","0.0418","","","0.1007","0.108","","","","","","1.013","","","","has coordinates","300947","2025-07-06","16:53:22",""
"7718751","7.7479","0.0008","12.2056","0.0013","15.0826","0.0015","90","","90","","90","","1426.3","0.3","294","2","293.78","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C15 H16 I0.5 Mn0.5 N2 O -","- C15 H16 I0.5 Mn0.5 N2 O -","- C60 H64 I2 Mn2 N8 O4 -","4","1","","Zhao, Sheng-Ze; Chen, Li-Wen; Zhu, Hai; Zhang, Hao-Zhe; Liu, Chang; Qin, Chun-Yan; Wang, Hai-Ying; Li, Yong-Hua; Wang, Shi","Halogen bond-enhanced spin dynamics: investigating co-crystallization effects on spin crossover in mononuclear Mn(III) Schiff-base complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9405","9417","10.1039/d5dt00841g","","","0.71073","MoKα","","0.1246","0.0533","","","0.0841","0.1026","","","","","","1.058","","","","has coordinates","300936","2025-07-06","16:48:21",""
"7718752","7.8561","0.0004","22.0032","0.0011","18.1498","0.001","90","","100.826","0.002","90","","3081.5","0.3","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Br Mn N4 O2 -","- C30 H32 Br Mn N4 O2 -","- C120 H128 Br4 Mn4 N16 O8 -","4","1","","Zhao, Sheng-Ze; Chen, Li-Wen; Zhu, Hai; Zhang, Hao-Zhe; Liu, Chang; Qin, Chun-Yan; Wang, Hai-Ying; Li, Yong-Hua; Wang, Shi","Halogen bond-enhanced spin dynamics: investigating co-crystallization effects on spin crossover in mononuclear Mn(III) Schiff-base complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9405","9417","10.1039/d5dt00841g","","","0.71073","MoKα","","0.057","0.0474","","","0.146","0.1531","","","","","","1.079","","","","has coordinates","300936","2025-07-06","16:48:22",""
"7718753","40.712","0.003","15.1137","0.0011","26.766","0.0018","90","","90","","90","","16469","2","293.79","","293.79","","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C36 H32 Br F3 I3 Mn N4 O2 -","- C36 H32 Br F3 I3 Mn N4 O2 -","- C576 H512 Br16 F48 I48 Mn16 N64 O32 -","16","1","","Zhao, Sheng-Ze; Chen, Li-Wen; Zhu, Hai; Zhang, Hao-Zhe; Liu, Chang; Qin, Chun-Yan; Wang, Hai-Ying; Li, Yong-Hua; Wang, Shi","Halogen bond-enhanced spin dynamics: investigating co-crystallization effects on spin crossover in mononuclear Mn(III) Schiff-base complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9405","9417","10.1039/d5dt00841g","","","0.71073","MoKα","","0.0497","0.0387","","","0.0804","0.0866","","","","","","1.132","","","","has coordinates","300936","2025-07-06","16:48:22",""
"7718754","41.417","0.009","15.289","0.003","26.888","0.007","90","","90","","90","","17026","7","294.62","","294.62","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C36 H32 F3 I4 Mn N4 O2 -","- C36 H32 F3 I4 Mn N4 O2 -","- C576 H512 F48 I64 Mn16 N64 O32 -","16","1","","Zhao, Sheng-Ze; Chen, Li-Wen; Zhu, Hai; Zhang, Hao-Zhe; Liu, Chang; Qin, Chun-Yan; Wang, Hai-Ying; Li, Yong-Hua; Wang, Shi","Halogen bond-enhanced spin dynamics: investigating co-crystallization effects on spin crossover in mononuclear Mn(III) Schiff-base complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9405","9417","10.1039/d5dt00841g","","","0.71073","MoKα","","0.0712","0.0513","","","0.1457","0.1632","","","","","","1.035","","","","has coordinates","300936","2025-07-06","16:48:22",""
"7718755","11.168","0.004","18","0.007","25.217","0.009","90","","90.996","0.01","90","","5068","3","299.98","","299.98","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 Br F8 I6 Mn N5 O2 -","- C36 H29 Br F8 I6 Mn N5 O2 -","- C144 H116 Br4 F32 I24 Mn4 N20 O8 -","4","1","","Zhao, Sheng-Ze; Chen, Li-Wen; Zhu, Hai; Zhang, Hao-Zhe; Liu, Chang; Qin, Chun-Yan; Wang, Hai-Ying; Li, Yong-Hua; Wang, Shi","Halogen bond-enhanced spin dynamics: investigating co-crystallization effects on spin crossover in mononuclear Mn(III) Schiff-base complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9405","9417","10.1039/d5dt00841g","","","0.71073","MoKα","","0.1078","0.0591","","","0.1096","0.1252","","","","","","1.012","","","","has coordinates","300936","2025-07-06","16:48:22",""
"7718756","13.0332","0.001","15.6288","0.001","17.0389","0.0012","90","","112.015","0.008","90","","3217.6","0.4","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","LLi","","","- C39 H45 Li N2 -","- C39 H45 Li N2 -","- C156 H180 Li4 N8 -","4","1","","Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki","Impact of ether coordination on the solid-state luminescence of a lithium β-diketiminate complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9219","9225","10.1039/d5dt00954e","","","0.71075","MoKα","","0.0995","0.0556","","","0.1008","0.1144","","","","","","1.008","","","","has coordinates,has disorder","300948","2025-07-06","16:53:51",""
"7718757","8.6715","0.0003","12.0089","0.0003","18.3158","0.0006","87.453","0.006","84.286","0.006","81.445","0.006","1875.87","0.11","93","2","93","2","","","","","","","","5","P -1","-P 1","2","LLi_OEt","","","- C43 H55 Li N2 O -","- C43 H55 Li N2 O -","- C86 H110 Li2 N4 O2 -","2","1","","Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki","Impact of ether coordination on the solid-state luminescence of a lithium β-diketiminate complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9219","9225","10.1039/d5dt00954e","","","0.71075","MoKα","","0.0946","0.068","","","0.1636","0.2054","","","","","","1.11","","","","has coordinates","300948","2025-07-06","16:53:52",""
"7718758","8.625","0.003","12.085","0.005","18.367","0.007","84.102","0.018","82.022","0.013","81.11","0.015","1866.7","1.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H53 Li N2 O -","- C43 H53 Li N2 O -","- C86 H106 Li2 N4 O2 -","2","1","","Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki","Impact of ether coordination on the solid-state luminescence of a lithium β-diketiminate complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9219","9225","10.1039/d5dt00954e","","","0.71075","MoKα","","0.0813","0.0539","","","0.1222","0.1394","","","","","","0.932","","","","has coordinates","300948","2025-07-06","16:53:52",""
"7718759","26.271","0.006","26.271","0.006","12.344","0.003","90","","90","","90","","8519","3","143","2","143","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C47 H61 Li N2 O4 -","- C47 H61 Li N2 O4 -","- C376 H488 Li8 N16 O32 -","8","1","","Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki","Impact of ether coordination on the solid-state luminescence of a lithium β-diketiminate complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9219","9225","10.1039/d5dt00954e","","","0.71075","MoKα","","0.0847","0.075","","","0.1864","0.194","","","","","","1.113","","","","has coordinates,has disorder","300948","2025-07-06","16:53:52",""
"7718760","18.2215","0.0003","13.4869","0.0002","21.4452","0.0004","90","","90","","90","","5270.19","0.15","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H81 Cl2 Mn2 N14 O15 -","- C37 H81 Cl2 Mn2 N14 O15 -","- C148 H324 Cl8 Mn8 N56 O60 -","4","0.5","","Pospelov, Evgeny V.; Sinyushin, Kirill I.; Golovanov, Ivan S.; Lesnikov, Vladislav K.; Frolov, Kirill V.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu","Transition metal(IV) complexes of nitro-substituted 2,4,9-triazaadamantane-based tris-hydroxylamines: evidence for nitrogen α-effect on stabilization of higher oxidation states.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9530","9541","10.1039/d5dt00812c","","","0.71073","MoKα","","0.0795","0.0414","","","0.0805","0.0952","","","","","","1.012","","","","has coordinates,has disorder","300748","2025-07-06","15:22:58",""
"7718761","20.5159","0.0018","11.157","0.0009","25.254","0.002","90","","97.915","0.005","90","","5725.5","0.8","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H18.5 Cl1.5 N4 O5 -","- C10.5 H18.5 Cl1.5 N4 O5 -","- C168 H296 Cl24 N64 O80 -","16","2","","Pospelov, Evgeny V.; Sinyushin, Kirill I.; Golovanov, Ivan S.; Lesnikov, Vladislav K.; Frolov, Kirill V.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu","Transition metal(IV) complexes of nitro-substituted 2,4,9-triazaadamantane-based tris-hydroxylamines: evidence for nitrogen α-effect on stabilization of higher oxidation states.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9530","9541","10.1039/d5dt00812c","","","0.71073","MoKα","","0.1266","0.1017","","","0.2565","0.273","","","","","","1.114","","","","has coordinates,has disorder","300748","2025-07-06","15:22:59",""
"7718762","18.2038","0.0005","13.4923","0.0004","21.3344","0.0006","90","","90","","90","","5240","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H38 Cl Fe N7 O7 -","- C18 H38 Cl Fe N7 O7 -","- C144 H304 Cl8 Fe8 N56 O56 -","8","1","","Pospelov, Evgeny V.; Sinyushin, Kirill I.; Golovanov, Ivan S.; Lesnikov, Vladislav K.; Frolov, Kirill V.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu","Transition metal(IV) complexes of nitro-substituted 2,4,9-triazaadamantane-based tris-hydroxylamines: evidence for nitrogen α-effect on stabilization of higher oxidation states.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9530","9541","10.1039/d5dt00812c","","","0.71073","MoKα","","0.058","0.0393","","","0.0854","0.096","","","","","","1.04","","","","has coordinates","300748","2025-07-06","15:22:59",""
"7718763","10.25318","0.00006","10.89893","0.00007","16.74915","0.00012","90","","90","","90","","1871.7","0.02","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 B N4 O6 -","- C17 H25 B N4 O6 -","- C68 H100 B4 N16 O24 -","4","1","","Pospelov, Evgeny V.; Sinyushin, Kirill I.; Golovanov, Ivan S.; Lesnikov, Vladislav K.; Frolov, Kirill V.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu","Transition metal(IV) complexes of nitro-substituted 2,4,9-triazaadamantane-based tris-hydroxylamines: evidence for nitrogen α-effect on stabilization of higher oxidation states.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9530","9541","10.1039/d5dt00812c","","x-ray","1.54184","CuKα","","0.0308","0.0305","","","0.081","0.0814","","","","","","1.073","","","","has coordinates","300748","2025-07-06","15:22:59",""
"7718764","8.9221","0.0003","12.6921","0.0004","23.3835","0.0006","90","","97.97","0.002","90","","2622.37","0.14","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 B K N4 O8 -","- C19 H32 B K N4 O8 -","- C76 H128 B4 K4 N16 O32 -","4","1","","Pospelov, Evgeny V.; Sinyushin, Kirill I.; Golovanov, Ivan S.; Lesnikov, Vladislav K.; Frolov, Kirill V.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu","Transition metal(IV) complexes of nitro-substituted 2,4,9-triazaadamantane-based tris-hydroxylamines: evidence for nitrogen α-effect on stabilization of higher oxidation states.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9530","9541","10.1039/d5dt00812c","","","0.71073","MoKα","","0.08","0.0523","","","0.123","0.1417","","","","","","1.017","","","","has coordinates,has disorder","300748","2025-07-06","15:22:59",""
"7718765","18.3078","0.0001","13.5183","0.0001","21.2684","0.0002","90","","90","","90","","5263.72","0.07","99.97","0.12","99.97","0.12","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H78 Cl2 N14 Ni2 O15 -","- C36 H78 Cl2 N14 Ni2 O15 -","- C144 H312 Cl8 N56 Ni8 O60 -","4","0.5","","Pospelov, Evgeny V.; Sinyushin, Kirill I.; Golovanov, Ivan S.; Lesnikov, Vladislav K.; Frolov, Kirill V.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu","Transition metal(IV) complexes of nitro-substituted 2,4,9-triazaadamantane-based tris-hydroxylamines: evidence for nitrogen α-effect on stabilization of higher oxidation states.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9530","9541","10.1039/d5dt00812c","","x-ray","1.54184","CuKα","","0.0648","0.0641","","","0.1815","0.1818","","","","","","1.159","","","","has coordinates,has disorder","300748","2025-07-06","15:22:59",""
"7718766","8.0186","0.0002","9.6388","0.0002","17.5457","0.0004","89.976","0.002","80.246","0.002","88.488","0.002","1336.02","0.05","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 La2 N12 O24 P2 -","- C40 H46 La2 N12 O24 P2 -","- C40 H46 La2 N12 O24 P2 -","1","0.5","","Hou, Chuan-Bing; Guo, Gui-Xiong; Dai, Li-Xiong; Li, Ying-Yu; Wang, Lin-Lin; Song, Hui-Hua; Xin, Xiu-Lan; Han, Hong-Liang; Wang, Xue-Dong; Li, Xing-Ru; Jin, Qiong-Hua","Construction and characterization of rare earth complexes for efficient emission tuning by tetraethyl ethylenebisphosphonate and tridentate chelating nitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9594","9604","10.1039/d5dt00963d","","x-ray","1.54184","CuKα","","0.0368","0.0351","","","0.0954","0.0961","","","","","","1.047","","","","has coordinates","300747","2025-07-06","15:22:23",""
"7718767","8.0096","0.0001","9.6258","0.0001","17.4801","0.0001","89.85","0.001","80.377","0.001","88.51","0.001","1328.28","0.02","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 Ce2 N12 O24 P2 -","- C40 H46 Ce2 N12 O24 P2 -","- C40 H46 Ce2 N12 O24 P2 -","1","0.5","","Hou, Chuan-Bing; Guo, Gui-Xiong; Dai, Li-Xiong; Li, Ying-Yu; Wang, Lin-Lin; Song, Hui-Hua; Xin, Xiu-Lan; Han, Hong-Liang; Wang, Xue-Dong; Li, Xing-Ru; Jin, Qiong-Hua","Construction and characterization of rare earth complexes for efficient emission tuning by tetraethyl ethylenebisphosphonate and tridentate chelating nitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9594","9604","10.1039/d5dt00963d","","x-ray","1.54184","CuKα","","0.0362","0.0345","","","0.0899","0.091","","","","","","1.03","","","","has coordinates","300747","2025-07-06","15:22:24",""
"7718768","9.6148","0.0011","11.6122","0.0013","14.1943","0.0015","100.363","0.003","95.237","0.002","95.108","0.002","1543.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H48 Eu2 N18 O24 P2 -","- C46 H48 Eu2 N18 O24 P2 -","- C46 H48 Eu2 N18 O24 P2 -","1","0.5","","Hou, Chuan-Bing; Guo, Gui-Xiong; Dai, Li-Xiong; Li, Ying-Yu; Wang, Lin-Lin; Song, Hui-Hua; Xin, Xiu-Lan; Han, Hong-Liang; Wang, Xue-Dong; Li, Xing-Ru; Jin, Qiong-Hua","Construction and characterization of rare earth complexes for efficient emission tuning by tetraethyl ethylenebisphosphonate and tridentate chelating nitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9594","9604","10.1039/d5dt00963d","","","0.71073","MoKα","","0.099","0.0777","","","0.1993","0.2113","","","","","","1.078","","","","has coordinates,has disorder","300747","2025-07-06","15:22:24",""
"7718769","9.376","0.005","10.503","0.004","16.422","0.007","73.044","0.013","74.889","0.014","73.212","0.014","1453.2","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Gd2 N14 O24 P2 -","- C44 H52 Gd2 N14 O24 P2 -","- C44 H52 Gd2 N14 O24 P2 -","1","0.5","","Hou, Chuan-Bing; Guo, Gui-Xiong; Dai, Li-Xiong; Li, Ying-Yu; Wang, Lin-Lin; Song, Hui-Hua; Xin, Xiu-Lan; Han, Hong-Liang; Wang, Xue-Dong; Li, Xing-Ru; Jin, Qiong-Hua","Construction and characterization of rare earth complexes for efficient emission tuning by tetraethyl ethylenebisphosphonate and tridentate chelating nitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9594","9604","10.1039/d5dt00963d","","","0.71073","MoKα","","0.0621","0.0487","","","0.106","0.1144","","","","","","0.999","","","","has coordinates","300747","2025-07-06","15:22:24",""
"7718770","7.8991","0.0007","9.5356","0.0007","17.3697","0.0016","90.15","0.003","99.403","0.003","91.584","0.003","1290.23","0.19","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 N12 Nd2 O24 P2 -","- C40 H46 N12 Nd2 O24 P2 -","- C40 H46 N12 Nd2 O24 P2 -","1","0.5","","Hou, Chuan-Bing; Guo, Gui-Xiong; Dai, Li-Xiong; Li, Ying-Yu; Wang, Lin-Lin; Song, Hui-Hua; Xin, Xiu-Lan; Han, Hong-Liang; Wang, Xue-Dong; Li, Xing-Ru; Jin, Qiong-Hua","Construction and characterization of rare earth complexes for efficient emission tuning by tetraethyl ethylenebisphosphonate and tridentate chelating nitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9594","9604","10.1039/d5dt00963d","","","0.71073","MoKα","","0.0451","0.0291","","","0.0597","0.0687","","","","","","1.083","","","","has coordinates","300747","2025-07-06","15:22:24",""
"7718771","9.3937","0.0007","10.4936","0.0006","16.3878","0.0013","72.854","0.002","74.739","0.003","73.049","0.002","1448.52","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Dy2 N14 O24 P2 -","- C44 H52 Dy2 N14 O24 P2 -","- C44 H52 Dy2 N14 O24 P2 -","1","0.5","","Hou, Chuan-Bing; Guo, Gui-Xiong; Dai, Li-Xiong; Li, Ying-Yu; Wang, Lin-Lin; Song, Hui-Hua; Xin, Xiu-Lan; Han, Hong-Liang; Wang, Xue-Dong; Li, Xing-Ru; Jin, Qiong-Hua","Construction and characterization of rare earth complexes for efficient emission tuning by tetraethyl ethylenebisphosphonate and tridentate chelating nitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9594","9604","10.1039/d5dt00963d","","","0.71073","MoKα","","0.0322","0.0271","","","0.0593","0.0614","","","","","","1.027","","","","has coordinates","300747","2025-07-06","15:22:24",""
"7718772","8.0168","0.0003","9.6084","0.0003","17.2951","0.0004","89.591","0.002","80.617","0.002","88.51","0.003","1313.94","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 N12 O24 P2 Sm2 -","- C40 H46 N12 O24 P2 Sm2 -","- C40 H46 N12 O24 P2 Sm2 -","1","0.5","","Hou, Chuan-Bing; Guo, Gui-Xiong; Dai, Li-Xiong; Li, Ying-Yu; Wang, Lin-Lin; Song, Hui-Hua; Xin, Xiu-Lan; Han, Hong-Liang; Wang, Xue-Dong; Li, Xing-Ru; Jin, Qiong-Hua","Construction and characterization of rare earth complexes for efficient emission tuning by tetraethyl ethylenebisphosphonate and tridentate chelating nitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9594","9604","10.1039/d5dt00963d","","","1.54184","CuKα","","0.0431","0.0408","","","0.1041","0.1057","","","","","","0.856","","","","has coordinates","300747","2025-07-06","15:22:24",""
"7718773","7.8967","0.0004","9.5332","0.0006","17.4234","0.0011","90.258","0.002","99.405","0.002","91.483","0.002","1293.53","0.13","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 N12 O24 P2 Pr2 -","- C40 H46 N12 O24 P2 Pr2 -","- C40 H46 N12 O24 P2 Pr2 -","1","0.5","","Hou, Chuan-Bing; Guo, Gui-Xiong; Dai, Li-Xiong; Li, Ying-Yu; Wang, Lin-Lin; Song, Hui-Hua; Xin, Xiu-Lan; Han, Hong-Liang; Wang, Xue-Dong; Li, Xing-Ru; Jin, Qiong-Hua","Construction and characterization of rare earth complexes for efficient emission tuning by tetraethyl ethylenebisphosphonate and tridentate chelating nitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9594","9604","10.1039/d5dt00963d","","","0.71073","MoKα","","0.0667","0.0354","","","0.0765","0.094","","","","","","1.138","","","","has coordinates","300747","2025-07-06","15:22:24",""
"7718774","8.0121","0.0002","9.6106","0.0003","17.2655","0.0004","89.492","0.002","80.686","0.002","88.43","0.002","1311.43","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 Eu2 N12 O24 P2 -","- C40 H46 Eu2 N12 O24 P2 -","- C40 H46 Eu2 N12 O24 P2 -","1","0.5","","Hou, Chuan-Bing; Guo, Gui-Xiong; Dai, Li-Xiong; Li, Ying-Yu; Wang, Lin-Lin; Song, Hui-Hua; Xin, Xiu-Lan; Han, Hong-Liang; Wang, Xue-Dong; Li, Xing-Ru; Jin, Qiong-Hua","Construction and characterization of rare earth complexes for efficient emission tuning by tetraethyl ethylenebisphosphonate and tridentate chelating nitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9594","9604","10.1039/d5dt00963d","","","1.54184","CuKα","","0.0338","0.0313","","","0.0798","0.0805","","","","","","1.082","","","","has coordinates","300747","2025-07-06","15:22:24",""
"7718775","9.3859","0.0006","11.0236","0.0011","14.7571","0.0014","78.962","0.003","81.27","0.002","84.68","0.003","1478.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 N14 O24 P2 Tb2 -","- C44 H52 N14 O24 P2 Tb2 -","- C44 H52 N14 O24 P2 Tb2 -","1","0.5","","Hou, Chuan-Bing; Guo, Gui-Xiong; Dai, Li-Xiong; Li, Ying-Yu; Wang, Lin-Lin; Song, Hui-Hua; Xin, Xiu-Lan; Han, Hong-Liang; Wang, Xue-Dong; Li, Xing-Ru; Jin, Qiong-Hua","Construction and characterization of rare earth complexes for efficient emission tuning by tetraethyl ethylenebisphosphonate and tridentate chelating nitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9594","9604","10.1039/d5dt00963d","","","0.71073","MoKα","","0.0414","0.0322","","","0.0712","0.0752","","","","","","1.023","","","","has coordinates","300747","2025-07-06","15:22:24",""
"7718776","23.946","0.003","19.482","0.003","18.327","0.002","90","","90","","90","","8549.8","1.9","93","2","93","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C98 H78 Ag4 N16 Pd -","- C98 H78 Ag4 N16 Pd -","- C392 H312 Ag16 N64 Pd4 -","4","0.5","","Kinoshita, Kana; Yang, Yiming; Nagano, Shiho; Horiuchi, Shinnosuke; Nakao, Yoshihide; Omoto, Kenichiro; Sakuda, Eri; Arikawa, Yasuhiro; Umakoshi, Keisuke","Heteropolynuclear PdAg<sub>4</sub> complexes with self-assembled <i>trans</i>-chelating {(Ar<sub>2</sub>pz)<sub>3</sub>Ag<sub>2</sub>} units.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9140","9144","10.1039/d5dt01078k","","","0.71075","MoKα","","0.0561","0.0487","","","0.1078","0.1123","","","","","","1.19","","","","has coordinates","300943","2025-07-06","16:51:37",""
"7718777","22.207","0.006","23.351","0.005","36.8272","0.001","90","","90","","90","","19097","7","93","","93","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C104 H94 Ag4 Cl6 N12 Pd -","- C104 H94 Ag4 Cl6 N12 Pd -","- C832 H752 Ag32 Cl48 N96 Pd8 -","8","0.25","","Kinoshita, Kana; Yang, Yiming; Nagano, Shiho; Horiuchi, Shinnosuke; Nakao, Yoshihide; Omoto, Kenichiro; Sakuda, Eri; Arikawa, Yasuhiro; Umakoshi, Keisuke","Heteropolynuclear PdAg<sub>4</sub> complexes with self-assembled <i>trans</i>-chelating {(Ar<sub>2</sub>pz)<sub>3</sub>Ag<sub>2</sub>} units.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9140","9144","10.1039/d5dt01078k","","","0.71075","MoKα","","0.0715","0.0619","","","0.145","0.1508","","","","","","1.132","","","","has coordinates,has disorder","300943","2025-07-06","16:51:37",""
"7718778","12.188","0.0004","25.708","0.0008","12.8575","0.0004","90","","103.424","0.001","90","","3918.6","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H26 Cl3 Co F6 N5 O2 -","- C47 H26 Cl3 Co F6 N5 O2 -","- C188 H104 Cl12 Co4 F24 N20 O8 -","4","1","","Jangra, Reena; Nair, Amritha J.; Kuriakose, Albin; Acharyya, Jitendra Nath; Vijaya Prakash, G.; Sankar, Muniappan","Electron deficient <i>β</i>-trisubstituted porphyrins: synthesis, structural, spectral, and electrochemical studies and their intensity-dependent third-order nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10234","10245","10.1039/d5dt00618j","","","0.71073","MoKα","","0.0761","0.0506","","","0.1208","0.137","","","","","","1.021","","","","has coordinates,has disorder","300798","2025-07-06","15:44:14",""
"7718779","8.6529","0.0002","14.0895","0.0003","15.5838","0.0004","67.621","0.001","89.588","0.001","84.515","0.001","1747.89","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H25 F6 N5 Ni O2 -","- C46 H25 F6 N5 Ni O2 -","- C92 H50 F12 N10 Ni2 O4 -","2","1","","Jangra, Reena; Nair, Amritha J.; Kuriakose, Albin; Acharyya, Jitendra Nath; Vijaya Prakash, G.; Sankar, Muniappan","Electron deficient <i>β</i>-trisubstituted porphyrins: synthesis, structural, spectral, and electrochemical studies and their intensity-dependent third-order nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10234","10245","10.1039/d5dt00618j","","","0.71073","MoKα","","0.0637","0.0454","","","0.1119","0.1238","","","","","","1.04","","","","has coordinates","300798","2025-07-06","15:44:15",""
"7718780","12.226","0.0003","25.6553","0.0005","12.8763","0.0003","90","","103.539","0.001","90","","3926.57","0.15","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H26 Cl3 Cu F6 N5 O2 -","- C47 H26 Cl3 Cu F6 N5 O2 -","- C188 H104 Cl12 Cu4 F24 N20 O8 -","4","1","","Jangra, Reena; Nair, Amritha J.; Kuriakose, Albin; Acharyya, Jitendra Nath; Vijaya Prakash, G.; Sankar, Muniappan","Electron deficient <i>β</i>-trisubstituted porphyrins: synthesis, structural, spectral, and electrochemical studies and their intensity-dependent third-order nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10234","10245","10.1039/d5dt00618j","","","0.71073","MoKα","","0.0598","0.0484","","","0.1279","0.1369","","","","","","1.057","","","","has coordinates,has disorder","300798","2025-07-06","15:44:15",""
"7718781","13.2792","0.0004","16.8732","0.0006","26.4228","0.0008","90","","90","","90","","5920.4","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66 H69 N6 O8 S2 -","- C66 H68 N6 O8 S2 -","- C264 H272 N24 O32 S8 -","4","1","","Gorai, Tumpa; Lovitt, June I.; Twamley, Brendan; Luis, Ena T.; Gunnlaugsson, Thorfinnur","Hierarchical lanthanide-based self-assembly complexes that undergo reversible luminescent response to both temperature changes and chemical reactions within competitive media.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","10022","10029","10.1039/d5dt00831j","","x-ray","1.54178","CuKα","K-L~3~","0.0819","0.0582","","","0.1432","0.1566","","","","","","1.034","","","","has coordinates","300842","2025-07-06","16:12:02",""
"7718782","13.1792","0.0005","36.1412","0.0014","22.3025","0.0008","90","","89.9907","0.0019","90","","10623","0.7","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C103 H121 Cl3 Eu N9 O31 -","- C93 H81 Cl3 Eu N9 O21 -","- C372 H324 Cl12 Eu4 N36 O84 -","4","1","","Gorai, Tumpa; Lovitt, June I.; Twamley, Brendan; Luis, Ena T.; Gunnlaugsson, Thorfinnur","Hierarchical lanthanide-based self-assembly complexes that undergo reversible luminescent response to both temperature changes and chemical reactions within competitive media.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","10022","10029","10.1039/d5dt00831j","","x-ray","1.54178","CuKα","K-L~3~","0.1116","0.0742","","","0.1976","0.2313","","","","","","1.045","","","","has coordinates,has disorder","300842","2025-07-06","16:12:03",""
"7718783","12.173","0.002","17.814","0.003","25.973","0.005","90","","90","","90","","5632.2","1.7","100.01","","100.01","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33.65 H30.15 Cl0.7 N3.15 O4 -","- C33.65 H30.15 Cl0.7 N3.15 O4 -","- C269.2 H241.2 Cl5.6 N25.2 O32 -","8","2","","Gorai, Tumpa; Lovitt, June I.; Twamley, Brendan; Luis, Ena T.; Gunnlaugsson, Thorfinnur","Hierarchical lanthanide-based self-assembly complexes that undergo reversible luminescent response to both temperature changes and chemical reactions within competitive media.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","10022","10029","10.1039/d5dt00831j","","x-ray","1.54178","CuKα","K-L~3~","0.0369","0.0341","","","0.0864","0.0882","","","","","","1.048","","","","has coordinates,has disorder","300842","2025-07-06","16:12:03",""
"7718784","13.358","0.004","28.564","0.008","13.605","0.004","90","","101.078","0.01","90","","5094","3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H66.5 Fe2 Mg N3.5 O14 -","- C38 H66.5 Fe2 Mg N3.5 O14 -","- C152 H266 Fe8 Mg4 N14 O56 -","4","1","","Koshenskova, Kseniya A.; Tigai, Yana A.; Nebykov, Denis N.; Lagutina, Anastasia V.; Mokhov, Vladimir M.; Dolgushin, Fedor M.; Razvorotneva, Lada S.; Efimov, Nikolay N.; Babeshkin, Konstantin A.; Gogoleva, Natalia V.; Imshennik, Vladimir K.; Novichikhin, Sergey V.; Eremenko, Igor L.; Lutsenko, Irina A.","Trinuclear [FeIII2-Mg<sup>II</sup>] compounds with aminopyridines as precursors for supported CC bond hydrogenation catalysts at atmospheric pressure in a plug-flow reactor.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9329","9337","10.1039/d5dt00653h","","","0.71073","MoKα","","0.0689","0.0506","","","0.1101","0.1187","","","","","","1.045","","","","has coordinates,has disorder","300944","2025-07-06","16:51:58",""
"7718785","11.921","0.0004","22.5802","0.0008","17.504","0.0005","90","","105.541","0.002","90","","4539.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H62 Fe2 Mg N2 O14 -","- C35 H62 Fe2 Mg N2 O14 -","- C140 H248 Fe8 Mg4 N8 O56 -","4","1","","Koshenskova, Kseniya A.; Tigai, Yana A.; Nebykov, Denis N.; Lagutina, Anastasia V.; Mokhov, Vladimir M.; Dolgushin, Fedor M.; Razvorotneva, Lada S.; Efimov, Nikolay N.; Babeshkin, Konstantin A.; Gogoleva, Natalia V.; Imshennik, Vladimir K.; Novichikhin, Sergey V.; Eremenko, Igor L.; Lutsenko, Irina A.","Trinuclear [FeIII2-Mg<sup>II</sup>] compounds with aminopyridines as precursors for supported CC bond hydrogenation catalysts at atmospheric pressure in a plug-flow reactor.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9329","9337","10.1039/d5dt00653h","","","0.71073","MoKα","","0.0399","0.0317","","","0.0764","0.0819","","","","","","1.043","","","","has coordinates,has disorder","300944","2025-07-06","16:51:59",""
"7718786","8.3253","0.0004","12.4177","0.0007","15.2544","0.0007","90","","90","","90","","1577.02","0.14","150.01","","150.01","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H23 Cl2 Ga N2 -","- C11 H23 Cl2 Ga N2 -","- C44 H92 Cl8 Ga4 N8 -","4","1","","Pavard, Paul-Alexis; Pugliese, Eva; Coutancier, Damien; Albin, Valérie; Casaretto, Nicolas; Bourcier, Sophie; Lair, Virginie; Ringuede, Armelle; Auffrant, Audrey; Schneider, Nathanaelle","Relationship between molecular structures and thermogravimetric properties of gallium-amidinate based compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9770","9777","10.1039/d5dt00944h","","","0.71073","MoKα","","0.0346","0.0289","","","0.0675","0.0704","","","","","","1.039","","","","has coordinates,has disorder","300745","2025-07-06","15:21:25",""
"7718787","17.4124","0.0012","11.1782","0.0007","17.4213","0.0012","90","","113.121","0.002","90","","3118.5","0.4","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H23 Cl2 Ga N2 -","- C11 H23 Cl2 Ga N2 -","- C88 H184 Cl16 Ga8 N16 -","8","2","","Pavard, Paul-Alexis; Pugliese, Eva; Coutancier, Damien; Albin, Valérie; Casaretto, Nicolas; Bourcier, Sophie; Lair, Virginie; Ringuede, Armelle; Auffrant, Audrey; Schneider, Nathanaelle","Relationship between molecular structures and thermogravimetric properties of gallium-amidinate based compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9770","9777","10.1039/d5dt00944h","","","0.71069","MoKα","","0.059","0.0421","","","0.0845","0.095","","","","","","1.193","","","","has coordinates","300745","2025-07-06","15:21:26",""
"7718788","9.3337","0.0003","9.3337","0.0003","34.8997","0.0014","90","","90","","120","","2633.06","0.16","150","","150","","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C15 H33 Ga N2 -","- C15 H33 Ga N2 -","- C90 H198 Ga6 N12 -","6","1","","Pavard, Paul-Alexis; Pugliese, Eva; Coutancier, Damien; Albin, Valérie; Casaretto, Nicolas; Bourcier, Sophie; Lair, Virginie; Ringuede, Armelle; Auffrant, Audrey; Schneider, Nathanaelle","Relationship between molecular structures and thermogravimetric properties of gallium-amidinate based compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9770","9777","10.1039/d5dt00944h","","","0.71073","MoKα","","0.0672","0.0501","","","0.1023","0.1096","","","","","","1.095","","","","has coordinates,has disorder","300745","2025-07-06","15:21:26",""
"7718789","7.6891","0.0008","8.1001","0.0009","10.6545","0.0011","94.218","0.004","90.509","0.003","102.564","0.004","645.73","0.12","150.01","","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H17 Cl2 Ga N2 -","- C8 H17 Cl2 Ga N2 -","- C16 H34 Cl4 Ga2 N4 -","2","1","","Pavard, Paul-Alexis; Pugliese, Eva; Coutancier, Damien; Albin, Valérie; Casaretto, Nicolas; Bourcier, Sophie; Lair, Virginie; Ringuede, Armelle; Auffrant, Audrey; Schneider, Nathanaelle","Relationship between molecular structures and thermogravimetric properties of gallium-amidinate based compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9770","9777","10.1039/d5dt00944h","","","0.71073","MoKα","","0.0493","0.0384","","","0.0982","0.1031","","","","","","1.081","","","","has coordinates","300745","2025-07-06","15:21:26",""
"7718790","23.3191","0.0019","8.6098","0.0007","16.2694","0.0014","90","","127.008","0.003","90","","2608.4","0.4","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H46 Cl Ga N4 -","- C22 H46 Cl Ga N4 -","- C88 H184 Cl4 Ga4 N16 -","4","0.5","","Pavard, Paul-Alexis; Pugliese, Eva; Coutancier, Damien; Albin, Valérie; Casaretto, Nicolas; Bourcier, Sophie; Lair, Virginie; Ringuede, Armelle; Auffrant, Audrey; Schneider, Nathanaelle","Relationship between molecular structures and thermogravimetric properties of gallium-amidinate based compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9770","9777","10.1039/d5dt00944h","","","0.71073","MoKα","","0.037","0.0281","","","0.0688","0.0726","","","","","","1.046","","","","has coordinates","300745","2025-07-06","15:21:26",""
"7718791","11.5212","0.0007","12.8021","0.0008","14.1052","0.0009","90","","108.129","0.002","90","","1977.2","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H34 Cl Ga N4 -","- C16 H34 Cl Ga N4 -","- C64 H136 Cl4 Ga4 N16 -","4","0.5","","Pavard, Paul-Alexis; Pugliese, Eva; Coutancier, Damien; Albin, Valérie; Casaretto, Nicolas; Bourcier, Sophie; Lair, Virginie; Ringuede, Armelle; Auffrant, Audrey; Schneider, Nathanaelle","Relationship between molecular structures and thermogravimetric properties of gallium-amidinate based compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9770","9777","10.1039/d5dt00944h","","","0.71073","MoKα","","0.0302","0.0241","","","0.0598","0.0625","","","","","","1.028","","","","has coordinates","300745","2025-07-06","15:21:26",""
"7718792","8.8449","0.0017","15.075","0.003","9.2168","0.0018","90","","96.248","0.006","90","","1221.6","0.4","150","","150","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C20 H42 Cl Ga N4 -","- C20 H42 Cl Ga N4 -","- C40 H84 Cl2 Ga2 N8 -","2","1","","Pavard, Paul-Alexis; Pugliese, Eva; Coutancier, Damien; Albin, Valérie; Casaretto, Nicolas; Bourcier, Sophie; Lair, Virginie; Ringuede, Armelle; Auffrant, Audrey; Schneider, Nathanaelle","Relationship between molecular structures and thermogravimetric properties of gallium-amidinate based compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9770","9777","10.1039/d5dt00944h","","","0.71073","MoKα","","0.0828","0.068","","","0.1656","0.175","","","","","","1.106","","","","has coordinates","300745","2025-07-06","15:21:26",""
"7718793","9.3037","0.0007","9.3037","0.0007","17.0719","0.0014","90","","90","","120","","1279.75","0.17","149.99","","149.99","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C13 H27 Cl2 Ga N2 -","- C13 H27 Cl2 Ga N2 -","- C39 H81 Cl6 Ga3 N6 -","3","0.5","","Pavard, Paul-Alexis; Pugliese, Eva; Coutancier, Damien; Albin, Valérie; Casaretto, Nicolas; Bourcier, Sophie; Lair, Virginie; Ringuede, Armelle; Auffrant, Audrey; Schneider, Nathanaelle","Relationship between molecular structures and thermogravimetric properties of gallium-amidinate based compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9770","9777","10.1039/d5dt00944h","","","0.71073","MoKα","","0.0209","0.0197","","","0.0495","0.05","","","","","","1.065","","","","has coordinates","300745","2025-07-06","15:21:26",""
"7718794","11.13","0.0014","8.8553","0.0011","15.859","0.002","90","","99.543","0.004","90","","1541.4","0.3","149.99","","149.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H23 Cl2 Ga N2 -","- C11 H23 Cl2 Ga N2 -","- C44 H92 Cl8 Ga4 N8 -","4","1","","Pavard, Paul-Alexis; Pugliese, Eva; Coutancier, Damien; Albin, Valérie; Casaretto, Nicolas; Bourcier, Sophie; Lair, Virginie; Ringuede, Armelle; Auffrant, Audrey; Schneider, Nathanaelle","Relationship between molecular structures and thermogravimetric properties of gallium-amidinate based compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9770","9777","10.1039/d5dt00944h","","","0.71073","MoKα","","0.0775","0.0493","","","0.1346","0.1578","","","","","","1.07","","","","has coordinates","300745","2025-07-06","15:21:26",""
"7718795","14.282","0.0006","7.3356","0.0003","19.7031","0.0007","90","","90.101","0.001","90","","2064.23","0.14","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Cl5 I2 N2 Sb -","- C12 H14 Cl5 I2 N2 Sb -","- C48 H56 Cl20 I8 N8 Sb4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Antimony <i>vs.</i> bismuth: structural differences in Cat{[MCl<sub>5</sub>](I<sub>2</sub>)} halogen bond-linked supramolecular complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10294","10303","10.1039/d5dt00697j","","","0.71073","MoKα","","0.0593","0.0389","","","0.0687","0.0743","","","","","","1.039","","","","has coordinates","300792","2025-07-06","15:41:40",""
"7718796","15.3188","0.0004","14.2431","0.0003","9.9383","0.0003","90","","90","","90","","2168.41","0.1","220","","220","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H16 Cl5 I2 N2 Sb -","- C13 H16 Cl5 I2 N2 Sb -","- C52 H64 Cl20 I8 N8 Sb4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Antimony <i>vs.</i> bismuth: structural differences in Cat{[MCl<sub>5</sub>](I<sub>2</sub>)} halogen bond-linked supramolecular complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10294","10303","10.1039/d5dt00697j","","","0.71073","MoKα","","0.0378","0.0257","","","0.0478","0.0509","","","","","","1.039","","","","has coordinates","300792","2025-07-06","15:41:42",""
"7718797","7.3832","0.0004","14.2708","0.0007","19.6817","0.0009","90","","90","","90","","2073.75","0.18","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H14 Bi Cl5 I2 N2 -","- C12 H14 Bi Cl5 I2 N2 -","- C48 H56 Bi4 Cl20 I8 N8 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Antimony <i>vs.</i> bismuth: structural differences in Cat{[MCl<sub>5</sub>](I<sub>2</sub>)} halogen bond-linked supramolecular complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10294","10303","10.1039/d5dt00697j","","","1.54178","CuKα","","0.0459","0.041","","","0.1041","0.1083","","","","","","1.054","","","","has coordinates,has disorder","300792","2025-07-06","15:41:42",""
"7718798","14.3756","0.0003","18.7195","0.0004","8.2348","0.0002","90","","97.212","0.001","90","","2198.49","0.08","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Bi Cl5 I2 N2 -","- C13 H16 Bi Cl5 I2 N2 -","- C52 H64 Bi4 Cl20 I8 N8 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Antimony <i>vs.</i> bismuth: structural differences in Cat{[MCl<sub>5</sub>](I<sub>2</sub>)} halogen bond-linked supramolecular complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10294","10303","10.1039/d5dt00697j","","","0.71073","MoKα","","0.051","0.0343","","","0.0611","0.0651","","","","","","1.029","","","","has coordinates","300792","2025-07-06","15:41:42",""
"7718799","15.3811","0.0012","14.2816","0.0011","9.9869","0.0007","90","","90","","90","","2193.8","0.3","274","","274","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H16 Cl5 I2 N2 Sb -","- C13 H16 Cl5 I2 N2 Sb -","- C52 H64 Cl20 I8 N8 Sb4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Antimony <i>vs.</i> bismuth: structural differences in Cat{[MCl<sub>5</sub>](I<sub>2</sub>)} halogen bond-linked supramolecular complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10294","10303","10.1039/d5dt00697j","","","1.54178","CuKα","","0.0348","0.0288","","","0.0702","0.0733","","","","","","1.034","","","","has coordinates","300792","2025-07-06","15:41:42",""
"7718800","7.4735","0.0002","14.2835","0.0004","19.7322","0.0006","90","","90","","90","","2106.37","0.1","220","","220","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H14 Bi Cl5 I2 N2 -","- C12 H14 Bi Cl4.99 I2 N2 -","- C48 H56 Bi4 Cl19.96 I8 N8 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Antimony <i>vs.</i> bismuth: structural differences in Cat{[MCl<sub>5</sub>](I<sub>2</sub>)} halogen bond-linked supramolecular complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10294","10303","10.1039/d5dt00697j","","","0.71073","MoKα","","0.0379","0.0268","","","0.0531","0.0565","","","","","","1.047","","","","has coordinates,has disorder","300792","2025-07-06","15:41:42",""
"7718801","13.6935","0.0004","36.7469","0.0008","17.431","0.0004","90","","104.146","0.003","90","","8505.2","0.4","293","2","293","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C66 H139 Co6 N42 O116.5 P2 V2 W22 -","- C66 H78 Co6 N42 O116.5 P2 V1.798 W22.202 -","- C132 H156 Co12 N84 O233 P4 V3.596 W44.404 -","2","0.5","","Bai, Xiao-Yu; Yan, Pin-Fang; Zhou, Jiu-Lin; Lv, Yu; Wang, Ji-Lei; Mei, Hua; Xu, Yan","Photocatalyst based on a transition metal-Schiff base ligand and V-doped Kegging-type polyoxometalate for efficient and stable CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9914","9920","10.1039/d5dt01081k","","","0.71073","MoKα","","0.1005","0.0821","","","0.1788","0.1856","","","","","","1.142","","","","has coordinates,has disorder","300848","2025-07-06","16:14:16",""
"7718802","13.2589","0.0007","22.8458","0.0011","25.8955","0.0013","84.622","0.001","80.187","0.001","84.656","0.001","7671.4","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H105 B2 Fe5 N35 O109 W24 -","- C55 H65 B2 Fe5 N35 O109 W24 -","- C110 H130 B4 Fe10 N70 O218 W48 -","2","1","","Bai, Xiao-Yu; Yan, Pin-Fang; Zhou, Jiu-Lin; Lv, Yu; Wang, Ji-Lei; Mei, Hua; Xu, Yan","Photocatalyst based on a transition metal-Schiff base ligand and V-doped Kegging-type polyoxometalate for efficient and stable CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9914","9920","10.1039/d5dt01081k","","","0.71073","MoKα","","0.0843","0.049","","","0.116","0.1381","","","","","","1.029","","","","has coordinates","300848","2025-07-06","16:14:18",""
"7718803","17.4284","0.0002","17.4284","0.0002","17.4284","0.0002","90","","90","","90","","5293.86","0.11","99.95","0.13","99.95","0.13","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C64 H144 Al N4 O40 P W11 -","- Al0.9996 O40 P W11.0004 -","- Al1.9992 O80 P2 W22.0008 -","2","0.0208333","","Raabe, Jan-Christian; Chitnis, Saurabh S.; Poller, Maximilian J.","Synthesis and characterization of Al and Si substituted polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9483","9488","10.1039/d5dt00894h","","x-ray","0.71073","MoKα","","0.0784","0.0571","","","0.0929","0.1046","","","","","","1.052","","","","has coordinates,has disorder","300750","2025-07-06","15:23:48",""
"7718804","6.9873","0.0008","12.6813","0.0013","27.426","0.003","90","","90","","90","","2430.2","0.5","213","","213","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Al3 Cl10 Na O4 -","- C8 H16 Al3 Cl10 Na O4 -","- C32 H64 Al12 Cl40 Na4 O16 -","4","1","","Faden, Lara-Pauline; Bayarjargal, Lkhamsuren; Milman, Victor; Winkler, Björn; Feldmann, Claus","Crown-ether coordination compounds of zirconium, hafnium and scandium using metal nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9670","9678","10.1039/d5dt00968e","","","0.71073","MoKα","","0.098","0.0851","","","0.2513","0.2583","","","","","","1.033","","","","has coordinates","300754","2025-07-06","15:25:20",""
"7718805","19.413","0.009","11.237","0.003","21.092","0.007","90","","90","","90","","4601","3","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H24 Al Cl6 O6 Sc -","- C12 H24 Al Cl6 O6 Sc -","- C96 H192 Al8 Cl48 O48 Sc8 -","8","2","","Faden, Lara-Pauline; Bayarjargal, Lkhamsuren; Milman, Victor; Winkler, Björn; Feldmann, Claus","Crown-ether coordination compounds of zirconium, hafnium and scandium using metal nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9670","9678","10.1039/d5dt00968e","","","0.71073","MoKα","","0.0789","0.0417","","","0.076","0.0831","","","","","","0.837","","","","has coordinates,has disorder","300754","2025-07-06","15:25:21",""
"7718806","10.9975","0.0011","14.909","0.002","12.5159","0.0013","90","","102.438","0.008","90","","2004","0.4","293","","293","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H20 Al4 Cl18 Hf Na2 O5 -","- C10 H20 Al4 Cl18 Hf Na2 O5 -","- C20 H40 Al8 Cl36 Hf2 Na4 O10 -","2","1","","Faden, Lara-Pauline; Bayarjargal, Lkhamsuren; Milman, Victor; Winkler, Björn; Feldmann, Claus","Crown-ether coordination compounds of zirconium, hafnium and scandium using metal nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9670","9678","10.1039/d5dt00968e","","","0.71073","MoKα","","0.0896","0.0379","","","0.0717","0.0804","","","","","","0.816","","","","has coordinates,has disorder","300754","2025-07-06","15:25:21",""
"7718807","10.8277","0.0008","14.5595","0.0009","12.2538","0.0011","90","","102.298","0.007","90","","1887.4","0.3","100","","100.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H20 Al4 Cl18 Na2 O5 Zr -","- C10 H20 Al4 Cl18 Na2 O5 Zr -","- C20 H40 Al8 Cl36 Na4 O10 Zr2 -","2","1","","Faden, Lara-Pauline; Bayarjargal, Lkhamsuren; Milman, Victor; Winkler, Björn; Feldmann, Claus","Crown-ether coordination compounds of zirconium, hafnium and scandium using metal nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9670","9678","10.1039/d5dt00968e","","","0.71073","MoKα","","0.0656","0.0495","","","0.1252","0.1396","","","","","","1.094","","","","has coordinates","300754","2025-07-06","15:25:21",""
"7718808","6.827","0.003","7.757","0.004","13.338","0.006","81.106","0.007","83.918","0.008","86.476","0.008","693.2","0.6","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 Br N2 S -","- C15 H9 Br N2 S -","- C30 H18 Br2 N4 S2 -","2","1","","Alagöz, Tenzile; Genç Bilgiçli, Hayriye; Polat, Elif; Pişkin, Hasan; Tüzün, Burak; Günsel, Armağan; Erdoğmuş, Ali; Yaraşır, M Nilüfer; Bilgiçli, Ahmet T","Ag(I) induced H-type and Pd(II) induced J-type phthalocyanines to enhance PDT applications: synthesis, optical behaviors, photochemical/photophysical properties, and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","10052","10070","10.1039/d5dt00590f","","","0.71073","MoKα","","0.0806","0.0482","","","0.1165","0.132","","","","","","1.016","","","","has coordinates","300849","2025-07-06","16:14:27",""
"7718809","10.691","0.0006","13.2184","0.0008","27.5291","0.0015","94.734","0.002","95.397","0.002","108.591","0.002","3644.8","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C77 H117 B2 Li2 -","- C68 H96 B2 Li2 -","- C136 H192 B4 Li4 -","2","1","","Zacher, 3rd, Peter A; Unruh, Daniel K.; Daly, Scott R.","Synthesis of bulky hydride ligands: <i>m</i>-terphenylborohydride complexes with trivalent uranium and neodymium.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9135","9139","10.1039/d5dt01076d","","","0.71073","MoKα","","0.0796","0.0605","","","0.1481","0.1589","","","","","","1.025","","","","has coordinates,has disorder","300942","2025-07-06","16:51:08",""
"7718810","22.7381","0.0006","16.4819","0.0005","30.7694","0.001","90","","92.234","0.001","90","","11522.6","0.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C120 H186.58 B3 O4 U -","- C120 H186.576 B3 O4 U -","- C480 H746.304 B12 O16 U4 -","4","0.5","","Zacher, 3rd, Peter A; Unruh, Daniel K.; Daly, Scott R.","Synthesis of bulky hydride ligands: <i>m</i>-terphenylborohydride complexes with trivalent uranium and neodymium.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9135","9139","10.1039/d5dt01076d","","","0.71073","MoKα","","0.0319","0.0299","","","0.0698","0.0706","","","","","","1.154","","","","has coordinates,has disorder","300942","2025-07-06","16:51:08",""
"7718811","14.4185","0.0006","30.3781","0.0012","23.2224","0.0011","90","","96.375","0.002","90","","10108.7","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C110 H160 B3 Nd O2 -","- C110 H160 B3 Nd O2 -","- C440 H640 B12 Nd4 O8 -","4","1","","Zacher, 3rd, Peter A; Unruh, Daniel K.; Daly, Scott R.","Synthesis of bulky hydride ligands: <i>m</i>-terphenylborohydride complexes with trivalent uranium and neodymium.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9135","9139","10.1039/d5dt01076d","","","0.71073","MoKα","","0.036","0.0337","","","0.0739","0.075","","","","","","1.134","","","","has coordinates,has disorder","300942","2025-07-06","16:51:08",""
"7718812","14.425","0.0005","30.4588","0.0011","23.2285","0.0008","90","","96.237","0.001","90","","10145.5","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C110 H160 B3 O2 U -","- C110 H160 B3 O2 U -","- C440 H640 B12 O8 U4 -","4","1","","Zacher, 3rd, Peter A; Unruh, Daniel K.; Daly, Scott R.","Synthesis of bulky hydride ligands: <i>m</i>-terphenylborohydride complexes with trivalent uranium and neodymium.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9135","9139","10.1039/d5dt01076d","","","0.71073","MoKα","","0.0389","0.0313","","","0.0639","0.0663","","","","","","1.102","","","","has coordinates,has disorder","300942","2025-07-06","16:51:08",""
"7718813","9.04","0.00018","11.8822","0.0002","12.118","0.0003","70.687","0.002","79.653","0.002","81.9191","0.0016","1203.8","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H13 F18 N9 Ni O3 -","- C12 H12 F18 N9 Ni O3 -","- C24 H24 F36 N18 Ni2 O6 -","2","1","","Butrymowicz-Kubiak, A; Topolski, A.; Muzioł, T M; Szymańska, I B","Nickel complexes based on amidine for applications in gas-assisted methods and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2025","54","24","9651","9669","10.1039/d5dt00550g","","x-ray","1.54184","CuKα","","0.0421","0.0415","","","0.1168","0.1173","","","","","","0.999","","","","has coordinates,has disorder","300751","2025-07-06","15:23:58",""
"7718814","14.55269","0.00018","17.0818","0.0003","20.3355","0.0002","65.7564","0.0012","69.7158","0.0011","74.9477","0.0012","4282.56","0.11","99.98","0.1","99.98","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C91.25 H94 F6 N14 O0.25 P S -","- C91.25 H94 F6 N14 O0.25 P S -","- C182.5 H188 F12 N28 O0.5 P2 S2 -","2","1","","Alves, Filipe; Taarit, Inès; Guénée, Laure; Piguet, Claude","Self-assembled multidye-sensitized erbium single molecules for boosting energy transfer light upconversion in solution.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9937","9948","10.1039/d5dt00438a","","x-ray","1.54184","CuKα","","0.1079","0.0979","","","0.2832","0.294","","","","","","1.023","","","","has coordinates,has disorder","300847","2025-07-06","16:13:56",""
"7718815","12.9403","0.0002","15.244","0.0002","17.2158","0.0003","90","","109.783","0.0019","90","","3195.59","0.09","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H31 Cl Co N4 O6 -","- C37 H31 Cl Co N4 O6 -","- C148 H124 Cl4 Co4 N16 O24 -","4","1","","Halaš, Petr; Nemec, Ivan; Čižmár, Erik; Herchel, Radovan","Elucidation of the effects of <i>trans</i>/<i>cis</i>-isomerization of the cinnamate ligand on the structural, spectroscopic and magnetic properties of cobalt(II) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","10140","10149","10.1039/d5dt01004g","","x-ray","1.54184","CuKα","","0.0656","0.0594","","","0.1576","0.1609","","","","","","1.046","","","","has coordinates,has disorder","300851","2025-07-06","16:14:54",""
"7718816","14.541","0.0002","14.2475","0.0001","15.9176","0.0002","90","","107.679","0.001","90","","3141.95","0.06","100","0.11","100","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H31 Cl Co N4 O6 -","- C37 H31 Cl Co N4 O6 -","- C148 H124 Cl4 Co4 N16 O24 -","4","1","","Halaš, Petr; Nemec, Ivan; Čižmár, Erik; Herchel, Radovan","Elucidation of the effects of <i>trans</i>/<i>cis</i>-isomerization of the cinnamate ligand on the structural, spectroscopic and magnetic properties of cobalt(II) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","10140","10149","10.1039/d5dt01004g","","x-ray","1.54184","CuKα","","0.0359","0.0333","","","0.0837","0.0851","","","","","","1.036","","","","has coordinates","300851","2025-07-06","16:14:55",""
"7718817","25.7549","0.0019","27.8802","0.0019","28.4643","0.0018","108.206","0.004","92.582","0.004","98.523","0.004","19110","2","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C215.5 H249.5 F24 Fe4 N56.5 O72 S8 -","- C180 H131 Fe4 N48 O12 -","- C360 H262 Fe8 N96 O24 -","2","1","","Liu, Chang; Yang, Yang; Li, Xinyu; Wang, Jinfeng; Jing, Xu; Duan, Chunying","Construction of a metal-organic tetrahedral cage for boosting selective electrocatalytic reduction of nitrite to ammonium.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9930","9936","10.1039/d5dt00766f","","","1.34138","GaKα","","0.141","0.1128","","","0.3604","0.416","","","","","","1.033","","","","has coordinates","300852","2025-07-06","16:15:24",""
"7718818","18.6047","0.0011","24.1873","0.0015","14.9384","0.0009","90","","113.012","0.002","90","","6187.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H71 B N8 Ni2 O6 -","- C72 H71 B N8 Ni2 O6 -","- C288 H284 B4 N32 Ni8 O24 -","4","1","","Riediger, Thomas; Böhm, Maximilian; Kapiza, Michael; Stammler, Anja; Oldengott, Jan; Glaser, Thorsten","Modelling the binding of cytotoxic dinuclear nickel complexes to two neighboring phosphate esters of DNA using dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9984","9991","10.1039/d5dt00941c","","x-ray","0.71073","MoKα","","0.0508","0.0335","","","0.0794","0.0876","","","","","","1.008","","","","has coordinates","300844","2025-07-06","16:12:50",""
"7718819","18.6053","0.0008","24.5063","0.001","14.977","0.0007","90","","112.945","0.002","90","","6288.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H73 B N8 Ni2 O6 -","- C73 H73 B N8 Ni2 O6 -","- C292 H292 B4 N32 Ni8 O24 -","4","1","","Riediger, Thomas; Böhm, Maximilian; Kapiza, Michael; Stammler, Anja; Oldengott, Jan; Glaser, Thorsten","Modelling the binding of cytotoxic dinuclear nickel complexes to two neighboring phosphate esters of DNA using dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9984","9991","10.1039/d5dt00941c","","x-ray","0.71073","MoKα","","0.0571","0.041","","","0.0999","0.1102","","","","","","1.052","","","","has coordinates","300844","2025-07-06","16:12:50",""
"7718820","28.0695","0.0016","18.5034","0.001","19.4547","0.001","90","","132.839","0.002","90","","7409.2","0.7","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C68 H78 Cl3 N10 Nd O18.5 -","- C68 H78 Cl3 N10 Nd O18.5 -","- C272 H312 Cl12 N40 Nd4 O74 -","4","1","","Gerasimov, Mikhail A.; Koifman, Mikhail I.; Lanin, Leonid O.; Prizhilevskaya, Victoria R.; Kalle, Paulina; Yarenkov, Nikita R.; Zhuravleva, Vasilisa A.; Konopkina, Ekaterina A.; Gopin, Alexander V.; Evsiunina, Mariia V.; Borisova, Nataliya E.; Matveev, Petr I.","Combination of chlorinated cobalt dicarbollide with N,O-donor ligands in extraction systems for separating f-elements.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10327","10342","10.1039/d5dt01136a","","","0.71073","MoKα","","0.0533","0.0462","","","0.1075","0.1131","","","","","","1.036","","","","has coordinates,has disorder","300799","2025-07-06","15:44:42",""
"7718821","12.8218","0.0008","11.6485","0.0007","24.5579","0.0015","90","","91.658","0.002","90","","3666.3","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 Cl3 N4 Nd O14 -","- C32 H34 Cl3 N4 Nd O14 -","- C128 H136 Cl12 N16 Nd4 O56 -","4","0.5","","Gerasimov, Mikhail A.; Koifman, Mikhail I.; Lanin, Leonid O.; Prizhilevskaya, Victoria R.; Kalle, Paulina; Yarenkov, Nikita R.; Zhuravleva, Vasilisa A.; Konopkina, Ekaterina A.; Gopin, Alexander V.; Evsiunina, Mariia V.; Borisova, Nataliya E.; Matveev, Petr I.","Combination of chlorinated cobalt dicarbollide with N,O-donor ligands in extraction systems for separating f-elements.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10327","10342","10.1039/d5dt01136a","","","0.71073","MoKα","","0.0519","0.042","","","0.0793","0.0834","","","","","","1.059","","","","has coordinates,has disorder","300799","2025-07-06","15:44:44",""
"7718822","27.204","0.002","9.0489","0.0007","17.1607","0.0013","90","","124.976","0.002","90","","3461.4","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H32 B18 Cl6 Co Cs -","- C18 H32 B18 Cl6 Co Cs -","- C72 H128 B72 Cl24 Co4 Cs4 -","4","0.5","","Gerasimov, Mikhail A.; Koifman, Mikhail I.; Lanin, Leonid O.; Prizhilevskaya, Victoria R.; Kalle, Paulina; Yarenkov, Nikita R.; Zhuravleva, Vasilisa A.; Konopkina, Ekaterina A.; Gopin, Alexander V.; Evsiunina, Mariia V.; Borisova, Nataliya E.; Matveev, Petr I.","Combination of chlorinated cobalt dicarbollide with N,O-donor ligands in extraction systems for separating f-elements.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10327","10342","10.1039/d5dt01136a","","","1.54178","CuKα","","0.0513","0.0494","","","0.1264","0.1283","","","","","","1.056","","","","has coordinates,has disorder","300799","2025-07-06","15:44:44",""
"7718823","8.4141","0.0003","32.4906","0.0013","16.5009","0.0007","90","","102.391","0.001","90","","4405.9","0.3","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H38 Eu F3 N8 O13 -","- C41 H38 Eu F3 N8 O13 -","- C164 H152 Eu4 F12 N32 O52 -","4","1","","Gerasimov, Mikhail A.; Koifman, Mikhail I.; Lanin, Leonid O.; Prizhilevskaya, Victoria R.; Kalle, Paulina; Yarenkov, Nikita R.; Zhuravleva, Vasilisa A.; Konopkina, Ekaterina A.; Gopin, Alexander V.; Evsiunina, Mariia V.; Borisova, Nataliya E.; Matveev, Petr I.","Combination of chlorinated cobalt dicarbollide with N,O-donor ligands in extraction systems for separating f-elements.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10327","10342","10.1039/d5dt01136a","","","0.71073","MoKα","","0.0387","0.0336","","","0.0571","0.0584","","","","","","1.087","","","","has coordinates,has disorder","300799","2025-07-06","15:44:44",""
"7718824","9.6571","0.0002","14.7256","0.0004","18.3204","0.0005","83.282","0.001","75.448","0.001","86.179","0.001","2502.51","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H43 Cl3 Eu N4 O19 -","- C34 H43 Cl3 Eu N4 O19 -","- C68 H86 Cl6 Eu2 N8 O38 -","2","1","","Gerasimov, Mikhail A.; Koifman, Mikhail I.; Lanin, Leonid O.; Prizhilevskaya, Victoria R.; Kalle, Paulina; Yarenkov, Nikita R.; Zhuravleva, Vasilisa A.; Konopkina, Ekaterina A.; Gopin, Alexander V.; Evsiunina, Mariia V.; Borisova, Nataliya E.; Matveev, Petr I.","Combination of chlorinated cobalt dicarbollide with N,O-donor ligands in extraction systems for separating f-elements.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10327","10342","10.1039/d5dt01136a","","","0.71073","MoKα","","0.0466","0.038","","","0.0897","0.0935","","","","","","1.043","","","","has coordinates,has disorder","300799","2025-07-06","15:44:44",""
"7718825","7.8051","0.0003","8.1621","0.0003","16.1191","0.0007","84.849","0.002","77.258","0.002","64.212","0.001","901.82","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 I4 N4 O Zn -","- C6 H12 I4 N4 O Zn -","- C12 H24 I8 N8 O2 Zn2 -","2","1","","Cheng, Juan; Yi, Gangji; Long, Ying; Zhong, Qinglan; Zou, Guohong; Luan, Lindong; Lin, Zhien","Ligand substitution in organic-inorganic hybrid zinc iodides for second-harmonic generation.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10351","10357","10.1039/d5dt01058f","","","0.71073","MoKα","","0.0364","0.0294","","","0.0643","0.0679","","","","","","1.062","","","","has coordinates","300793","2025-07-06","15:42:16",""
"7718826","14.4475","0.0003","8.5738","0.0003","12.6506","0.0004","90","","112.904","0.001","90","","1443.48","0.08","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H9 I3 N4 Zn -","- C6 H9 I3 N4 Zn -","- C24 H36 I12 N16 Zn4 -","4","1","","Cheng, Juan; Yi, Gangji; Long, Ying; Zhong, Qinglan; Zou, Guohong; Luan, Lindong; Lin, Zhien","Ligand substitution in organic-inorganic hybrid zinc iodides for second-harmonic generation.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10351","10357","10.1039/d5dt01058f","","","0.71","MoKα","","0.021","0.0198","","","0.0434","0.0438","","","","","","1.046","","","","has coordinates","300793","2025-07-06","15:42:16",""
"7718827","9.4368","0.0005","12.6632","0.0007","15.0847","0.0008","78.004","0.002","84.54","0.002","70.98","0.002","1666.26","0.16","283","2","283","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 I2 N6 Zn -","- C9 H12 I2 N6 Zn -","- C36 H48 I8 N24 Zn4 -","4","2","","Cheng, Juan; Yi, Gangji; Long, Ying; Zhong, Qinglan; Zou, Guohong; Luan, Lindong; Lin, Zhien","Ligand substitution in organic-inorganic hybrid zinc iodides for second-harmonic generation.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10351","10357","10.1039/d5dt01058f","","x-ray","0.71073","MoKα","","0.0583","0.0326","","","0.0609","0.0717","","","","","","1.019","","","","has coordinates","300793","2025-07-06","15:42:16",""
"7718828","8.302","0.0003","18.1309","0.0007","8.5613","0.0003","90","","98.05","0.001","90","","1275.97","0.08","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 I2 N4 Zn -","- C6 H8 I2 N4 Zn -","- C24 H32 I8 N16 Zn4 -","4","1","","Cheng, Juan; Yi, Gangji; Long, Ying; Zhong, Qinglan; Zou, Guohong; Luan, Lindong; Lin, Zhien","Ligand substitution in organic-inorganic hybrid zinc iodides for second-harmonic generation.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10351","10357","10.1039/d5dt01058f","","x-ray","0.71073","MoKα","","0.0433","0.0292","","","0.06","0.0654","","","","","","1.041","","","","has coordinates","300793","2025-07-06","15:42:16",""
"7718829","24.2547","0.0015","8.0765","0.0005","21.6591","0.0012","90","","108.968","0.007","90","","4012.5","0.4","293","2","293","2","","","101.325","","","","Synthesis","5","C 1 2/c 1","-C 2yc","15","4-Phenylpyridine vanadyl-bis(acetylacetonate)","4-Phenylpyridine vanadyl-bis(acetylacetonate)","","- C21 H23 N O5 V -","- C21 H23 N O5 V -","- C168 H184 N8 O40 V8 -","8","1","","Drzeżdżon, Joanna; Białek, Marzena; Zappia, Stefania; Lopresti, Mattia; Palin, Luca; Jarzembska, Katarzyna N.; Kamiński, Radosław; Datta, Janusz","Nb(V), Ta(V), and V(IV) catalyst-driven development of temperature-responsive self-healing materials based on methyl methacrylate.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9901","9913","10.1039/d5dt01073j","","x-ray","0.71073","MoKα","","0.0901","0.0708","","","0.172","0.1873","","","","","","1.048","","","","has coordinates","300845","2025-07-06","16:13:06",""
"7718830","6.196","0.002","8.56","0.002","13.574","0.003","77.68","0.03","83.5","0.03","68.93","0.03","655.8","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H14 Cl3 N2 Nb O3 -","- C6 H14 Cl3 N2 Nb O3 -","- C12 H28 Cl6 N4 Nb2 O6 -","2","1","","Drzeżdżon, Joanna; Białek, Marzena; Zappia, Stefania; Lopresti, Mattia; Palin, Luca; Jarzembska, Katarzyna N.; Kamiński, Radosław; Datta, Janusz","Nb(V), Ta(V), and V(IV) catalyst-driven development of temperature-responsive self-healing materials based on methyl methacrylate.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9901","9913","10.1039/d5dt01073j","","x-ray","1.54184","CuKα","","0.0738","0.0635","","","0.1507","0.1638","","","","2.7921","2.7921","2.765","","","","has coordinates","300845","2025-07-06","16:13:07",""
"7718831","7.283","0.002","15.243","0.003","15.412","0.003","60.45","0.03","88.99","0.03","86.12","0.03","1484.8","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 Cl9 N2 Ta -","- C23 H22 Cl9 N2 Ta -","- C46 H44 Cl18 N4 Ta2 -","2","1","","Drzeżdżon, Joanna; Białek, Marzena; Zappia, Stefania; Lopresti, Mattia; Palin, Luca; Jarzembska, Katarzyna N.; Kamiński, Radosław; Datta, Janusz","Nb(V), Ta(V), and V(IV) catalyst-driven development of temperature-responsive self-healing materials based on methyl methacrylate.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9901","9913","10.1039/d5dt01073j","","x-ray","1.54184","CuKα","","0.0546","0.0412","","","0.1109","0.1207","","","","1.8699","1.8699","1.8029","","","","has coordinates","300845","2025-07-06","16:13:07",""
"7718832","16.306","0.003","7.5244","0.0013","18.238","0.004","90","","98.206","0.008","90","","2214.8","0.7","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H42 Cu2 N6 Na4 O26 -","- C34 H42 Cu2 N6 Na4 O26 -","- C68 H84 Cu4 N12 Na8 O52 -","2","1","","Kalinke, Lucas Hoffmann Greghi; Souza, Maria Clara Orioli Emidio; Romanholo, Pedro Victor Valadares; Souza, Jackson Junior Santos de; Roveda, Jr, Antonio Carlos; Machado, Sergio Antonio Spinola; Valdo, Ana Karoline Silva Mendanha; Martins, Felipe Terra; Rabelo, Renato; Cano, Joan; Lloret, Francesc; Julve, Miguel; Sgobbi, Livia Flório; Cangussu, Danielle","Dicopper(II) metallacyclophanes featuring acridine-based spacers: long-range magnetic coupling and selective catalytic oxidation of hydroquinone.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","10097","10110","10.1039/d5dt01037c","","","0.71073","MoKα","","0.168","0.0783","","","0.1563","0.1938","","","","","","0.998","","","","has coordinates,has disorder","300853","2025-07-06","16:15:51",""
"7718833","12.6818","0.0018","21.201","0.003","22.382","0.003","103.114","0.004","100.737","0.004","106.417","0.004","5416.1","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H168 Cu2 N10 O17 -","- C98 H168 Cu2 N10 O17 -","- C196 H336 Cu4 N20 O34 -","2","1","","Kalinke, Lucas Hoffmann Greghi; Souza, Maria Clara Orioli Emidio; Romanholo, Pedro Victor Valadares; Souza, Jackson Junior Santos de; Roveda, Jr, Antonio Carlos; Machado, Sergio Antonio Spinola; Valdo, Ana Karoline Silva Mendanha; Martins, Felipe Terra; Rabelo, Renato; Cano, Joan; Lloret, Francesc; Julve, Miguel; Sgobbi, Livia Flório; Cangussu, Danielle","Dicopper(II) metallacyclophanes featuring acridine-based spacers: long-range magnetic coupling and selective catalytic oxidation of hydroquinone.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","10097","10110","10.1039/d5dt01037c","","","0.71073","MoKα","","0.1032","0.0745","","","0.2054","0.2297","","","","","","1.054","","","","has coordinates","300853","2025-07-06","16:15:52",""
"7718834","11.148","0.0009","13.4176","0.0011","14.5317","0.0012","89.2213","0.0016","81.674","0.0016","72.4901","0.0015","2050","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C88.5 H73 Cl8 N8 O12 Zn4 -","- C88.5 H73 Cl8 N8 O12 Zn4 -","- C88.5 H73 Cl8 N8 O12 Zn4 -","1","0.5","","Mudarmah, Khalil; Abeydeera, Nalin; Chen, Guanyu; Jogadi, Wjdan; Krause, Jeanette A.; Budzik, Jonathan M.; Huang, Songping D.","Synthesis, structural characterization, and antimicrobial activity of Zn(cloxyquin)<sub>2</sub>: towards harnessing zinc intoxication and immune response restoration to combat <i>Staphylococcus aureus</i> and <i>Mycobacterium tuberculosis</i>.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9975","9983","10.1039/d4dt02895c","","","0.71073","MoKα","","0.0449","0.0307","","","0.0711","0.077","","","","","","1.011","","","","has coordinates,has disorder","300843","2025-07-06","16:12:20",""
"7718835","9.6556","0.0012","10.7004","0.0012","13.2591","0.0016","112.602","0.001","91.1","0.002","109.359","0.003","1176.2","0.2","100.15","","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C24 H18 Br Cl2 Fe Mn N2 O3 -","- C24 H18 Br Cl2 Fe Mn N2 O3 -","- C48 H36 Br2 Cl4 Fe2 Mn2 N4 O6 -","2","1","","Ghanwat, Pratiksha B.; Bora, Debashree; Pandya, Rinu; Vanka, Kumar; Saha, Biswajit; Sen, Sakya S.","Manganese(I)-catalyzed dehydrogenative borylation of terminal alkynes.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10426","10432","10.1039/d5dt00577a","","","0.71073","MoKα","","0.0841","0.0465","","","0.0963","0.1104","","","","","","1.025","","","","has coordinates","300796","2025-07-06","15:43:09",""
"7718836","27.0155","0.0003","27.0155","0.0003","27.0155","0.0003","90","","90","","90","","19716.9","0.4","173","","173","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C30 H12 F4 N12 O15 Yb3 -","- C30 H12 F4 N12 O15 Yb3 -","- C240 H96 F32 N96 O120 Yb24 -","8","0.0416667","","Du, Guo-Tong; Guo, Xin-Ai; Liu, Teng-Long; Li, Hong-Xin; Ma, Ya-Nan; Xue, Dong-Xu","Isostructural rare-earth metal-organic frameworks for enhanced MTO product separation and efficient methane storage.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","10120","10127","10.1039/d5dt00971e","","","1.54178","CuKα","","0.0493","0.0455","","","0.1282","0.1317","","","","","","1.107","","","","has coordinates","300855","2025-07-06","16:16:22",""
"7718837","13.105","0.0002","20.1498","0.0003","27.2687","0.0003","90","","90","","90","","7200.66","0.17","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C9.29 H9.03 B0.13 F3.1 Ir0.13 N0.39 O0.13 P0.13 -","- C9.29032 H9.03226 B0.129032 F3.09677 Ir0.129032 N0.387097 O0.129032 P0.129032 -","- C288 H280 B4 F96 Ir4 N12 O4 P4 -","31","7.75","","Wen, Yisong; Cabré, Albert; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier","Chiral CNN pincer Ir(III)-H complexes. Transient ligand and counterion influences in the asymmetric hydrogenation of imines and quinolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10246","10253","10.1039/d5dt00667h","","","0.71075","MoKα","","0.0323","0.0282","","","0.0661","0.0673","","","","","","1.048","","","","has coordinates,has disorder","300797","2025-07-06","15:43:48",""
"7718838","13.52384","0.00016","14.17502","0.00016","28.9261","0.0003","99.845","0.001","90.5121","0.001","93.7691","0.001","5450.53","0.11","100","","100","","","","","","","","","8","P 1","P 1","1","","","","- C218 H209 B3 F72 Ir3 N9 O3.5 P3 -","- C218 H209 B3 F72 Ir3 N9 O3.5 P3 -","- C218 H209 B3 F72 Ir3 N9 O3.5 P3 -","1","1","","Wen, Yisong; Cabré, Albert; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier","Chiral CNN pincer Ir(III)-H complexes. Transient ligand and counterion influences in the asymmetric hydrogenation of imines and quinolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10246","10253","10.1039/d5dt00667h","","x-ray","0.71073","MoKα","","0.0555","0.0468","","","0.1107","0.1134","","","","","","1.022","","","","has coordinates,has disorder","300797","2025-07-06","15:43:48",""
"7718839","10.404","0.0005","17.6293","0.0007","18.7104","0.0009","76.661","0.003","86.494","0.004","73.816","0.004","3206.8","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H29 F6 N3 O2 -","- C41 H29 F6 N3 O2 -","- C164 H116 F24 N12 O8 -","4","2","","Deuter, Katharina L.; Vollmar, Katharina; Rieser, Jan; Linseis, Michael; Winter, Rainer F.","The influence of charge transfer on the emissive properties of pyridine dipyrrolide bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9921","9929","10.1039/d5dt00869g","","x-ray","0.71073","MoKα","","0.134","0.0482","","","0.0855","0.1064","","","","","","0.877","","","","has coordinates,has disorder","300841","2025-07-06","16:11:33",""
"7718840","18.808","0.002","15.4878","0.001","26.517","0.003","90","","110.743","0.009","90","","7223.6","1.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H37 Cl2 N3 O4 -","- C42 H37 Cl2 N3 O4 -","- C336 H296 Cl16 N24 O32 -","8","1","","Deuter, Katharina L.; Vollmar, Katharina; Rieser, Jan; Linseis, Michael; Winter, Rainer F.","The influence of charge transfer on the emissive properties of pyridine dipyrrolide bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9921","9929","10.1039/d5dt00869g","","x-ray","0.71073","MoKα","","0.0685","0.049","","","0.1214","0.135","","","","","","1.042","","","","has coordinates","300841","2025-07-06","16:11:34",""
"7718841","10.3023","0.0017","14.407","0.003","14.548","0.004","95.508","0.019","102.622","0.018","104.342","0.014","2015.5","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H29 Bi Br F12 N3 O -","- C45 H29 Bi Br F12 N3 O -","- C90 H58 Bi2 Br2 F24 N6 O2 -","2","1","","Deuter, Katharina L.; Vollmar, Katharina; Rieser, Jan; Linseis, Michael; Winter, Rainer F.","The influence of charge transfer on the emissive properties of pyridine dipyrrolide bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9921","9929","10.1039/d5dt00869g","","x-ray","0.71073","MoKα","","0.0341","0.0271","","","0.0581","0.0641","","","","","","1.041","","","","has coordinates","300841","2025-07-06","16:11:34",""
"7718842","25.6962","0.0013","17.1867","0.0008","17.4886","0.0009","90","","108.385","0.004","90","","7329.3","0.7","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H26 F12 N3 -","- C44 H26 F12 N3 -","- C352 H208 F96 N24 -","8","1","","Deuter, Katharina L.; Vollmar, Katharina; Rieser, Jan; Linseis, Michael; Winter, Rainer F.","The influence of charge transfer on the emissive properties of pyridine dipyrrolide bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9921","9929","10.1039/d5dt00869g","","x-ray","0.71073","MoKα","","0.1949","0.0787","","","0.1798","0.2405","","","","","","1.015","","","","has coordinates,has disorder","300841","2025-07-06","16:11:34",""
"7718843","15.138","0.003","15.4845","0.0018","18.698","0.002","94.7","0.009","97.835","0.013","98.35","0.013","4272.7","1.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H62 Cl12 F12 N6 O4 -","- C83 H59 Cl3 F12 N6 O4 -","- C166 H118 Cl6 F24 N12 O8 -","2","1","","Deuter, Katharina L.; Vollmar, Katharina; Rieser, Jan; Linseis, Michael; Winter, Rainer F.","The influence of charge transfer on the emissive properties of pyridine dipyrrolide bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9921","9929","10.1039/d5dt00869g","","x-ray","0.71073","MoKα","","0.1419","0.073","","","0.1875","0.2226","","","","","","0.974","","","","has coordinates,has disorder","300841","2025-07-06","16:11:34",""
"7718844","13.4323","0.0005","16.9364","0.0006","17.9664","0.0006","95.724","0.003","110.728","0.003","104.28","0.003","3624.8","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C83 H56 Bi2 Br2 F12 N6 O4.25 -","- C83 H56 Bi2 Br2 F12 N6 O4.25 -","- C166 H112 Bi4 Br4 F24 N12 O8.5 -","2","1","","Deuter, Katharina L.; Vollmar, Katharina; Rieser, Jan; Linseis, Michael; Winter, Rainer F.","The influence of charge transfer on the emissive properties of pyridine dipyrrolide bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9921","9929","10.1039/d5dt00869g","","x-ray","0.71073","MoKα","","0.1244","0.1003","","","0.2726","0.3018","","","","","","1.1953","","","","has coordinates,has disorder","300841","2025-07-06","16:11:34",""
"7718845","12.7889","0.0013","20.0668","0.0014","14.4403","0.0012","90","","115.743","0.011","90","","3338","0.6","228","8","227.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H25.25 Au2 Cl3 F6 N7.75 P -","- C21 H20 Au2 Cl3 F6 N6 P -","- C84 H80 Au8 Cl12 F24 N24 P4 -","4","1","","Sahu, Priyanka; Jana, Narayan Ch; Das, Ananya; Chatterjee, Nabanita; Gach-Janczak, Katarzyna; Dinda, Joydev","Mitochondria-mediated anti-proliferation of triple-negative breast cancer cells by Pd(II)-, Pt(II)-, and Au(III)-NHC complexes of NCN pincers.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","10003","10021","10.1039/d5dt00471c","","","0.71073","MoKα","","0.0993","0.06","","","0.1542","0.1686","","","","","","1.067","","","","has coordinates","300850","2025-07-06","16:14:41",""
"7718846","24.0097","0.001","7.9195","0.0003","28.7829","0.0012","90","","110.749","0.005","90","","5118","0.4","100","0.1","100","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C23 H24.5 Cl F6 N6.25 O0.38 P Pd -","- C23 H24.5 Cl F6 N6.25 O0.375 P Pd -","- C184 H196 Cl8 F48 N50 O3 P8 Pd8 -","8","1","","Sahu, Priyanka; Jana, Narayan Ch; Das, Ananya; Chatterjee, Nabanita; Gach-Janczak, Katarzyna; Dinda, Joydev","Mitochondria-mediated anti-proliferation of triple-negative breast cancer cells by Pd(II)-, Pt(II)-, and Au(III)-NHC complexes of NCN pincers.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","10003","10021","10.1039/d5dt00471c","","","0.71073","MoKα","","0.0371","0.0339","","","0.0834","0.0849","","","","","","1.06","","","","has coordinates,has disorder","300850","2025-07-06","16:14:42",""
"7718847","12.7618","0.0003","15.3419","0.0005","19.2417","0.0005","90","","97.26","0.002","90","","3737.13","0.18","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 F6 N O3 P3 Re -","- C38 H37 F6 N O3 P3 Re -","- C152 H148 F24 N4 O12 P12 Re4 -","4","1","","Seidel, Florian O.; O'Brien, Michael J; Hampel, Frank; Gladysz, John A.","Syntheses and structures of chiral rhenium-containing phosphonium salts and phosphines with ReCH<sub>2</sub>P̈Ar<sub>2</sub> or ReCH(R)P̈Ar<sub>2</sub> linkages; enantioselective catalysis of intramolecular Morita-Baylis-Hillman and Rauhut-Currier reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","10071","10084","10.1039/d5dt01102g","","","0.71073","MoKα","","0.0712","0.0383","","","0.0798","0.0906","","","","","","0.992","","","","has coordinates","300854","2025-07-06","16:16:05",""
"7718848","11.8461","0.0001","16.0448","0.0001","21.0727","0.0002","90","","91.033","0.001","90","","4004.6","0.06","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H43 F6 N3 O P3 Re -","- C40 H43 F6 N3 O P3 Re -","- C160 H172 F24 N12 O4 P12 Re4 -","4","1","","Seidel, Florian O.; O'Brien, Michael J; Hampel, Frank; Gladysz, John A.","Syntheses and structures of chiral rhenium-containing phosphonium salts and phosphines with ReCH<sub>2</sub>P̈Ar<sub>2</sub> or ReCH(R)P̈Ar<sub>2</sub> linkages; enantioselective catalysis of intramolecular Morita-Baylis-Hillman and Rauhut-Currier reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","10071","10084","10.1039/d5dt01102g","","","0.71073","MoKα","","0.0268","0.0206","","","0.049","0.0514","","","","","","1.035","","","","has coordinates","300854","2025-07-06","16:16:06",""
"7718849","40.1819","0.0019","9.2877","0.0005","21.761","0.0009","90","","110.464","0.002","90","","7608.6","0.6","200","2","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 Mo2 N8 O8 S4 -","- C28 H40 Mo2 N8 O8 S4 -","- C224 H320 Mo16 N64 O64 S32 -","8","1","","Buils, Jordi; Calancea, Sergiu; Bouaouni, Yasmine; AlChamandi, Roa; Laurans, Maxime; Cebotari, Diana; Marrot, Jérôme; Frégnaux, Mathieu; Gulea, Aurelian; Segado-Centellas, Mireia; Bo, Carles; Floquet, Sébastien","Hydrogen evolution reaction evidenced for Mo<sub>2</sub>O<sub>2</sub>S<sub>2</sub>-thiosemicarbazone coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10381","10395","10.1039/d5dt00399g","","","0.71073","MoKα","","0.0518","0.0302","","","0.0632","0.0743","","","","","","1.085","","","","has coordinates,has disorder","300795","2025-07-06","15:42:58",""
"7718850","11.0074","0.0006","15.0503","0.0009","11.45","0.0006","90","","96.275","0.002","90","","1885.5","0.18","102","","102","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Fe2 N4 O6 -","- C46 H42 Fe2 N4 O6 -","- C92 H84 Fe4 N8 O12 -","2","0.5","","Shutilov, Ilia D.; Volodin, Pavel A.; Ovsyannikov, Alexander S.; Pyataev, Andrew V.; Frantsuzova, Lyubov V.; Gerasimova, Daria P.; Khamatgalimov, Ayrat R.; Solovieva, Svetlana E.; Antipin, Igor S.","Intermolecular π-stacking stabilization of a new high-M/L-ratio coordination motif for a dinuclear Fe(III) complex supported by a ""salen-type"" Schiff base derivative of <i>o</i>-xylylenediamine.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10222","10226","10.1039/d5dt00856e","","x-ray","0.71073","MoKα","","0.0779","0.0586","","","0.1245","0.1324","","","","","","1.1","","","","has coordinates","300794","2025-07-06","15:42:40",""
"7718851","12.8712","0.0007","8.7624","0.0005","23.8209","0.0013","90","","104.649","0.002","90","","2599.3","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 Cl6 Fe2 N4 O10 -","- C52 H52 Cl6 Fe2 N4 O10 -","- C104 H104 Cl12 Fe4 N8 O20 -","2","0.5","","Shutilov, Ilia D.; Volodin, Pavel A.; Ovsyannikov, Alexander S.; Pyataev, Andrew V.; Frantsuzova, Lyubov V.; Gerasimova, Daria P.; Khamatgalimov, Ayrat R.; Solovieva, Svetlana E.; Antipin, Igor S.","Intermolecular π-stacking stabilization of a new high-M/L-ratio coordination motif for a dinuclear Fe(III) complex supported by a ""salen-type"" Schiff base derivative of <i>o</i>-xylylenediamine.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10222","10226","10.1039/d5dt00856e","","x-ray","0.71073","MoKα","","0.0436","0.0423","","","0.0976","0.0983","","","","","","1.146","","","","has coordinates","300794","2025-07-06","15:42:40",""
"7718852","11.9195","0.0013","13.4258","0.0014","12.5162","0.0013","90","","110.849","0.003","90","","1871.8","0.3","150","","150","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C28 H32 Br2 Cl2 Fe2 N2 O8 -","- C28 H32 Br2 Cl2 Fe2 N2 O8 -","- C56 H64 Br4 Cl4 Fe4 N4 O16 -","2","0.5","","Shutilov, Ilia D.; Volodin, Pavel A.; Ovsyannikov, Alexander S.; Pyataev, Andrew V.; Frantsuzova, Lyubov V.; Gerasimova, Daria P.; Khamatgalimov, Ayrat R.; Solovieva, Svetlana E.; Antipin, Igor S.","Intermolecular π-stacking stabilization of a new high-M/L-ratio coordination motif for a dinuclear Fe(III) complex supported by a ""salen-type"" Schiff base derivative of <i>o</i>-xylylenediamine.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10222","10226","10.1039/d5dt00856e","","x-ray","0.71073","MoKα","","0.0609","0.0506","","","0.1239","0.1298","","","","","","1.067","","","","has coordinates","300794","2025-07-06","15:42:40",""
"7718853","13.3196","0.0012","7.1596","0.0006","28.319","0.002","90","","95.339","0.008","90","","2688.9","0.4","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 N2 O6 -","- C32 H34 N2 O6 -","- C128 H136 N8 O24 -","4","1","","Jana, Narayan Ch; Čižmár, Erik; Brandão, Paula; Pramanik, Kuheli; Panja, Anangamohan","Experimental and theoretical insights into magnetic exchange and anisotropy in multinuclear cobalt complexes displaying slow relaxation.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10403","10415","10.1039/d5dt01197c","","x-ray","0.71073","MoKα","","0.0934","0.0547","","","0.1302","0.1471","","","","","","1.045","","","","has coordinates","300791","2025-07-06","15:41:07",""
"7718854","10.281","0.007","16.08","0.011","20.016","0.013","90","","92.053","0.017","90","","3307","4","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66.5 H63.5 Co4 N6 O14 S2 -","- C66.5 H63.5 Co4 N6 O14 S2 -","- C133 H127 Co8 N12 O28 S4 -","2","0.5","","Jana, Narayan Ch; Čižmár, Erik; Brandão, Paula; Pramanik, Kuheli; Panja, Anangamohan","Experimental and theoretical insights into magnetic exchange and anisotropy in multinuclear cobalt complexes displaying slow relaxation.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10403","10415","10.1039/d5dt01197c","","","0.71076","MoKα","","0.0518","0.0353","","","0.0799","0.0892","","","","","","1.082","","","","has coordinates","300791","2025-07-06","15:41:07",""
"7718855","27.8412","0.0008","27.8412","0.0008","10.6569","0.0002","90","","90","","120","","7153.8","0.3","150","2","150.05","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C96 H90 Co7 N8 O24 -","- C96 H90 Co7 N7.9998 O23.9994 -","- C288 H270 Co21 N23.9994 O71.9982 -","3","0.166667","","Jana, Narayan Ch; Čižmár, Erik; Brandão, Paula; Pramanik, Kuheli; Panja, Anangamohan","Experimental and theoretical insights into magnetic exchange and anisotropy in multinuclear cobalt complexes displaying slow relaxation.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10403","10415","10.1039/d5dt01197c","","","0.71073","MoKα","","0.0733","0.0588","","","0.1974","0.2256","","","","","","1.099","","","","has coordinates,has disorder","300791","2025-07-06","15:41:07",""
"7718856","15.2081","0.0019","24.307","0.002","17.027","0.002","90","","90.524","0.004","90","","6294","1.2","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H71 Co4 N4 O17.5 -","- C64 H71 Co4 N4 O17.5 -","- C256 H284 Co16 N16 O70 -","4","1","","Jana, Narayan Ch; Čižmár, Erik; Brandão, Paula; Pramanik, Kuheli; Panja, Anangamohan","Experimental and theoretical insights into magnetic exchange and anisotropy in multinuclear cobalt complexes displaying slow relaxation.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10403","10415","10.1039/d5dt01197c","","","0.71073","MoKα","","0.0584","0.0447","","","0.1092","0.1191","","","","","","1.056","","","","has coordinates","300791","2025-07-06","15:41:07",""
"7718857","16.2005","0.0002","19.0929","0.0004","19.6816","0.0003","90","","95.706","0.001","90","","6057.64","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 Cu4 Mo8 N8 O30 -","- C48 H60 Cu4 Mo8 N8 O30 -","- C192 H240 Cu16 Mo32 N32 O120 -","4","1","","Zhang, Hui; Ren, Zhujuan; Yu, Jiaying; Wang, Kuaibing; Mao, Feifei; Wu, Hua","Crown ether-based hamburger POMOF combined with polypyrrole as a highly reversible lithium-ion battery anode material.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10280","10293","10.1039/d5dt00584a","","","0.71073","MoKα","","0.0718","0.0342","","","0.0616","0.0654","","","","","","0.791","","","","has coordinates","300800","2025-07-06","15:45:08",""
"7718858","9.159","0.003","9.8098","0.0018","14.115","0.003","88.987","0.01","75.985","0.019","75.957","0.014","1192.5","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H43.92 Ge Mn P4 -","- C16.004 H43.818 Ge1.001 Mn P4 -","- C32.008 H87.636 Ge2.002 Mn2 P8 -","2","1","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene complexes: reactivity with dihydrogen, isonitriles, and dinitrogen.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9949","9968","10.1039/d5dt01025j","","","0.71073","MoKα","","0.0667","0.0424","","","0.1254","0.1322","","","","","","1.15","","","","has coordinates,has disorder","300846","2025-07-06","16:13:36",""
"7718859","9.255","0.003","9.797","0.004","19.964","0.005","76.88","0.02","87.088","0.011","68.91","0.03","1643.9","1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H52 Ge Mn N P4 -","- C29 H52 Ge Mn N P4 -","- C58 H104 Ge2 Mn2 N2 P8 -","2","1","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene complexes: reactivity with dihydrogen, isonitriles, and dinitrogen.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9949","9968","10.1039/d5dt01025j","","","0.71073","MoKα","","0.0601","0.0483","","","0.1134","0.1181","","","","","","1.028","","","","has coordinates","300846","2025-07-06","16:13:39",""
"7718860","10.896","0.004","15.146","0.004","23.533","0.007","93.122","0.018","98.196","0.019","101.38","0.03","3755","2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H56 Ge Mn N P4 -","- C36.5 H56 Ge Mn N P4 -","- C146 H224 Ge4 Mn4 N4 P16 -","4","2","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene complexes: reactivity with dihydrogen, isonitriles, and dinitrogen.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9949","9968","10.1039/d5dt01025j","","","0.71073","MoKα","","0.0825","0.0541","","","0.1359","0.1493","","","","","","1.059","","","","has coordinates,has disorder","300846","2025-07-06","16:13:40",""
"7718861","11.946","0.009","12.95","0.008","17.304","0.013","90","","108.69","0.03","90","","2536","3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H42 Mn N P4 -","- C21 H42 Mn N P4 -","- C84 H168 Mn4 N4 P16 -","4","1","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene complexes: reactivity with dihydrogen, isonitriles, and dinitrogen.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9949","9968","10.1039/d5dt01025j","","","0.71073","MoKα","","0.1217","0.061","","","0.1366","0.1615","","","","","","0.993","","","","has coordinates","300846","2025-07-06","16:13:41",""
"7718862","10.3","0.006","16.285","0.009","17.635","0.012","90","","105.91","0.02","90","","2845","3","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H43 Mn N2 P4 Si -","- C24 H42.698 Mn N2 P4 Si -","- C96 H170.792 Mn4 N8 P16 Si4 -","4","1","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene complexes: reactivity with dihydrogen, isonitriles, and dinitrogen.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9949","9968","10.1039/d5dt01025j","","","0.71073","MoKα","","0.1018","0.0585","","","0.1246","0.1464","","","","","","1.02","","","","has coordinates,has disorder","300846","2025-07-06","16:13:42",""
"7718863","10.333","0.002","16.308","0.003","17.76","0.004","90","","105.8","0.03","90","","2879.7","1.1","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H43 Ge Mn N2 P4 -","- C24 H42 Ge Mn N2 P4 -","- C96 H168 Ge4 Mn4 N8 P16 -","4","1","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene complexes: reactivity with dihydrogen, isonitriles, and dinitrogen.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9949","9968","10.1039/d5dt01025j","","","0.71073","MoKα","","0.1865","0.0852","","","0.1881","0.2392","","","","","","0.872","","","","has coordinates,has disorder","300846","2025-07-06","16:13:42",""
"7718864","9.459","0.004","20.844","0.01","16.251","0.01","90","","90.97","0.03","90","","3204","3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H52 Ge Mn N P4 -","- C29 H52 Ge Mn N P4 -","- C116 H208 Ge4 Mn4 N4 P16 -","4","1","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene complexes: reactivity with dihydrogen, isonitriles, and dinitrogen.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9949","9968","10.1039/d5dt01025j","","","0.71073","MoKα","","0.0813","0.0521","","","0.1211","0.1336","","","","","","1.022","","","","has coordinates","300846","2025-07-06","16:13:42",""
"7718865","8.921","0.004","30.056","0.008","9.232","0.003","90","","96.37","0.03","90","","2460.1","1.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H43 Ge Mn N2 P4 -","- C16 H43 Ge Mn N2 P4 -","- C64 H172 Ge4 Mn4 N8 P16 -","4","1","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene complexes: reactivity with dihydrogen, isonitriles, and dinitrogen.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9949","9968","10.1039/d5dt01025j","","","0.71073","MoKα","","0.0601","0.0344","","","0.0693","0.0757","","","","","","0.977","","","","has coordinates","300846","2025-07-06","16:13:42",""
"7718866","9.295","0.003","16.194","0.004","16.278","0.004","90","","90.674","0.014","90","","2450","1.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H43 Ge Mn N2 P4 -","- C16 H43 Ge Mn N2 P4 -","- C64 H172 Ge4 Mn4 N8 P16 -","4","1","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene complexes: reactivity with dihydrogen, isonitriles, and dinitrogen.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9949","9968","10.1039/d5dt01025j","","","0.71073","MoKα","","0.0381","0.0337","","","0.0864","0.0878","","","","","","1.201","","","","has coordinates,has disorder","300846","2025-07-06","16:13:42",""
"7718867","9.636","0.002","10.981","0.003","14.658","0.003","71.401","0.012","83.524","0.016","77.39","0.02","1433","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H43 Ge Mn N2 P4 -","- C24 H43 Ge Mn N2 P4 -","- C48 H86 Ge2 Mn2 N4 P8 -","2","1","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene complexes: reactivity with dihydrogen, isonitriles, and dinitrogen.","Dalton transactions (Cambridge, England : 2003)","2025","54","25","9949","9968","10.1039/d5dt01025j","","","0.71073","MoKα","","0.0458","0.0376","","","0.0912","0.0945","","","","","","1.041","","","","has coordinates,has disorder","300846","2025-07-06","16:13:42",""
"7718868","10.0993","0.0004","10.0993","0.0004","7.4738","0.0004","90","","90","","120","","660.17","0.05","297","","297","","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- Ce3 Ga3 Ge2 O10 S3 -","- Ce3 Ga3 Ge2 O10 S3 -","- Ce6 Ga6 Ge4 O20 S6 -","2","0.166667","","Yan, Hong; Fujii, Kotaro; Matsushita, Yoshitaka; Yashima, Masatomo; Yamaura, Kazunari; Tsujimoto, Yoshihiro","Flux crystal growth, structure, and optical properties of non-centrosymmetric oxysulfides Ln<sub>3</sub>Ga<sub>3</sub>Ge<sub>2</sub>S<sub>3</sub>O<sub>10</sub> (Ln = La, Ce, Pr, Nd).","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10433","10440","10.1039/d5dt01100k","","x-ray","0.71073","MoKα","","0.0126","0.0109","","","0.0208","0.021","","","","","","1.083","","","","has coordinates","300790","2025-07-06","15:40:39",""
"7718869","10.0921","0.0007","10.0921","0.0007","7.4251","0.0005","90","","90","","120","","654.93","0.08","293","2","297.15","","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- Ga3 Ge2 O10 Pr3 S3 -","- Ga3 Ge2 O10 Pr3 S3 -","- Ga6 Ge4 O20 Pr6 S6 -","2","0.166667","","Yan, Hong; Fujii, Kotaro; Matsushita, Yoshitaka; Yashima, Masatomo; Yamaura, Kazunari; Tsujimoto, Yoshihiro","Flux crystal growth, structure, and optical properties of non-centrosymmetric oxysulfides Ln<sub>3</sub>Ga<sub>3</sub>Ge<sub>2</sub>S<sub>3</sub>O<sub>10</sub> (Ln = La, Ce, Pr, Nd).","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10433","10440","10.1039/d5dt01100k","","x-ray","0.71073","MoKα","","0.0136","0.0128","","","0.0234","0.0236","","","","","","0.977","","","","has coordinates","300790","2025-07-06","15:40:39",""
"7718870","10.1701","0.0004","10.1701","0.0004","7.5198","0.0003","90","","90","","120","","673.58","0.05","297.15","","297.15","","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- Ga3 Ge2 La3 O10 S3 -","- Ga3 Ge2 La3 O10 S3 -","- Ga6 Ge4 La6 O20 S6 -","2","0.166667","","Yan, Hong; Fujii, Kotaro; Matsushita, Yoshitaka; Yashima, Masatomo; Yamaura, Kazunari; Tsujimoto, Yoshihiro","Flux crystal growth, structure, and optical properties of non-centrosymmetric oxysulfides Ln<sub>3</sub>Ga<sub>3</sub>Ge<sub>2</sub>S<sub>3</sub>O<sub>10</sub> (Ln = La, Ce, Pr, Nd).","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10433","10440","10.1039/d5dt01100k","","x-ray","0.71073","MoKα","","0.0114","0.0109","","","0.0251","0.0252","","","","","","1.107","","","","has coordinates","300790","2025-07-06","15:40:39",""
"7718871","10.0682","0.0005","10.0682","0.0005","7.3802","0.0005","90","","90","","120","","647.89","0.06","294","","294","","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- Ga3 Ge2 Nd3 O10 S3 -","- Ga3 Ge2 Nd3 O10 S3 -","- Ga6 Ge4 Nd6 O20 S6 -","2","0.166667","","Yan, Hong; Fujii, Kotaro; Matsushita, Yoshitaka; Yashima, Masatomo; Yamaura, Kazunari; Tsujimoto, Yoshihiro","Flux crystal growth, structure, and optical properties of non-centrosymmetric oxysulfides Ln<sub>3</sub>Ga<sub>3</sub>Ge<sub>2</sub>S<sub>3</sub>O<sub>10</sub> (Ln = La, Ce, Pr, Nd).","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10433","10440","10.1039/d5dt01100k","","x-ray","0.71073","MoKα","","0.0214","0.019","","","0.0328","0.0334","","","","","","1.119","","","","has coordinates","300790","2025-07-06","15:40:39",""
"7718872","12.5495","0.0002","15.2226","0.0003","24.5566","0.0002","75.137","0.001","81.835","0.001","67.072","0.002","4171.34","0.13","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C45.5 H48.5 Cl N2 O3.75 P2 Re -","- C45 H47 Cl N2 O3.5 P2 Re -","- C180 H188 Cl4 N8 O14 P8 Re4 -","4","2","","Xu, Shuting; Zhang, Yu; Li, Bin; Li, Hao; Huang, Jing; Chen, Yiyu; Hu, Kun; Zhang, Fengjun; Fang, Xiaolong","Efficient hydrogenation of ketones and aldehydes catalysed by a well-defined PNNP-rhenium complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10396","10402","10.1039/d5dt01368b","","x-ray","1.54184","CuKα","","0.0531","0.0504","","","0.1439","0.1463","","","","","","1.081","","","","has coordinates","300804","2025-07-06","15:48:32",""
"7718873","12.7975","0.0004","13.4519","0.0004","13.8667","0.0004","82.494","0.002","88.151","0.002","67.487","0.002","2185.94","0.12","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H51 N2 O2 P2 Re -","- C53 H51 N2 O2 P2 Re -","- C106 H102 N4 O4 P4 Re2 -","2","1","","Xu, Shuting; Zhang, Yu; Li, Bin; Li, Hao; Huang, Jing; Chen, Yiyu; Hu, Kun; Zhang, Fengjun; Fang, Xiaolong","Efficient hydrogenation of ketones and aldehydes catalysed by a well-defined PNNP-rhenium complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10396","10402","10.1039/d5dt01368b","","x-ray","1.54186","CuKα","","0.0344","0.0307","","","0.0792","0.0812","","","","","","1.056","","","","has coordinates","300804","2025-07-06","15:48:34",""
"7718874","13.0948","0.0002","20.8238","0.0005","32.3858","0.0006","90","","90","","90","","8831.1","0.3","120","","120","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C47.5 H47 Cl4 N2 O2 P2 Re -","- C46 H44 Cl N2 O2 P2 Re -","- C368 H352 Cl8 N16 O16 P16 Re8 -","8","1","","Xu, Shuting; Zhang, Yu; Li, Bin; Li, Hao; Huang, Jing; Chen, Yiyu; Hu, Kun; Zhang, Fengjun; Fang, Xiaolong","Efficient hydrogenation of ketones and aldehydes catalysed by a well-defined PNNP-rhenium complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10396","10402","10.1039/d5dt01368b","","x-ray","1.54186","CuKα","","0.0615","0.0543","","","0.1579","0.1694","","","","","","1.036","","","","has coordinates","300804","2025-07-06","15:48:35",""
"7718875","12.9983","0.0009","16.0655","0.0012","20.4888","0.0014","85.512","0.003","73.304","0.003","70.764","0.003","3868.7","0.5","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H114 Cl Hf Ir N2 Si6 -","- C78 H114 Cl Hf Ir N2 Si6 -","- C156 H228 Cl2 Hf2 Ir2 N4 Si12 -","2","1","","Giarrana, Luisa; Poitiers, Nadine E.; Stürmer, Alida; Zimmer, Michael; Huch, Volker; Morgenstern, Bernd; Scheschkewitz, David","Heterobimetallic unsaturated silicon clusters (siliconoids) with transition metal-expanded scaffolds.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10441","10447","10.1039/d5dt01135c","","","0.71073","MoKα","","0.0469","0.0331","","","0.0644","0.0698","","","","","","1.107","","","","has coordinates,has disorder","300803","2025-07-06","15:47:43",""
"7718876","13.0066","0.0006","16.0638","0.0008","20.4956","0.001","85.64","0.002","73.327","0.002","70.671","0.002","3870.1","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H114 Cl Ir N2 Si6 Zr -","- C78 H114 Cl Ir N2 Si6 Zr -","- C156 H228 Cl2 Ir2 N4 Si12 Zr2 -","2","1","","Giarrana, Luisa; Poitiers, Nadine E.; Stürmer, Alida; Zimmer, Michael; Huch, Volker; Morgenstern, Bernd; Scheschkewitz, David","Heterobimetallic unsaturated silicon clusters (siliconoids) with transition metal-expanded scaffolds.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10441","10447","10.1039/d5dt01135c","","","0.71073","MoKα","","0.0383","0.0306","","","0.063","0.0665","","","","","","1.057","","","","has coordinates,has disorder","300803","2025-07-06","15:47:45",""
"7718877","14.3574","0.001","22.2591","0.0014","25.9243","0.0017","75.099","0.002","88.548","0.002","77.283","0.002","7805.7","0.9","122","2","122","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H120 Ir Li N2 O2 Si6 -","- C76 H120 Ir Li N2 O2 Si6 -","- C304 H480 Ir4 Li4 N8 O8 Si24 -","4","2","","Giarrana, Luisa; Poitiers, Nadine E.; Stürmer, Alida; Zimmer, Michael; Huch, Volker; Morgenstern, Bernd; Scheschkewitz, David","Heterobimetallic unsaturated silicon clusters (siliconoids) with transition metal-expanded scaffolds.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10441","10447","10.1039/d5dt01135c","","","0.71073","MoKα","","0.0702","0.0442","","","0.1001","0.1089","","","","","","1.025","","","","has coordinates,has disorder","300803","2025-07-06","15:47:56",""
"7718878","9.56","0.0008","10.2045","0.0009","12.3475","0.0011","81.6","0.007","81.173","0.007","83.295","0.007","1172.03","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 Cl2 N O2 Sn -","- C26 H19 Cl2 N O2 Sn -","- C52 H38 Cl4 N2 O4 Sn2 -","2","1","","Basu, Debayan; Chakraborty, Sudipta; Chakraborty, Gourav; Bhattacharya, Saptarshi; Patra, Niladri; Nayek, Hari Pada","Solvent-free Hydrosilylation of Carbonyl Compounds Catalyzed by Organotin(IV) Compounds","Dalton Transactions","2025","","","","","10.1039/D5DT01033K","","x-ray","0.71073","MoKα","","0.1073","0.0582","","","0.1138","0.1258","","","","","","0.975","","","","has coordinates","300076","2025-06-13","22:54:16",""
"7718879","9.2724","0.0006","9.294","0.0005","10.7548","0.0006","68.04","0.005","82.155","0.005","88.256","0.005","851.32","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Cl2 N O2 Sn -","- C16 H15 Cl2 N O2 Sn -","- C32 H30 Cl4 N2 O4 Sn2 -","2","1","","Basu, Debayan; Chakraborty, Sudipta; Chakraborty, Gourav; Bhattacharya, Saptarshi; Patra, Niladri; Nayek, Hari Pada","Solvent-free Hydrosilylation of Carbonyl Compounds Catalyzed by Organotin(IV) Compounds","Dalton Transactions","2025","","","","","10.1039/D5DT01033K","","x-ray","0.71073","MoKα","","0.0591","0.046","","","0.0952","0.1014","","","","","","1.045","","","","has coordinates","300076","2025-06-13","22:54:17",""
"7718880","13.1342","0.0005","7.9389","0.0005","21.8868","0.0011","90","","98.03","0.004","90","","2259.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cl2 N O2 Sn -","- C22 H27 Cl2 N O2 Sn -","- C88 H108 Cl8 N4 O8 Sn4 -","4","1","","Basu, Debayan; Chakraborty, Sudipta; Chakraborty, Gourav; Bhattacharya, Saptarshi; Patra, Niladri; Nayek, Hari Pada","Solvent-free Hydrosilylation of Carbonyl Compounds Catalyzed by Organotin(IV) Compounds","Dalton Transactions","2025","","","","","10.1039/D5DT01033K","","","0.71073","MoKα","","0.0506","0.0393","","","0.0841","0.0906","","","","","","1.04","","","","has coordinates","300076","2025-06-13","22:54:17",""
"7718881","10.5593","0.0007","16.6644","0.001","26.6239","0.0013","90","","90","","90","","4684.9","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H27 Cl2 N O2 Sn -","- C22 H27 Cl2 N O2 Sn -","- C176 H216 Cl16 N8 O16 Sn8 -","8","1","","Basu, Debayan; Chakraborty, Sudipta; Chakraborty, Gourav; Bhattacharya, Saptarshi; Patra, Niladri; Nayek, Hari Pada","Solvent-free Hydrosilylation of Carbonyl Compounds Catalyzed by Organotin(IV) Compounds","Dalton Transactions","2025","","","","","10.1039/D5DT01033K","","x-ray","0.71073","MoKα","","0.0587","0.0419","","","0.0901","0.0969","","","","","","1.071","","","","has coordinates","300076","2025-06-13","22:54:17",""
"7718882","11.61","0.002","13.17","0.003","13.6","0.003","107.9","0.03","101.3","0.03","91","0.03","1933.7","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H19 F9 N6 O7 Sm -","- C34 H19 F9 N6 O7 Sm -","- C68 H38 F18 N12 O14 Sm2 -","2","1","","Ilmi, Rashid; Kansız, Sevgi; Al Rasbi, Nawal K.; Anjum, Sadiya; Van Deun, Rik; Khan, Muhammad S.","Efficient 0.4 μm-1.6 μm emission from muffin-shaped nine-coordinated ternary samarium(III) and erbium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10370","10380","10.1039/d5dt00710k","","","0.71073","MoKα","","0.1155","0.0727","","","0.1744","0.1984","","","","","","0.993","","","","has coordinates","300801","2025-07-06","15:45:20",""
"7718883","11.62","0.002","13.19","0.003","13.59","0.003","107.7","0.03","101.5","0.03","91","0.03","1937.7","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H26 Cl2 Er F9 N6 O6 -","- C34 H26 Cl2 Er F9 N6 O6 -","- C68 H52 Cl4 Er2 F18 N12 O12 -","2","1","","Ilmi, Rashid; Kansız, Sevgi; Al Rasbi, Nawal K.; Anjum, Sadiya; Van Deun, Rik; Khan, Muhammad S.","Efficient 0.4 μm-1.6 μm emission from muffin-shaped nine-coordinated ternary samarium(III) and erbium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10370","10380","10.1039/d5dt00710k","","","0.71073","MoKα","","0.1005","0.0894","","","0.2229","0.2359","","","","","","1.07","","","","has coordinates","300801","2025-07-06","15:45:21",""
"7718884","38.7577","0.0009","38.7577","0.0009","16.161","0.0003","90","","90","","120","","21024","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C264 H240 I24 N24 Zn12 -","- C264 H240 I24 N24 Zn12 -","- C792 H720 I72 N72 Zn36 -","3","0.166667","","Martí-Rujas, Javier; Elli, Stefano; Famulari, Antonino","<i>In situ</i> X-ray study of breathing-like effect in interlocked metal-organic nanocages.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10761","10768","10.1039/d5dt01186h","","","1.54184","CuKα","","0.0919","0.0737","","","0.1973","0.2141","","","","","","1.06","","","","has coordinates","303727","2025-11-29","20:09:25",""
"7718885","38.817","0.0007","38.817","0.0007","16.05","0.0003","90","","90","","120","","20943.5","0.7","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C174 H144 I24 N24 O6 Zn12 -","- C174 H144 I24 N24 O6 Zn12 -","- C522 H432 I72 N72 O18 Zn36 -","3","0.166667","","Martí-Rujas, Javier; Elli, Stefano; Famulari, Antonino","<i>In situ</i> X-ray study of breathing-like effect in interlocked metal-organic nanocages.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10761","10768","10.1039/d5dt01186h","","","1.54184","CuKα","","0.1387","0.1154","","","0.3192","0.3357","","","","","","1.276","","","","has coordinates","303727","2025-11-29","20:09:26",""
"7718886","38.9215","0.0014","38.9215","0.0014","16.2503","0.0006","90","","90","","120","","21319.2","1.3","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C264 H240 I24 N24 Zn12 -","- C264 H240 I24 N24 Zn12 -","- C792 H720 I72 N72 Zn36 -","3","0.166667","","Martí-Rujas, Javier; Elli, Stefano; Famulari, Antonino","<i>In situ</i> X-ray study of breathing-like effect in interlocked metal-organic nanocages.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10761","10768","10.1039/d5dt01186h","","","1.54184","CuKα","","0.1051","0.0763","","","0.2054","0.233","","","","","","1.051","","","","has coordinates","303727","2025-11-29","20:09:26",""
"7718887","38.8366","0.0013","38.8366","0.0013","16.2247","0.001","90","","90","","120","","21192.9","1.6","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C264 H240 I24 N24 Zn12 -","- C264 H240 I24 N24 Zn12 -","- C792 H720 I72 N72 Zn36 -","3","0.166667","","Martí-Rujas, Javier; Elli, Stefano; Famulari, Antonino","<i>In situ</i> X-ray study of breathing-like effect in interlocked metal-organic nanocages.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10761","10768","10.1039/d5dt01186h","","","1.54184","CuKα","","0.0938","0.069","","","0.1862","0.2099","","","","","","1.052","","","","has coordinates","303727","2025-11-29","20:09:26",""
"7718888","38.8579","0.0008","38.8579","0.0008","16.2103","0.0003","90","","90","","120","","21197.3","0.7","250","2","250","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C174 H144 I24 N24 O6 Zn12 -","- C174 H144 I24 N24 O6 Zn12 -","- C522 H432 I72 N72 O18 Zn36 -","3","0.166667","","Martí-Rujas, Javier; Elli, Stefano; Famulari, Antonino","<i>In situ</i> X-ray study of breathing-like effect in interlocked metal-organic nanocages.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10761","10768","10.1039/d5dt01186h","","","1.54184","CuKα","","0.1135","0.0979","","","0.2841","0.2943","","","","","","1.034","","","","has coordinates","303727","2025-11-29","20:09:26",""
"7718889","39.0207","0.0018","39.0207","0.0018","16.3353","0.0006","90","","90","","120","","21540.1","1.6","250","2","250","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C264 H240 I24 N24 Zn12 -","- C264 H240 I24 N24 Zn12 -","- C792 H720 I72 N72 Zn36 -","3","0.166667","","Martí-Rujas, Javier; Elli, Stefano; Famulari, Antonino","<i>In situ</i> X-ray study of breathing-like effect in interlocked metal-organic nanocages.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10761","10768","10.1039/d5dt01186h","","","1.54184","CuKα","","0.1165","0.0794","","","0.2196","0.2523","","","","","","1.054","","","","has coordinates","303727","2025-11-29","20:09:26",""
"7718890","39.0407","0.0016","39.0407","0.0016","16.278","0.0005","90","","90","","120","","21486.6","1.4","300","2","300","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C264 H240 I24 N24 Zn12 -","- C264 H240 I24 N24 Zn12 -","- C792 H720 I72 N72 Zn36 -","3","0.166667","","Martí-Rujas, Javier; Elli, Stefano; Famulari, Antonino","<i>In situ</i> X-ray study of breathing-like effect in interlocked metal-organic nanocages.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10761","10768","10.1039/d5dt01186h","","","1.54184","CuKα","","0.104","0.0848","","","0.2467","0.2636","","","","","","1.079","","","","has coordinates","303727","2025-11-29","20:09:26",""
"7718891","38.6352","0.0009","38.6352","0.0009","15.8231","0.0004","90","","90","","120","","20454.5","0.8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C174 H144 I24 N24 O6 Zn12 -","- C174 H144 I24 N24 O6 Zn12 -","- C522 H432 I72 N72 O18 Zn36 -","3","0.166667","","Martí-Rujas, Javier; Elli, Stefano; Famulari, Antonino","<i>In situ</i> X-ray study of breathing-like effect in interlocked metal-organic nanocages.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10761","10768","10.1039/d5dt01186h","","","1.54184","CuKα","","0.1251","0.1057","","","0.2809","0.2961","","","","","","1.053","","","","has coordinates","303727","2025-11-29","20:09:26",""
"7718892","38.7388","0.0008","38.7388","0.0008","15.9128","0.0003","90","","90","","120","","20680.9","0.7","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C174 H144 I24 N24 O6 Zn12 -","- C174 H144 I24 N24 O6 Zn12 -","- C522 H432 I72 N72 O18 Zn36 -","3","0.166667","","Martí-Rujas, Javier; Elli, Stefano; Famulari, Antonino","<i>In situ</i> X-ray study of breathing-like effect in interlocked metal-organic nanocages.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10761","10768","10.1039/d5dt01186h","","","1.54184","CuKα","","0.0979","0.0832","","","0.2337","0.2495","","","","","","1.06","","","","has coordinates","303727","2025-11-29","20:09:26",""
"7718893","7.37097","0.00003","14.58707","0.00007","7.08286","0.00003","90","","90","","90","","761.555","0.006","293","","293","","","","","","","","","3","P c a b","-P 2bc 2ac","61","","LaSI","","- I La S -","- I La S -","- I8 La8 S8 -","8","1","","Kawanishi, Shohei; Yoshida, Suguru; Ubukata, Hiroki; Yin, Congling; Yang, Yang; Morimoto, Ryusei; Clarke, Simon J.; Kageyama, Hiroshi","Structural stability and polymorphic transitions in LnSI (Ln = lanthanides).","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10263","10269","10.1039/d5dt00753d","powder diffraction","","0.4202","synchrotron","","","","","","","","","7.2112","2.2427","","","","","","","has coordinates","300805","2025-07-06","15:48:47",""
"7718894","10.789","0.0002","13.8732","0.0002","16.9814","0.0004","106.212","0.002","100.122","0.002","102.811","0.002","2301.98","0.09","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H40 Cl7 Ho3 N3 O15 -","- C27 H36 Cl4 Ho3 N3 O13 -","- C54 H72 Cl8 Ho6 N6 O26 -","2","1","","Mangundu, Patrick; Tanner, Kate E.; Bloomfield, Andrew; Barnard, Peter J.; White, Keith F.; Ho, Curtis C.; Yepuri, Nageshwar R.; Mole, Richard A.; Fuller, Rebecca O.","Trinuclear rare earth pyridyl-β-diketonate complexes: developing new methods towards finding lost toroidal spin states.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10455","10466","10.1039/d5dt01067e","","x-ray","1.54184","CuKα","","0.0355","0.0332","","","0.0842","0.0856","","","","","","1.067","","","","has coordinates,has disorder","300802","2025-07-06","15:46:36",""
"7718895","11.4903","0.0003","19.5628","0.0005","20.6987","0.0005","90","","90.417","0.003","90","","4652.6","0.2","151","2","151","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Dy3 N9 O29 -","- C27 H31 Dy3 N7 O23 -","- C108 H124 Dy12 N28 O92 -","4","1","","Mangundu, Patrick; Tanner, Kate E.; Bloomfield, Andrew; Barnard, Peter J.; White, Keith F.; Ho, Curtis C.; Yepuri, Nageshwar R.; Mole, Richard A.; Fuller, Rebecca O.","Trinuclear rare earth pyridyl-β-diketonate complexes: developing new methods towards finding lost toroidal spin states.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10455","10466","10.1039/d5dt01067e","","x-ray","1.54184","CuKα","","0.0799","0.0598","","","0.1605","0.1726","","","","","","1.061","","","","has coordinates,has disorder","300802","2025-07-06","15:46:38",""
"7718896","9.9809","0.0002","33.151","0.0005","26.2513","0.0006","90","","100.7","0.003","90","","8534.9","0.3","149.8","0.3","149.8","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H62 Cl6 Dy2 N5 O11 -","- C90 H62 Dy2 N5 O11 -","- C360 H248 Dy8 N20 O44 -","4","1","","Mangundu, Patrick; Tanner, Kate E.; Bloomfield, Andrew; Barnard, Peter J.; White, Keith F.; Ho, Curtis C.; Yepuri, Nageshwar R.; Mole, Richard A.; Fuller, Rebecca O.","Trinuclear rare earth pyridyl-β-diketonate complexes: developing new methods towards finding lost toroidal spin states.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10455","10466","10.1039/d5dt01067e","","x-ray","1.54184","CuKα","","0.0804","0.0586","","","0.1677","0.1861","","","","","","1.085","","","","has coordinates,has disorder","300802","2025-07-06","15:46:49",""
"7718897","31.884","0.0001","31.884","0.0001","26.8565","0.0001","90","","90","","120","","23644.3","0.14","150","0.1","150","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C32 H45 Cl4 Ho3 N3 O13.5 -","- C31 H42 Cl4 Ho3 N3 O13 -","- C558 H756 Cl72 Ho54 N54 O234 -","18","1","","Mangundu, Patrick; Tanner, Kate E.; Bloomfield, Andrew; Barnard, Peter J.; White, Keith F.; Ho, Curtis C.; Yepuri, Nageshwar R.; Mole, Richard A.; Fuller, Rebecca O.","Trinuclear rare earth pyridyl-β-diketonate complexes: developing new methods towards finding lost toroidal spin states.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10455","10466","10.1039/d5dt01067e","","","1.54184","CuKα","","0.0248","0.0242","","","0.0645","0.0649","","","","","","1.04","","","","has coordinates,has disorder","300802","2025-07-06","15:46:51",""
"7718898","18.2181","0.0002","15.5048","0.0001","35.3931","0.0004","90","","94.521","0.001","90","","9966.31","0.17","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H104 Cl10 Ho6 N6 O34 -","- C58 H80 Cl8 Ho6 N6 O28 -","- C232 H320 Cl32 Ho24 N24 O112 -","4","1","","Mangundu, Patrick; Tanner, Kate E.; Bloomfield, Andrew; Barnard, Peter J.; White, Keith F.; Ho, Curtis C.; Yepuri, Nageshwar R.; Mole, Richard A.; Fuller, Rebecca O.","Trinuclear rare earth pyridyl-β-diketonate complexes: developing new methods towards finding lost toroidal spin states.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10455","10466","10.1039/d5dt01067e","","x-ray","1.54184","CuKα","","0.0591","0.0493","","","0.1163","0.1211","","","","","","1.039","","","","has coordinates,has disorder","300802","2025-07-06","15:47:02",""
"7718899","15.6133","0.0004","18.1248","0.0006","18.1431","0.0007","85.924","0.003","89.925","0.002","74.263","0.003","4928.5","0.3","150.1","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C70 H108 Cl10 Dy6 N6 O28 -","- C54 H68 Cl8 Dy6 N6 O26 -","- C108 H136 Cl16 Dy12 N12 O52 -","2","1","","Mangundu, Patrick; Tanner, Kate E.; Bloomfield, Andrew; Barnard, Peter J.; White, Keith F.; Ho, Curtis C.; Yepuri, Nageshwar R.; Mole, Richard A.; Fuller, Rebecca O.","Trinuclear rare earth pyridyl-β-diketonate complexes: developing new methods towards finding lost toroidal spin states.","Dalton transactions (Cambridge, England : 2003)","2025","54","26","10455","10466","10.1039/d5dt01067e","","","1.54184","CuKα","","0.0763","0.0584","","","0.1421","0.15","","","","","","1.057","","","","has coordinates,has disorder","300802","2025-07-06","15:47:03",""
"7718900","10.9311","0.0003","12.1832","0.0003","25.4911","0.0007","78.847","0.002","87.396","0.002","89.05","0.002","3327.14","0.15","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H98 Al Br Fe2 -","- C76 H98 Al Br Fe2 -","- C152 H196 Al2 Br2 Fe4 -","2","1","","Anzai, Togo; Sugamata, Koh; Morisako, Shogo; Sasamori, Takahiro","Structural characterization of a dicoordinated bis(ferrocenyl)aluminum cation.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10667","10672","10.1039/d5dt00966a","","","0.71073","MoKα","","0.1585","0.0793","","","0.128","0.1518","","","","","","1.037","","","","has coordinates,has disorder","303725","2025-11-29","20:07:00",""
"7718901","16.0462","0.0005","16.7261","0.0005","20.4876","0.0008","103.766","0.007","102.115","0.007","96.188","0.007","5149.2","0.4","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H114 Al B F20 Fe2 N2 -","- C112 H114 Al B F20 Fe2 N2 -","- C224 H228 Al2 B2 F40 Fe4 N4 -","2","1","","Anzai, Togo; Sugamata, Koh; Morisako, Shogo; Sasamori, Takahiro","Structural characterization of a dicoordinated bis(ferrocenyl)aluminum cation.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10667","10672","10.1039/d5dt00966a","","","0.71075","MoKα","","0.2643","0.1225","","","0.2478","0.3305","","","","","","1.012","","","","has coordinates,has disorder","303725","2025-11-29","20:07:04",""
"7718902","12.0944","0.0001","16.8743","0.0002","37.3262","0.0005","90","","94.941","0.001","90","","7589.39","0.15","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C85 H117 Al Fe2 -","- C85 H117 Al Fe2 -","- C340 H468 Al4 Fe8 -","4","1","","Anzai, Togo; Sugamata, Koh; Morisako, Shogo; Sasamori, Takahiro","Structural characterization of a dicoordinated bis(ferrocenyl)aluminum cation.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10667","10672","10.1039/d5dt00966a","","","0.71073","MoKα","","0.0644","0.0554","","","0.112","0.1156","","","","","","1.174","","","","has coordinates,has disorder","303725","2025-11-29","20:07:04",""
"7718903","41.557","0.004","11.1345","0.0002","24.701","0.002","90","","142.351","0.019","90","","6981","3","103","2","103","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C79 H105 Cl Fe2 Ga -","- C79 H105 Cl Fe2 Ga -","- C316 H420 Cl4 Fe8 Ga4 -","4","1","","Anzai, Togo; Sugamata, Koh; Morisako, Shogo; Sasamori, Takahiro","Structural characterization of a dicoordinated bis(ferrocenyl)aluminum cation.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10667","10672","10.1039/d5dt00966a","","","0.71073","MoKα","","0.0684","0.053","","","0.1227","0.1307","","","","","","1.099","","","","has coordinates,has disorder","303725","2025-11-29","20:07:05",""
"7718904","13.4913","0.0004","14.3835","0.0005","24.417","0.0007","100.303","0.002","103.336","0.002","93.648","0.003","4508.8","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H98 Al B F20 Fe2 -","- C100 H98 Al B F20 Fe2 -","- C200 H196 Al2 B2 F40 Fe4 -","2","1","","Anzai, Togo; Sugamata, Koh; Morisako, Shogo; Sasamori, Takahiro","Structural characterization of a dicoordinated bis(ferrocenyl)aluminum cation.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10667","10672","10.1039/d5dt00966a","","","0.71073","MoKα","","0.1693","0.0883","","","0.1087","0.1303","","","","","","1.1","","","","has coordinates,has disorder","303725","2025-11-29","20:07:05",""
"7718905","12.1792","0.0004","29.2404","0.0008","27.8811","0.0009","90","","92.846","0.003","90","","9916.9","0.5","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C111 H116 Al B F20 Fe2 O -","- C111 H116 Al B F20 Fe2 O -","- C444 H464 Al4 B4 F80 Fe8 O4 -","4","1","","Anzai, Togo; Sugamata, Koh; Morisako, Shogo; Sasamori, Takahiro","Structural characterization of a dicoordinated bis(ferrocenyl)aluminum cation.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10667","10672","10.1039/d5dt00966a","","","0.71073","MoKα","","0.2045","0.1022","","","0.1336","0.164","","","","","","1.059","","","","has coordinates,has disorder","303725","2025-11-29","20:07:05",""
"7718906","11.1258","0.0002","11.5255","0.0002","13.2445","0.0003","72.616","0.002","80.403","0.002","68.801","0.002","1507.81","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H22 Cd N6 O6 S -","- C34 H20 Cd N6 O5 S -","- C68 H40 Cd2 N12 O10 S2 -","2","1","","Yang, Hong-Li; Zhang, Rui-Jie; Zheng, Teng-Fei; Cao, Chen; Peng, Yan; Chen, Jing-Lin; Wen, He-Rui; Liu, Sui-Jun","Aromatic dicarboxylates induced structural diversity of Cd<sup>II</sup> metal-organic frameworks from a 2D layer to a 3D pillar-layer network for fluorescence sensing of cations, anions and L-serine.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10742","10750","10.1039/d5dt00305a","","","0.71073","MoKα","","0.0335","0.03","","","0.0902","0.0925","","","","","","1.091","","","","has coordinates","303731","2025-11-29","20:12:30",""
"7718907","13.8218","0.001","15.9398","0.0011","28.573","0.003","90","","100.778","0.009","90","","6184.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Cd N6 O6 S -","- C34 H20 Cd N6 O4 S -","- C272 H160 Cd8 N48 O32 S8 -","8","1","","Yang, Hong-Li; Zhang, Rui-Jie; Zheng, Teng-Fei; Cao, Chen; Peng, Yan; Chen, Jing-Lin; Wen, He-Rui; Liu, Sui-Jun","Aromatic dicarboxylates induced structural diversity of Cd<sup>II</sup> metal-organic frameworks from a 2D layer to a 3D pillar-layer network for fluorescence sensing of cations, anions and L-serine.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10742","10750","10.1039/d5dt00305a","","","0.71073","MoKα","","0.0825","0.0536","","","0.1224","0.1488","","","","","","1.064","","","","has coordinates","303731","2025-11-29","20:12:31",""
"7718908","19.379","0.0013","18.5511","0.0011","8.2443","0.0006","90","","113.254","0.005","90","","2723.1","0.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H34 O3 Si2 -","- C30 H34 O3 Si2 -","- C120 H136 O12 Si8 -","4","1","","Wittmann, Christopher; Palamarciuc, Oleg; Dascalu, Mihaela; Cazacu, Maria; Nesterov, Dmytro S.; Pombeiro, Armando J. L.; Rapta, Peter; Arion, Vladimir B.","Copper(II) complex with a redox-noninnocent Schiff base bearing a tetraphenyldisiloxane unit: synthesis, structure and catalytic oxidation of cyclohexane.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10984","11005","10.1039/d5dt01028d","","","0.71073","MoKα","","0.0533","0.0357","","","0.0696","0.071","","","","","","0.955","","","","has coordinates","301593","2025-08-05","22:01:18",""
"7718909","13.1866","0.0005","27.5398","0.0008","16.4083","0.0006","90","","93.482","0.003","90","","5947.8","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C61.25 H76.38 Cl2.62 Cu N2 O3.38 Si2 -","- C61.25 H76.375 Cl2.625 Cu N2 O3.375 Si2 -","- C245 H305.5 Cl10.5 Cu4 N8 O13.5 Si8 -","4","2","","Wittmann, Christopher; Palamarciuc, Oleg; Dascalu, Mihaela; Cazacu, Maria; Nesterov, Dmytro S.; Pombeiro, Armando J. L.; Rapta, Peter; Arion, Vladimir B.","Copper(II) complex with a redox-noninnocent Schiff base bearing a tetraphenyldisiloxane unit: synthesis, structure and catalytic oxidation of cyclohexane.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10984","11005","10.1039/d5dt01028d","","","0.71073","MoKα","","0.0746","0.0532","","","0.1183","0.1231","","","","","","0.963","","","","has coordinates,has disorder","301593","2025-08-05","22:01:18",""
"7718910","10.032","0.0002","34.6863","0.0006","18.5069","0.0003","90","","94.101","0.002","90","","6423.4","0.2","120.01","0.1","120.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H90 Dy5 N9 O48 S12 -","- C18 H65 Dy5 N10 O48 S12 -","- C72 H260 Dy20 N40 O192 S48 -","4","0.5","","Yang, Jinxiang; Wang, Jiasheng; Li, Bo; Yan, Yuqing; Qiao, Zhiwu; Liu, Haibo; Zhu, Yicong","Cumulative enhancement effect of proton conductivity in the possible hydrogen fuel cell material dysprosium sulfate.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10769","10772","10.1039/d5dt01177a","","x-ray","1.54184","CuKα","","0.0381","0.0357","","","0.0905","0.092","","","","","","1.052","","","","has coordinates","303730","2025-11-29","20:12:02",""
"7718911","15.66","0.003","25.28","0.005","21.63","0.004","90","","107.8","0.03","90","","8153","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51.25 H102 Ge9 Ir O P Si12 -","- C46 H96 Ge9 Ir O P Si12 -","- C184 H384 Ge36 Ir4 O4 P4 Si48 -","4","1","","Willeit, Nicole S.; Kratky, Tim; Hlukhyy, Viktor; Günther, Sebastian; Fässler, Thomas F","Oxidative addition of Si-H bonds to metal-decorated Zintl clusters [Hyp<sub>3</sub>Ge<sub>9</sub>Ir(CO)PR<sub>3</sub>] (R = Ph, <sup><i>p</i></sup>tolyl, Me).","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10973","10983","10.1039/d5dt01147g","","","0.71073","MoKα","","0.1351","0.0572","","","0.1064","0.1266","","","","","","0.947","","","","has coordinates,has disorder","301590","2025-08-05","21:58:04",""
"7718912","26.26","0.005","14.83","0.003","18.79","0.004","90","","100.7","0.03","90","","7190","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H91 Ge9 Ir O2 Si13 -","- C35 H91 Ge9 Ir O2 Si13 -","- C140 H364 Ge36 Ir4 O8 Si52 -","4","1","","Willeit, Nicole S.; Kratky, Tim; Hlukhyy, Viktor; Günther, Sebastian; Fässler, Thomas F","Oxidative addition of Si-H bonds to metal-decorated Zintl clusters [Hyp<sub>3</sub>Ge<sub>9</sub>Ir(CO)PR<sub>3</sub>] (R = Ph, <sup><i>p</i></sup>tolyl, Me).","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10973","10983","10.1039/d5dt01147g","","","0.71073","MoKα","","0.126","0.0815","","","0.1919","0.212","","","","","","1.072","","","","has coordinates","301590","2025-08-05","21:58:05",""
"7718913","17.026","0.004","13.406","0.003","16.114","0.004","90","","109.082","0.003","90","","3475.9","1.4","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 F15 N9 P2 Ru -","- C28 H26 F15 N9 P2 Ru -","- C112 H104 F60 N36 P8 Ru4 -","4","1","","Arikawa, Yasuhiro; Morinaga, Momo; Kubota, Miyu; Omoto, Kenichiro; Sakuda, Eri; Umakoshi, Keisuke","Visible-light-driven photocatalytic CO<sub>2</sub> reduction using ruthenium complexes having a CNC-type pincer ligand: comparison of substituent effect on a CNC ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10683","10690","10.1039/d5dt00900f","","","0.71075","MoKα","","0.121","0.0953","","","0.1765","0.1901","","","","","","1.156","","","","has coordinates","303728","2025-11-29","20:09:58",""
"7718914","7.397","0.003","13.009","0.005","13.994","0.005","93.279","0.004","99.582","0.005","103.696","0.006","1283.5","0.9","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H22 Cl F6 N8 P Ru -","- C19 H22 Cl F6 N8 P Ru -","- C38 H44 Cl2 F12 N16 P2 Ru2 -","2","1","","Arikawa, Yasuhiro; Morinaga, Momo; Kubota, Miyu; Omoto, Kenichiro; Sakuda, Eri; Umakoshi, Keisuke","Visible-light-driven photocatalytic CO<sub>2</sub> reduction using ruthenium complexes having a CNC-type pincer ligand: comparison of substituent effect on a CNC ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10683","10690","10.1039/d5dt00900f","","","0.71075","MoKα","","0.0596","0.0429","","","0.0804","0.0896","","","","","","1.04","","","","has coordinates","303728","2025-11-29","20:10:00",""
"7718915","12.9032","0.0018","21.242","0.003","12.0479","0.0017","90","","106.516","0.0018","90","","3166","0.8","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F12 N8 O P2 Ru -","- C26 H26 F12 N8 O P2 Ru -","- C104 H104 F48 N32 O4 P8 Ru4 -","4","1","","Arikawa, Yasuhiro; Morinaga, Momo; Kubota, Miyu; Omoto, Kenichiro; Sakuda, Eri; Umakoshi, Keisuke","Visible-light-driven photocatalytic CO<sub>2</sub> reduction using ruthenium complexes having a CNC-type pincer ligand: comparison of substituent effect on a CNC ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10683","10690","10.1039/d5dt00900f","","","0.71075","MoKα","","0.049","0.046","","","0.1196","0.122","","","","","","1.05","","","","has coordinates","303728","2025-11-29","20:10:00",""
"7718916","33.25","0.016","16.663","0.007","10.839","0.005","90","","103.794","0.008","90","","5832","5","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cl F9 N9 P Ru -","- C22 H24 Cl F9 N9 P Ru -","- C176 H192 Cl8 F72 N72 P8 Ru8 -","8","1","","Arikawa, Yasuhiro; Morinaga, Momo; Kubota, Miyu; Omoto, Kenichiro; Sakuda, Eri; Umakoshi, Keisuke","Visible-light-driven photocatalytic CO<sub>2</sub> reduction using ruthenium complexes having a CNC-type pincer ligand: comparison of substituent effect on a CNC ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10683","10690","10.1039/d5dt00900f","","","0.71075","MoKα","","0.1362","0.1012","","","0.1962","0.2177","","","","","","1.137","","","","has coordinates","303728","2025-11-29","20:10:00",""
"7718917","15.9303","0.0003","12.0821","0.0003","26.5119","0.0008","90","","90","","90","","5102.8","0.2","100","0.1","100","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C48 H63 F Fe K N6 O15 -","- C48 H63 F Fe K N6 O15 -","- C192 H252 F4 Fe4 K4 N24 O60 -","4","1","","Huffman, Lucy S. X.; Seshadri, Anjana; Hastings, Christopher D.; Brennessel, William W.; Franco, Ignacio; Barnett, Brandon R.","Assessing structure and dynamics of iron complexes supported by tris(amidate)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10719","10724","10.1039/d5dt01284h","","x-ray","0.71073","MoKα","","0.0811","0.0537","","","0.1264","0.1364","","","","","","1.036","","","","has coordinates,has disorder","303726","2025-11-29","20:07:57",""
"7718918","12.5162","0.0002","13.9489","0.0003","26.6627","0.0004","90","","95.12","0.002","90","","4636.39","0.14","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H52 Cl6 Fe N5 O10 -","- C39 H52 Cl6 Fe N5 O10 -","- C156 H208 Cl24 Fe4 N20 O40 -","4","1","","Huffman, Lucy S. X.; Seshadri, Anjana; Hastings, Christopher D.; Brennessel, William W.; Franco, Ignacio; Barnett, Brandon R.","Assessing structure and dynamics of iron complexes supported by tris(amidate)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10719","10724","10.1039/d5dt01284h","","x-ray","1.54184","CuKα","","0.0716","0.0534","","","0.1355","0.145","","","","","","1.075","","","","has coordinates","303726","2025-11-29","20:08:01",""
"7718919","11.8099","0.0001","15.7355","0.0001","16.5052","0.0001","90","","105.332","0.001","90","","2958.08","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Cl2 Fe N4 O9 -","- C31 H29 Cl2 Fe N4 O9 -","- C124 H116 Cl8 Fe4 N16 O36 -","4","1","","Huffman, Lucy S. X.; Seshadri, Anjana; Hastings, Christopher D.; Brennessel, William W.; Franco, Ignacio; Barnett, Brandon R.","Assessing structure and dynamics of iron complexes supported by tris(amidate)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10719","10724","10.1039/d5dt01284h","","x-ray","1.54184","CuKα","","0.0363","0.0347","","","0.0939","0.095","","","","","","1.067","","","","has coordinates,has disorder","303726","2025-11-29","20:08:01",""
"7718920","10.52253","0.00005","20.51441","0.00012","21.90377","0.00012","90","","91.7336","0.0004","90","","4726.06","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H63 Fe K N4 O15 -","- C45 H63 Fe K N4 O15 -","- C180 H252 Fe4 K4 N16 O60 -","4","1","","Huffman, Lucy S. X.; Seshadri, Anjana; Hastings, Christopher D.; Brennessel, William W.; Franco, Ignacio; Barnett, Brandon R.","Assessing structure and dynamics of iron complexes supported by tris(amidate)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10719","10724","10.1039/d5dt01284h","","x-ray","1.54184","CuKα","","0.0373","0.0346","","","0.0905","0.0921","","","","","","1.118","","","","has coordinates,has disorder","303726","2025-11-29","20:08:01",""
"7718921","29.0306","0.0004","23.0834","0.0003","15.06554","0.00017","90","","98.9191","0.0011","90","","9973.7","0.2","100","0.11","100","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H75 F Fe N5 O9 -","- C49 H75 F Fe N5 O9 -","- C392 H600 F8 Fe8 N40 O72 -","8","2","","Huffman, Lucy S. X.; Seshadri, Anjana; Hastings, Christopher D.; Brennessel, William W.; Franco, Ignacio; Barnett, Brandon R.","Assessing structure and dynamics of iron complexes supported by tris(amidate)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10719","10724","10.1039/d5dt01284h","","x-ray","1.54184","CuKα","","0.0872","0.0514","","","0.1229","0.1406","","","","","","1.014","","","","has coordinates,has disorder","303726","2025-11-29","20:08:01",""
"7718922","11.039","0.003","9.72","0.002","18.931","0.004","90","","94.035","0.012","90","","2026.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 B10 N -","- C15 H29 B10 N -","- C60 H116 B40 N4 -","4","1","","Chan, Tek Long; Zhang, Jie; Xie, Zuowei","Carboranyl diphosphenes: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10946","10955","10.1039/d5dt01239b","","","0.71073","MoKα","","0.0688","0.0563","","","0.1702","0.1832","","","","","","1.058","","","","has coordinates","301588","2025-08-05","21:57:31",""
"7718923","17.3432","0.0005","13.8288","0.0004","17.5981","0.0005","90","","96.0648","0.0015","90","","4197","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H56 B20 N2 P2 -","- C30 H56 B20 N2 P2 -","- C120 H224 B80 N8 P8 -","4","0.5","","Chan, Tek Long; Zhang, Jie; Xie, Zuowei","Carboranyl diphosphenes: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10946","10955","10.1039/d5dt01239b","","","0.71073","MoKα","","0.0474","0.043","","","0.1241","0.1289","","","","","","1.033","","","","has coordinates","301588","2025-08-05","21:57:31",""
"7718924","12.8525","0.001","9.828","0.0009","17.1309","0.0015","90","","102.528","0.003","90","","2112.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 B10 Cl2 N P -","- C13 H24 B10 Cl2 N P -","- C52 H96 B40 Cl8 N4 P4 -","4","1","","Chan, Tek Long; Zhang, Jie; Xie, Zuowei","Carboranyl diphosphenes: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10946","10955","10.1039/d5dt01239b","","","0.71073","MoKα","","0.0488","0.0414","","","0.117","0.1249","","","","","","1.042","","","","has coordinates","301588","2025-08-05","21:57:31",""
"7718925","9.535","0.0002","14.5878","0.0003","17.7561","0.0004","83.8589","0.0011","78.2411","0.001","72.801","0.001","2306.94","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H56 B20 N2 P2 S -","- C33 H48 B20 N2 P2 S -","- C66 H96 B40 N4 P4 S2 -","2","1","","Chan, Tek Long; Zhang, Jie; Xie, Zuowei","Carboranyl diphosphenes: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10946","10955","10.1039/d5dt01239b","","","0.71073","MoKα","","0.078","0.0609","","","0.1764","0.2043","","","","","","1.036","","","","has coordinates","301588","2025-08-05","21:57:31",""
"7718926","27.2064","0.001","13.5763","0.0005","17.4248","0.0007","90","","90","","90","","6436.1","0.4","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C24 H36 B10 N O5 P W -","- C24 H36 B10 N O5 P W -","- C192 H288 B80 N8 O40 P8 W8 -","8","2","","Chan, Tek Long; Zhang, Jie; Xie, Zuowei","Carboranyl diphosphenes: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10946","10955","10.1039/d5dt01239b","","","0.71073","MoKα","","0.0366","0.0278","","","0.0601","0.0636","","","","","","1.014","","","","has coordinates","301588","2025-08-05","21:57:31",""
"7718927","10.1713","0.0005","13.3237","0.0007","17.0672","0.0008","90","","90","","90","","2312.9","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 B10 Cl2 N P -","- C15 H28 B10 Cl2 N P -","- C60 H112 B40 Cl8 N4 P4 -","4","1","","Chan, Tek Long; Zhang, Jie; Xie, Zuowei","Carboranyl diphosphenes: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10946","10955","10.1039/d5dt01239b","","","0.71073","MoKα","","0.0413","0.035","","","0.0917","0.0965","","","","","","1.044","","","","has coordinates","301588","2025-08-05","21:57:31",""
"7718928","11.8212","0.0009","12.4383","0.0009","13.9058","0.001","101.757","0.004","111.65","0.004","90.553","0.004","1852.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H25 B10 N -","- C13 H25 B10 N -","- C52 H100 B40 N4 -","4","2","","Chan, Tek Long; Zhang, Jie; Xie, Zuowei","Carboranyl diphosphenes: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10946","10955","10.1039/d5dt01239b","","","0.71073","MoKα","","0.0812","0.0551","","","0.1456","0.1631","","","","","","1.032","","","","has coordinates","301588","2025-08-05","21:57:31",""
"7718929","9.5492","0.0007","10.3148","0.0007","16.3944","0.0011","78.9043","0.0019","82.4481","0.0019","63.0611","0.0019","1410.88","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H28 B10 N O5 P W -","- C20 H28 B10 N O5 P W -","- C40 H56 B20 N2 O10 P2 W2 -","2","1","","Chan, Tek Long; Zhang, Jie; Xie, Zuowei","Carboranyl diphosphenes: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10946","10955","10.1039/d5dt01239b","","","0.71073","MoKα","","0.0235","0.0225","","","0.0667","0.0676","","","","","","1.09","","","","has coordinates","301588","2025-08-05","21:57:31",""
"7718930","6.8237","0.0004","12.375","0.0006","13.3867","0.0007","62.5184","0.0012","76.2236","0.0015","77.4227","0.0013","966.35","0.09","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H48 B20 N2 P2 -","- C26 H48 B20 N2 P2 -","- C26 H48 B20 N2 P2 -","1","0.5","","Chan, Tek Long; Zhang, Jie; Xie, Zuowei","Carboranyl diphosphenes: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10946","10955","10.1039/d5dt01239b","","","0.71073","MoKα","","0.064","0.0615","","","0.1611","0.1632","","","","","","1.052","","","","has coordinates","301588","2025-08-05","21:57:31",""
"7718931","9.8943","0.0002","10.6362","0.0002","14.9376","0.0003","109.77","0.001","100.403","0.0008","99.7809","0.0008","1409","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.5 H66 B20 N4 P2 -","- C43.5 H65.5 B20 N4 P2 -","- C43.5 H65.5 B20 N4 P2 -","1","0.5","","Chan, Tek Long; Zhang, Jie; Xie, Zuowei","Carboranyl diphosphenes: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10946","10955","10.1039/d5dt01239b","","","0.71073","MoKα","","0.0682","0.0591","","","0.1981","0.2141","","","","","","1.177","","","","has coordinates","301588","2025-08-05","21:57:31",""
"7718932","11.0337","0.0004","14.3195","0.0004","18.6017","0.0006","69.2438","0.0017","88.8003","0.0018","80.3112","0.0017","2706.67","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H34 B10 N O4 P -","- C19 H34 B10 N O4 P -","- C76 H136 B40 N4 O16 P4 -","4","2","","Chan, Tek Long; Zhang, Jie; Xie, Zuowei","Carboranyl diphosphenes: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10946","10955","10.1039/d5dt01239b","","","0.71073","MoKα","","0.0752","0.057","","","0.1635","0.1812","","","","","","1.068","","","","has coordinates","301588","2025-08-05","21:57:31",""
"7718933","11.049","0.0004","10.7827","0.0004","17.4623","0.0006","90","","105.611","0.002","90","","2003.68","0.13","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H25 B10 Cl N P -","- C13 H25 B10 Cl N P -","- C52 H100 B40 Cl4 N4 P4 -","4","1","","Chan, Tek Long; Zhang, Jie; Xie, Zuowei","Carboranyl diphosphenes: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10946","10955","10.1039/d5dt01239b","","","0.71073","MoKα","","0.0662","0.0514","","","0.14","0.1577","","","","","","1.042","","","","has coordinates","301588","2025-08-05","21:57:31",""
"7718934","23.6871","0.001","9.9333","0.0004","23.7877","0.0011","90","","105.983","0.0019","90","","5380.7","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H66 B20 N2 O P2 Si -","- C34 H66 B20 N2 O P2 Si -","- C136 H264 B80 N8 O4 P8 Si4 -","4","0.5","","Chan, Tek Long; Zhang, Jie; Xie, Zuowei","Carboranyl diphosphenes: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10946","10955","10.1039/d5dt01239b","","","0.71073","MoKα","","0.0868","0.0701","","","0.2039","0.2222","","","","","","1.131","","","","has coordinates","301588","2025-08-05","21:57:31",""
"7718935","34.3619","0.001","15.9738","0.0004","17.4739","0.0005","90","","93.8994","0.0016","90","","9569","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H66 B20 N2 P2 Si -","- C34 H66 B20 N2 P2 Si -","- C272 H528 B160 N16 P16 Si8 -","8","1","","Chan, Tek Long; Zhang, Jie; Xie, Zuowei","Carboranyl diphosphenes: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10946","10955","10.1039/d5dt01239b","","","0.71073","MoKα","","0.0808","0.0567","","","0.1478","0.1668","","","","","","1.023","","","","has coordinates","301588","2025-08-05","21:57:31",""
"7718936","14.9266","0.0007","16.7993","0.0008","24.6971","0.0013","90","","90","","90","","6193","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 N8 S2 Ti -","- C28 H36 N8 S2 Ti -","- C224 H288 N64 S16 Ti8 -","8","1","","Kracht, Felix; Mayer, Sophie; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Reactivity of titanium pyrazolates towards CO<sub>2</sub>, CS<sub>2</sub> and N<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10890","10897","10.1039/d5dt00957j","","","0.71073","MoKα","","0.0497","0.0381","","","0.0932","0.1015","","","","","","1.053","","","","has coordinates","301592","2025-08-05","22:00:49",""
"7718937","12.0147","0.0016","12.7078","0.0017","29.572","0.004","90","","92.721","0.003","90","","4510","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H50 N12 O9 Ti2 -","- C41 H50 N12 O9 Ti2 -","- C164 H200 N48 O36 Ti8 -","4","1","","Kracht, Felix; Mayer, Sophie; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Reactivity of titanium pyrazolates towards CO<sub>2</sub>, CS<sub>2</sub> and N<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10890","10897","10.1039/d5dt00957j","","","0.71073","MoKα","","0.0931","0.0502","","","0.1115","0.1316","","","","","","1.017","","","","has coordinates,has disorder","301592","2025-08-05","22:00:51",""
"7718938","10.2731","0.0003","13.7173","0.0004","18.296","0.0006","82.355","0.001","81.594","0.001","85.925","0.001","2524.38","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45.5 H60 N16 O6 Ti3 -","- C45.5 H60 N16 O6 Ti3 -","- C91 H120 N32 O12 Ti6 -","2","1","","Kracht, Felix; Mayer, Sophie; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Reactivity of titanium pyrazolates towards CO<sub>2</sub>, CS<sub>2</sub> and N<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10890","10897","10.1039/d5dt00957j","","","0.71073","MoKα","","0.0554","0.0413","","","0.1032","0.1126","","","","","","1.047","","","","has coordinates,has disorder","301592","2025-08-05","22:00:51",""
"7718939","13.996","0.004","15.781","0.005","27.295","0.008","90","","90","","90","","6029","3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C25.5 H32 N8 O4 Ti -","- C25.5 H32 N8 O4 Ti -","- C204 H256 N64 O32 Ti8 -","8","1","","Kracht, Felix; Mayer, Sophie; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Reactivity of titanium pyrazolates towards CO<sub>2</sub>, CS<sub>2</sub> and N<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10890","10897","10.1039/d5dt00957j","","","0.71073","MoKα","","0.0756","0.0606","","","0.1559","0.1641","","","","","","1.106","","","","has coordinates,has disorder","301592","2025-08-05","22:00:51",""
"7718940","19.2439","0.0011","19.2439","0.0011","19.2439","0.0011","90","","90","","90","","7126.5","0.7","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C66 H114 N12 O Ti2 -","- C66 H114 N12 O Ti2 -","- C264 H456 N48 O4 Ti8 -","4","0.166667","","Kracht, Felix; Mayer, Sophie; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Reactivity of titanium pyrazolates towards CO<sub>2</sub>, CS<sub>2</sub> and N<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10890","10897","10.1039/d5dt00957j","","","0.71073","MoKα","","0.1061","0.0923","","","0.2387","0.2466","","","","","","1.133","","","","has coordinates,has disorder","301592","2025-08-05","22:00:51",""
"7718941","28.975","0.004","23.619","0.003","43.439","0.006","90","","90","","90","","29728","7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C49 H73 N6 O4 Ti -","- C49 H73 N6 O4 Ti -","- C1176 H1752 N144 O96 Ti24 -","24","3","","Kracht, Felix; Mayer, Sophie; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Reactivity of titanium pyrazolates towards CO<sub>2</sub>, CS<sub>2</sub> and N<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10890","10897","10.1039/d5dt00957j","","","0.71073","MoKα","","0.1548","0.0844","","","0.176","0.2094","","","","","","1.039","","","","has coordinates","301592","2025-08-05","22:00:51",""
"7718942","16.3443","0.0012","8.0439","0.0006","9.1596","0.0007","90","","90","","90","","1204.23","0.16","297.82","0.18","297.82","0.18","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- Hg2 P2 S8 Zn -","- Hg2 P2 S8 Zn -","- Hg8 P8 S32 Zn4 -","4","0.5","","Tang, Chunlan; Yao, Aoge; Xing, Wenhao; Tang, Jian; Kang, Lei; Yin, Wenlong; Wu, Jieyun; Kang, Bin","Partial congener substitution induced wide band gap witnessed in diamond-like chalcogenide ZnHg<sub>2</sub>P<sub>2</sub>S<sub>8</sub> and its second-order nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","10956","10960","10.1039/d5dt01124h","","x-ray","0.71073","MoKα","","0.028","0.0261","","","0.0649","0.0657","","","","","","1.04","","","","has coordinates,has disorder","301589","2025-08-05","21:57:45",""
"7718943","13.2755","0.0005","13.2994","0.0005","22.3069","0.001","90","","90","","90","","3938.4","0.3","150","0.1","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C31.98 H43.28 N5.33 O9.33 Zn -","- C22 H20 N2 O6 Zn -","- C88 H80 N8 O24 Zn4 -","4","1","","Clutterbuck, Katelyn M.; Windsor, Hunter J.; D'Alessandro, Deanna M; Lakhwani, Girish","Photoswitching chiroptical response in camphorate-based chiral metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11089","11094","10.1039/d5dt00814j","","x-ray","1.54184","CuKα","","0.1523","0.1168","","","0.3272","0.3643","","","","","","1.388","","","","has coordinates","301586","2025-08-05","21:55:47",""
"7718944","13.6882","0.0003","18.2052","0.0003","20.0158","0.0002","63.061","0.001","82.353","0.001","89.181","0.002","4401.11","0.14","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C157 H157 Cd4 N21 O40 -","- C136 H104 Cd4 N16 O32 -","- C136 H104 Cd4 N16 O32 -","1","1","","Clutterbuck, Katelyn M.; Windsor, Hunter J.; D'Alessandro, Deanna M; Lakhwani, Girish","Photoswitching chiroptical response in camphorate-based chiral metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11089","11094","10.1039/d5dt00814j","","x-ray","1.54184","CuKα","","0.1102","0.0991","","","0.2952","0.3088","","","","","","1.278","","","","has coordinates,has disorder","301586","2025-08-05","21:55:47",""
"7718945","8.3223","0.0007","11.0455","0.0009","12.2379","0.0008","69.66","0.003","76.132","0.003","69.725","0.003","980.32","0.13","290","","290","","","","","","","","","6","P -1","-P 1","2","","","","- C7 H22 F2 N9 O10 Sb -","- C7 H22 F2 N9 O10 Sb -","- C14 H44 F4 N18 O20 Sb2 -","2","1","","Zhang, Yunxiao; Xu, Guangsheng; Li, Ke; Jia, Wei; Dong, Xiaoyu","Structural chemistry of antimony(III) oxalates with lone pairs: polyhedral distortion [SbO<sub>4</sub>F<sub>2</sub>], π-conjugation [C<sub>2</sub>O<sub>4</sub>], and birefringence tuning.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11078","11083","10.1039/d5dt01253h","","","0.71073","MoKα","","0.052","0.0386","","","0.0741","0.0809","","","","","","1.056","","","","has coordinates","301585","2025-08-05","21:55:23",""
"7718946","8.6392","0.0005","9.8051","0.0005","11.7908","0.0006","90","","94.628","0.002","90","","995.52","0.09","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 F4 N4 O14 Sb2 -","- C6 H20 F4 N4 O14 Sb2 -","- C12 H40 F8 N8 O28 Sb4 -","2","0.5","","Zhang, Yunxiao; Xu, Guangsheng; Li, Ke; Jia, Wei; Dong, Xiaoyu","Structural chemistry of antimony(III) oxalates with lone pairs: polyhedral distortion [SbO<sub>4</sub>F<sub>2</sub>], π-conjugation [C<sub>2</sub>O<sub>4</sub>], and birefringence tuning.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11078","11083","10.1039/d5dt01253h","","x-ray","0.71073","MoKα","","0.0253","0.0226","","","0.0599","0.0623","","","","","","1.081","","","","has coordinates,has disorder","301585","2025-08-05","21:55:24",""
"7718947","13.5105","0.0009","22.184","0.0015","11.7721","0.0014","90","","107.134","0.0017","90","","3371.7","0.5","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C46 H45 N -","- C46 H45 N -","- C184 H180 N4 -","4","0.5","","Noor, Sadia; Stegman, Samantha; Palmer, Jacob B.; Dolinar, Brian S.","Unquenched orbital angular momentum in quasi-linear two-coordinate transition metal complexes featuring sterically bulky carbazole ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11495","11499","10.1039/d5dt00782h","","x-ray","0.71073","MoKα","K-L~3~","0.1078","0.0741","","","0.1364","0.1486","","","","","","1.126","","","","has coordinates","301597","2025-08-05","22:04:55",""
"7718948","11.9927","0.0009","12.5791","0.001","24.7232","0.0015","98.61","0.003","101.715","0.002","95.375","0.003","3581.1","0.5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C92 H88 Fe N2 -","- C92 H88 Fe N2 -","- C184 H176 Fe2 N4 -","2","1","","Noor, Sadia; Stegman, Samantha; Palmer, Jacob B.; Dolinar, Brian S.","Unquenched orbital angular momentum in quasi-linear two-coordinate transition metal complexes featuring sterically bulky carbazole ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11495","11499","10.1039/d5dt00782h","","x-ray","0.71073","MoKα","K-L~3~","0.1432","0.0922","","","0.2558","0.2807","","","","","","1.039","","","","has coordinates,has disorder","301597","2025-08-05","22:04:56",""
"7718949","12.0213","0.0005","12.5284","0.0004","24.5267","0.001","98.474","0.001","101.769","0.001","95.374","0.001","3547.5","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C92 H88 Co N2 -","- C92 H88 Co N2 -","- C184 H176 Co2 N4 -","2","1","","Noor, Sadia; Stegman, Samantha; Palmer, Jacob B.; Dolinar, Brian S.","Unquenched orbital angular momentum in quasi-linear two-coordinate transition metal complexes featuring sterically bulky carbazole ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11495","11499","10.1039/d5dt00782h","","x-ray","0.71073","MoKα","K-L~3~","0.1184","0.0578","","","0.1085","0.1272","","","","","","0.981","","","","has coordinates,has disorder","301597","2025-08-05","22:04:56",""
"7718950","11.891","0.0004","12.5457","0.0004","24.7931","0.0008","98.369","0.002","101.632","0.002","95.547","0.002","3553.7","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C92 H88 Mn N2 -","- C92 H88 Mn N2 -","- C184 H176 Mn2 N4 -","2","1","","Noor, Sadia; Stegman, Samantha; Palmer, Jacob B.; Dolinar, Brian S.","Unquenched orbital angular momentum in quasi-linear two-coordinate transition metal complexes featuring sterically bulky carbazole ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11495","11499","10.1039/d5dt00782h","","x-ray","0.71073","MoKα","K-L~3~","0.0888","0.0573","","","0.1089","0.119","","","","","","1.054","","","","has coordinates,has disorder","301597","2025-08-05","22:04:56",""
"7718951","15.697","0.002","16.444","0.002","32.89","0.004","90","","90","","90","","8489.6","1.8","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H54 Cl3 Co N6 O12 -","- C36 H54 Cl3 Co N6 O12 -","- C288 H432 Cl24 Co8 N48 O96 -","8","1","","Rogers, Nicola J.; Ashok Kumar, Chowan; Alexander, Carlson; Bowdery, Daniel; Pavlovskaya, Galina; Harvey, Peter","Macrocyclic transition-metal parashift complexes for MRI at clinical and pre-clinical magnetic fields.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11036","11046","10.1039/d5dt01149c","","","0.71073","MoKα","","0.0812","0.0717","","","0.2003","0.2089","","","","","","1.09","","","","has coordinates,has disorder","301591","2025-08-05","21:59:19",""
"7718952","11.458","0.0002","12.5503","0.0002","16.0052","0.0002","85.088","0.001","83.003","0.001","76.627","0.001","2218.55","0.06","100.05","0.16","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H50 Cl4 Cu N8 O17 -","- C36 H54 Cl4 Cu N8 O18 -","- C72 H108 Cl8 Cu2 N16 O36 -","2","1","","Rogers, Nicola J.; Ashok Kumar, Chowan; Alexander, Carlson; Bowdery, Daniel; Pavlovskaya, Galina; Harvey, Peter","Macrocyclic transition-metal parashift complexes for MRI at clinical and pre-clinical magnetic fields.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11036","11046","10.1039/d5dt01149c","","","1.54184","CuKα","","0.0453","0.0413","","","0.1091","0.1117","","","","","","1.025","","","","has coordinates","301591","2025-08-05","21:59:21",""
"7718953","15.0287","0.0003","11.9831","0.0002","33.9757","0.0007","90","","91.601","0.001","90","","6116.3","0.2","300","2","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Cl2 Cu N6 O8 -","- C27 H36 Cl2 Cu N6 O8 -","- C216 H288 Cl16 Cu8 N48 O64 -","8","2","","Rogers, Nicola J.; Ashok Kumar, Chowan; Alexander, Carlson; Bowdery, Daniel; Pavlovskaya, Galina; Harvey, Peter","Macrocyclic transition-metal parashift complexes for MRI at clinical and pre-clinical magnetic fields.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11036","11046","10.1039/d5dt01149c","","","0.71073","MoKα","","0.047","0.0443","","","0.1322","0.1348","","","","","","1.089","","","","has coordinates","301591","2025-08-05","21:59:29",""
"7718954","12.4242","0.001","12.5408","0.0011","16.2487","0.0015","82.332","0.004","76.998","0.003","83.372","0.003","2435.2","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40.55 H62 Cl6 Fe3 N6 O3 -","- C40.55 H62 Cl6 Fe3 N6 O3 -","- C81.1 H124 Cl12 Fe6 N12 O6 -","2","1","","Rogers, Nicola J.; Ashok Kumar, Chowan; Alexander, Carlson; Bowdery, Daniel; Pavlovskaya, Galina; Harvey, Peter","Macrocyclic transition-metal parashift complexes for MRI at clinical and pre-clinical magnetic fields.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11036","11046","10.1039/d5dt01149c","","","0.71073","MoKα","","0.0575","0.0424","","","0.1059","0.1159","","","","","","1.069","","","","has coordinates,has disorder","301591","2025-08-05","21:59:29",""
"7718955","10.70786","0.00008","31.0143","0.0003","16.12782","0.00014","90","","101.618","0.0008","90","","5246.26","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H72 Cl4 Co2 N8 O -","- C49 H72 Cl4 Co2 N8 O -","- C196 H288 Cl16 Co8 N32 O4 -","4","1","","Rogers, Nicola J.; Ashok Kumar, Chowan; Alexander, Carlson; Bowdery, Daniel; Pavlovskaya, Galina; Harvey, Peter","Macrocyclic transition-metal parashift complexes for MRI at clinical and pre-clinical magnetic fields.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11036","11046","10.1039/d5dt01149c","","x-ray","1.54184","CuKα","","0.0573","0.0505","","","0.144","0.1496","","","","","","1.079","","","","has coordinates,has disorder","301591","2025-08-05","21:59:29",""
"7718956","14.8189","0.0007","11.8401","0.0005","33.4481","0.0015","90","","91.67","0.002","90","","5866.2","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Cl2 N6 Ni O8 -","- C27 H36 Cl2 N6 Ni O8 -","- C216 H288 Cl16 N48 Ni8 O64 -","8","2","","Rogers, Nicola J.; Ashok Kumar, Chowan; Alexander, Carlson; Bowdery, Daniel; Pavlovskaya, Galina; Harvey, Peter","Macrocyclic transition-metal parashift complexes for MRI at clinical and pre-clinical magnetic fields.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11036","11046","10.1039/d5dt01149c","","","0.71073","MoKα","","0.1103","0.0883","","","0.155","0.1632","","","","","","1.237","","","","has coordinates","301591","2025-08-05","21:59:29",""
"7718957","15.0523","0.0003","12.0637","0.0002","33.9291","0.0006","90","","91.44","0.001","90","","6159.12","0.19","302","","302","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Cl2 N6 O8 Zn -","- C27 H36 Cl2 N6 O8 Zn -","- C216 H288 Cl16 N48 O64 Zn8 -","8","2","","Rogers, Nicola J.; Ashok Kumar, Chowan; Alexander, Carlson; Bowdery, Daniel; Pavlovskaya, Galina; Harvey, Peter","Macrocyclic transition-metal parashift complexes for MRI at clinical and pre-clinical magnetic fields.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11036","11046","10.1039/d5dt01149c","","","0.71073","MoKα","","0.0485","0.0453","","","0.1368","0.1408","","","","","","1.043","","","","has coordinates","301591","2025-08-05","21:59:29",""
"7718958","5.4254","0.0002","9.4114","0.0003","15.2643","0.0004","85.187","0.002","82.27","0.002","82.405","0.003","763.81","0.04","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C11 H24 N O5 P Zn -","- C11 H24 N O5 P Zn -","- C22 H48 N2 O10 P2 Zn2 -","2","1","","Arya, Harsha; Murugavel, Ramaswamy","1D polymeric and 2D layered zinc monoalkyl phosphates bearing long alkyl chains: synthesis, structural transformations and thermal behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11232","11245","10.1039/d5dt00783f","","x-ray","0.71073","MoKα","","0.0292","0.0272","","","0.0655","0.067","","","","","","1.018","","","","has coordinates","301584","2025-08-05","21:55:08",""
"7718959","5.4197","0.0002","9.3778","0.0004","13.3722","0.0005","83.203","0.003","88.754","0.003","82.318","0.003","668.79","0.05","107","4","107","4","","","","","","","","6","P -1","-P 1","2","","","","- C9 H20 N O5 P Zn -","- C9 H20 N O5 P Zn -","- C18 H40 N2 O10 P2 Zn2 -","2","1","","Arya, Harsha; Murugavel, Ramaswamy","1D polymeric and 2D layered zinc monoalkyl phosphates bearing long alkyl chains: synthesis, structural transformations and thermal behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11232","11245","10.1039/d5dt00783f","","x-ray","0.71073","MoKα","","0.0235","0.0225","","","0.0516","0.052","","","","","","1.053","","","","has coordinates","301584","2025-08-05","21:55:09",""
"7718960","5.4672","0.0015","9.644","0.003","12.603","0.004","100.91","0.01","100.241","0.01","100.417","0.009","626.1","0.3","115","2","115","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H36 Mo2 O8 -","- C20 H36 Mo2 O8 -","- C20 H36 Mo2 O8 -","1","0.5","","Gersib, Simon G.; Subasinghe, S. M. Supundrika; Mankad, Neal P.","Solubilizing dimolybdenum paddlewheel complexes for energy storage applications.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10546","10548","10.1039/d5dt01246e","","","0.71073","MoKα","","0.1131","0.081","","","0.1974","0.2202","","","","","","1.027","","","","has coordinates","303733","2025-11-29","20:13:24",""
"7718961","5.4859","0.0004","9.506","0.0007","15.6945","0.0011","96.742","0.002","98.062","0.002","99.026","0.002","792.15","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H51 Mo2 O8 -","- C28 H51.002 Mo2 O8 -","- C28 H51.002 Mo2 O8 -","1","0.5","","Gersib, Simon G.; Subasinghe, S. M. Supundrika; Mankad, Neal P.","Solubilizing dimolybdenum paddlewheel complexes for energy storage applications.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10546","10548","10.1039/d5dt01246e","","","0.71073","MoKα","","0.0623","0.0454","","","0.0915","0.1077","","","","","","1.192","","","","has coordinates,has disorder","303733","2025-11-29","20:13:25",""
"7718962","47.679","0.011","11.018","0.002","18.843","0.004","90","","92.854","0.009","90","","9886","4","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C42 H51 B2 F8 Li2 Mo2 N4 O12.5 -","- C40 H47 B2 F8 Li2 Mo2 N4 O12 -","- C320 H376 B16 F64 Li16 Mo16 N32 O96 -","8","1","","Gersib, Simon G.; Subasinghe, S. M. Supundrika; Mankad, Neal P.","Solubilizing dimolybdenum paddlewheel complexes for energy storage applications.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10546","10548","10.1039/d5dt01246e","","","0.71073","MoKα","","0.0289","0.0269","","","0.0666","0.0679","","","","","","1.042","","","","has coordinates,has disorder","303733","2025-11-29","20:13:25",""
"7718963","10.469","0.0009","11.5048","0.0009","15.7129","0.0012","90","","90","","90","","1892.5","0.3","300","2","299.98","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H18 Co I4 N4 S -","- C4 H18 Co I4 N4 S -","- C16 H72 Co4 I16 N16 S4 -","4","1","","Ohmi, Takuya; Ito, Ryuju; Nikolaev, Sergey A.; Fujii, Kotaro; Oswald, Iain W. H.; Matsushima, Koki; Nakamura, Yuiga; Neilson, James R.; Yashima, Masatomo; Azuma, Masaki; Yamamoto, Takafumi","Effects of the anion exchange between I<sup>-</sup> and NCS<sup>-</sup> coordinated to Co<sup>2+</sup>-centered tetrahedra in the organic-inorganic hybrid halides.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10773","10780","10.1039/d5dt00924c","","","0.71073","MoKα","","0.0532","0.0442","","","0.1012","0.1052","","","","","","1.119","","","","has coordinates","303732","2025-11-29","20:12:57",""
"7718964","9.6359","0.0001","9.6359","0.0001","9.6359","0.0001","90","","90","","90","","894.699","0.016","100","2","100.15","","","","","","","","","4","I -4 3 m","I -4 2 3","217","Methylammonium cobalt thiocyanate","","","- C8 Co2 N8 S8 -","- C8 Co2 N8 S8 -","- C8 Co2 N8 S8 -","1","0.0208333","","Ohmi, Takuya; Ito, Ryuju; Nikolaev, Sergey A.; Fujii, Kotaro; Oswald, Iain W. H.; Matsushima, Koki; Nakamura, Yuiga; Neilson, James R.; Yashima, Masatomo; Azuma, Masaki; Yamamoto, Takafumi","Effects of the anion exchange between I<sup>-</sup> and NCS<sup>-</sup> coordinated to Co<sup>2+</sup>-centered tetrahedra in the organic-inorganic hybrid halides.","Dalton transactions (Cambridge, England : 2003)","2025","54","27","10773","10780","10.1039/d5dt00924c","","","0.4132","synchrotron","","0.063","0.0517","","","0.1132","0.121","","","","","","0.9596","","","","has coordinates","303732","2025-11-29","20:12:59",""
"7718965","9.6149","0.0005","13.1277","0.0007","15.2214","0.0009","95.01","0.001","94.046","0.001","110.962","0.001","1776.53","0.17","173","2","100.15","","","","","","","","","4","P -1","-P 1","2","","HP_dimer","","- C36 H32 Fe2 N16 -","- C36 H32 Fe2 N16 -","- C72 H64 Fe4 N32 -","2","1","","Phan, Hoa; Thai, Kieu Thuy Thi; Funakoshi, Nobuto; Tran, Huyen Thu Thi; Yamashita, Masahiro; Shatruk, Michael","A strongly hydrogen-bonded one-dimensional high-spin dinuclear Fe(II) complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12749","12753","10.1039/d5dt01007a","","","0.71073","MoKα","","0.0503","0.0369","","","0.0894","0.0952","","","","","","1.0364","","","","has coordinates","302677","2025-10-06","09:43:19",""
"7718966","18.749","0.004","19.12","0.004","20.296","0.004","104.25","0.03","91.45","0.03","98.27","0.03","6965","3","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C148 H116 Cd2 F16 Ir4 N20 O28 -","- C139 H79 Cd2 F16 Ir4 N17 O17 -","- C278 H158 Cd4 F32 Ir8 N34 O34 -","2","1","","Hong, Zhejun; Siripanich, Pattara; Stansfield, Oliver G.; Hall, Christopher R.; Connell, Timothy U.; Hua, Carol","Coordination polymers with iridium(III) metalloligands: the effect of pore size upon luminescent cation sensing.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11656","11666","10.1039/d5dt00813a","","","0.71073","Synchrotron","","0.0529","0.0496","","","0.1305","0.1329","","","","","","1.056","","","","has coordinates","301604","2025-08-05","22:09:22",""
"7718967","17.229","0.0003","13.087","0.0002","32.8383","0.0005","90","","90","","90","","7404.2","0.2","270","0.12","270","0.12","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C77 H72 Cd Ir2 N11 O15 -","- C71 H50 Cd Ir2 N9 O9 -","- C284 H200 Cd4 Ir8 N36 O36 -","4","1","","Hong, Zhejun; Siripanich, Pattara; Stansfield, Oliver G.; Hall, Christopher R.; Connell, Timothy U.; Hua, Carol","Coordination polymers with iridium(III) metalloligands: the effect of pore size upon luminescent cation sensing.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11656","11666","10.1039/d5dt00813a","","x-ray","1.54184","CuKα","","0.0732","0.0693","","","0.179","0.1832","","","","","","1.04","","","","has coordinates","301604","2025-08-05","22:09:35",""
"7718968","8.49","0.0017","35.89","0.007","10.98","0.002","90","","99","0.03","90","","3304.5","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H64 Cd Ir2 N8 O18 -","- C68 H64 Cd Ir2 N8 O18 -","- C136 H128 Cd2 Ir4 N16 O36 -","2","0.5","","Hong, Zhejun; Siripanich, Pattara; Stansfield, Oliver G.; Hall, Christopher R.; Connell, Timothy U.; Hua, Carol","Coordination polymers with iridium(III) metalloligands: the effect of pore size upon luminescent cation sensing.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11656","11666","10.1039/d5dt00813a","","","0.71073","MoKα","","0.0539","0.0505","","","0.1393","0.1424","","","","","","1.061","","","","has coordinates","301604","2025-08-05","22:09:35",""
"7718969","37.02","0.007","10.917","0.002","18.882","0.004","90","","90","","90","","7631","3","100","0.2","100","0.2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C43.25 H34.25 Cd0.5 Ir N5.75 O5.75 S2 -","- C41 H29 Cd0.5 Ir N5 O5 S2 -","- C328 H232 Cd4 Ir8 N40 O40 S16 -","8","1","","Hong, Zhejun; Siripanich, Pattara; Stansfield, Oliver G.; Hall, Christopher R.; Connell, Timothy U.; Hua, Carol","Coordination polymers with iridium(III) metalloligands: the effect of pore size upon luminescent cation sensing.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11656","11666","10.1039/d5dt00813a","","","0.71073","Synchrotron","","0.0327","0.0291","","","0.0834","0.0861","","","","","","1.043","","","","has coordinates","301604","2025-08-05","22:09:35",""
"7718970","11.469","0.003","20.275","0.006","20.283","0.006","110.989","0.01","94.424","0.009","92.206","0.009","4379","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H81 N4 Ni2 O12 -","- C108 H81 N4 Ni2 O12 -","- C216 H162 N8 Ni4 O24 -","2","1","","Baig, K. Mohamed Yusuf; Marimuthu, Sundaramoorthy; Maduraiveeran, Govindhan; Kole, Goutam Kumar","One-dimensional nickel(II) coordination polymers of 9-anthracenyl-4'-benzoate and bispyridyl linkers as efficient electrocatalysts for hydrogen and oxygen evolution reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11025","11035","10.1039/d5dt00760g","","","0.71073","MoKα","","0.1025","0.0698","","","0.182","0.2223","","","","","","1.139","","","","has coordinates,has disorder","301594","2025-08-05","22:01:50",""
"7718971","9.4915","0.0011","7.7578","0.0009","31.3","0.003","90","","96.585","0.004","90","","2289.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 N4 Ni O8 -","- C54 H40 N4 Ni O8 -","- C108 H80 N8 Ni2 O16 -","2","0.5","","Baig, K. Mohamed Yusuf; Marimuthu, Sundaramoorthy; Maduraiveeran, Govindhan; Kole, Goutam Kumar","One-dimensional nickel(II) coordination polymers of 9-anthracenyl-4'-benzoate and bispyridyl linkers as efficient electrocatalysts for hydrogen and oxygen evolution reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11025","11035","10.1039/d5dt00760g","","","0.71073","MoKα","","0.0629","0.0567","","","0.1353","0.1389","","","","","","1.177","","","","has coordinates","301594","2025-08-05","22:01:51",""
"7718972","26.2107","0.0013","13.7415","0.0006","13.365","0.0008","90","","109.975","0.002","90","","4524.1","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 N2 Ni O6 -","- C56 H44 N2 Ni O6 -","- C224 H176 N8 Ni4 O24 -","4","0.5","","Baig, K. Mohamed Yusuf; Marimuthu, Sundaramoorthy; Maduraiveeran, Govindhan; Kole, Goutam Kumar","One-dimensional nickel(II) coordination polymers of 9-anthracenyl-4'-benzoate and bispyridyl linkers as efficient electrocatalysts for hydrogen and oxygen evolution reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11025","11035","10.1039/d5dt00760g","","","0.71073","MoKα","","0.0537","0.0435","","","0.1209","0.1375","","","","","","1.117","","","","has coordinates","301594","2025-08-05","22:01:51",""
"7718973","11.1836","0.0001","8.8869","0.0001","23.203","0.0002","90","","90","","90","","2306.09","0.04","300.15","","300.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H9 K N O3 S2 -","- C8 H9 K N O3 S2 -","- C64 H72 K8 N8 O24 S16 -","8","1","","Carvalho, Lucas Raposo; de Souza Bozzi, Aline; Faria, Wanessa Maria Alves; Venturelli, Lucas Gil; Esteves, Túlio Duque; Duarte, Sâmia Sousa; de Souza, Ramon Ramos Marques; Castro, Isione Oliveira; Filho, Eclair Venturini; Diniz, Renata; Sobral, Marianna Vieira; Rocha, Willian Ricardo; Tavares, Eder do Couto","In(III) complexes of sulfonyldithiocarbimates as selective antineoplasic agents against human colorectal adenocarcinoma.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11207","11224","10.1039/d5dt00868a","","x-ray","1.54184","CuKα","","0.0412","0.0398","","","0.1101","0.1114","","","","","","1.061","","","","has coordinates","301581","2025-08-05","21:54:22",""
"7718974","10.6073","0.0002","11.5933","0.0002","11.0071","0.0002","90","","99.432","0.002","90","","1335.28","0.04","298","","298","","","","","","","","","6","P 1 n 1","P -2yac","7","Fe3","Fe3","","- C29 H24 Cl Fe N4 O6 -","- C29 H24 Cl Fe N4 O6 -","- C58 H48 Cl2 Fe2 N8 O12 -","2","1","","Singh, Ishwar; Rai, Rohit; Kushwaha, Rajesh; Dhar, Prodyut; Banerjee, Samya","Photoactivated antibacterial activity of Fe(III) complexes <i>via</i> singlet oxygen-mediated bacterial membrane lysis.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11174","11181","10.1039/d5dt01300c","","x-ray","1.54184","CuKα","","0.0458","0.0407","","","0.1088","0.1138","","","","","","1.056","","","","has coordinates","301582","2025-08-05","21:54:40",""
"7718975","10.6055","0.0005","10.6055","0.0005","13.8678","0.0009","90","","90","","120","","1350.83","0.13","296.15","","296.15","","","","","","","","","4","P -3","-P 3","147","","ClCs9Se20Si8","","- Cl Cs9 Se20 Si8 -","- Cl Cs9 Se20 Si8 -","- Cl Cs9 Se20 Si8 -","1","0.166667","","Zheng, Guansong; Zhao, Wang; Wu, Xiaoyu; Wang, Hongshan; Du, Yinxia; Lu, Juanjuan; Zhou, Xiao-Dong; Li, Junjie","A wide band gap selenohalide Cs<sub>9</sub>Si<sub>8</sub>Se<sub>20</sub>Cl with unprecedented [CsSe<sub>7</sub>Cl] mixed anionic units.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11601","11606","10.1039/d5dt01021g","","","0.71073","MoKα","","0.0574","0.0341","","","0.0558","0.0634","","","","","","1.0025","","","","has coordinates","301605","2025-08-05","22:09:52",""
"7718976","25.226","0.002","13.9949","0.0012","15.0352","0.0012","90","","100.896","0.002","90","","5212.3","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H19.8 Ce N4 O11 -","- C11 H5.806 Ce N2 O9 -","- C88 H46.448 Ce8 N16 O72 -","8","1","","Kumar, Yogesh; Panday, Rishukumar; Banerjee, Shaibal","Amino-functionalized cerium based MOF for sustainable CO<sub>2</sub> fixation into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11306","11314","10.1039/d5dt00825e","","","0.71073","MoKα","","0.0677","0.0564","","","0.1505","0.1623","","","","","","1.057","","","","has coordinates,has disorder","301583","2025-08-05","21:54:54",""
"7718977","16.4372","0.0018","18.2654","0.0008","33.6006","0.0008","90","","95.115","0.008","90","","10047.8","1.2","103","","103","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C84 H46 N12 Na4 Ni4 O15 S8 -","- C84 H46 N12 Na4 Ni4 O15 S8 -","- C336 H184 N48 Na16 Ni16 O60 S32 -","4","0.5","","Diószegi, Róbert; May, Nóra V; Fábián, István; Lihi, Norbert","Are thiophenol based small molecular weight nickel complexes sufficient mimics of the NiSOD enzyme?","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11434","11443","10.1039/d5dt01180a","","","0.71073","MoKα","","0.1207","0.1074","","","0.2218","0.229","","","","","","1.0536","","","","has coordinates,has disorder","301576","2025-08-05","21:53:02",""
"7718978","17.3307","0.0003","4.9939","0.0001","19.0125","0.0003","90","","105.164","0.002","90","","1588.2","0.05","100","0.13","100","0.13","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-hydroxy-7-acetoxy-2-(4-[acetoxy]phenyl)-4H-1-benzopyran-4-one","","- C19 H14 O7 -","- C19 H14 O7 -","- C76 H56 O28 -","4","1","","Milovanović, Milan R; Nikolić, Stefan R; Dupé, Antoine; Schachner, Jörg A; Mihajlović, Ljiljana E","Oxidorhenium(V) complexes of apigenin: a rare example of catalysis with <i>O</i>,<i>O</i>-bidentate ligands obtained from a naturally renewable resource.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11047","11055","10.1039/d5dt01095k","","x-ray","1.54184","CuKα","","0.0433","0.038","","","0.1044","0.1083","","","","","","1.067","","","","has coordinates,has disorder","301587","2025-08-05","21:56:25",""
"7718979","9.7314","0.0004","11.1929","0.0004","15.6391","0.0006","93.894","0.002","107.285","0.002","114.247","0.002","1447.31","0.1","99.96","","99.96","","","","","","","","","6","P -1","-P 1","2","","(triphenylphosphine)-[7-hydroxy-5-oxido-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-onato]-dichlorido-oxido-rhenium(V)","","- C33 H24 Cl2 O6 P Re -","- C33 H24 Cl2 O6 P Re -","- C66 H48 Cl4 O12 P2 Re2 -","2","1","","Milovanović, Milan R; Nikolić, Stefan R; Dupé, Antoine; Schachner, Jörg A; Mihajlović, Ljiljana E","Oxidorhenium(V) complexes of apigenin: a rare example of catalysis with <i>O</i>,<i>O</i>-bidentate ligands obtained from a naturally renewable resource.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11047","11055","10.1039/d5dt01095k","","","0.71073","MoKα","","0.024","0.0231","","","0.0599","0.0605","","","","","","1.104","","","","has coordinates","301587","2025-08-05","21:56:28",""
"7718980","8.0767","0.0002","12.8778","0.0004","13.8344","0.0005","96.519","0.002","100.786","0.002","101.326","0.002","1369","0.08","99.98","0.16","99.98","0.16","","","","","","","","4","P -1","-P 1","2","","5-hydroxy-7-{[t-butyl(dimethyl)silyl]oxy}-2-(4-{[t-butyl(dimethyl)silyl]oxy}-phenyl)-4H-1-benzopyran-4-one","","- C27 H38 O5 Si2 -","- C27 H38 O5 Si2 -","- C54 H76 O10 Si4 -","2","1","","Milovanović, Milan R; Nikolić, Stefan R; Dupé, Antoine; Schachner, Jörg A; Mihajlović, Ljiljana E","Oxidorhenium(V) complexes of apigenin: a rare example of catalysis with <i>O</i>,<i>O</i>-bidentate ligands obtained from a naturally renewable resource.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11047","11055","10.1039/d5dt01095k","","x-ray","0.71073","MoKα","","0.0872","0.0647","","","0.1794","0.1945","","","","","","1.043","","","","has coordinates","301587","2025-08-05","21:56:28",""
"7718981","10.5286","0.0001","13.1593","0.0001","19.4627","0.0001","74.206","0.001","79.446","0.001","66.519","0.001","2371.33","0.04","99.99","0.1","99.99","0.1","","","","","","","","7","P -1","-P 1","2","","(triphenylphosphine)-[7-{[t-butyl(dimethyl)silyl]oxy}-5-oxido-2-(4-{[t-butyl(dimethyl)silyl]oxy}phenyl)-4H-1-benzopyran-4-onato]-dichlorido-oxido-rhenium(V) acetone solvate 2:1","","- C46.5 H55 Cl2 O6.5 P Re Si2 -","- C45 H52 Cl2 O6 P Re Si2 -","- C90 H104 Cl4 O12 P2 Re2 Si4 -","2","1","","Milovanović, Milan R; Nikolić, Stefan R; Dupé, Antoine; Schachner, Jörg A; Mihajlović, Ljiljana E","Oxidorhenium(V) complexes of apigenin: a rare example of catalysis with <i>O</i>,<i>O</i>-bidentate ligands obtained from a naturally renewable resource.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11047","11055","10.1039/d5dt01095k","","x-ray","1.54184","CuKα","","0.0264","0.0253","","","0.0608","0.0614","","","","","","1.046","","","","has coordinates","301587","2025-08-05","21:56:28",""
"7718982","9.4722","0.0004","21.1056","0.001","21.4236","0.001","109.16","0.001","91.394","0.001","101.328","0.001","3948.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","(triphenylphosphine)-[7-acetoxy-5-oxido-2-(4-acetoxyphenyl)-4H-1-benzopyran-4-onato]-dichlorido-oxido-rhenium(V)","","- C38 H29 Cl5 O8 P Re -","- C38.0002 H29.0002 Cl5.0006 O8 P Re -","- C152.001 H116.001 Cl20.0024 O32 P4 Re4 -","4","2","","Milovanović, Milan R; Nikolić, Stefan R; Dupé, Antoine; Schachner, Jörg A; Mihajlović, Ljiljana E","Oxidorhenium(V) complexes of apigenin: a rare example of catalysis with <i>O</i>,<i>O</i>-bidentate ligands obtained from a naturally renewable resource.","Dalton transactions (Cambridge, England : 2003)","2025","54","28","11047","11055","10.1039/d5dt01095k","","","1.34139","GaKα","","0.0269","0.0261","","","0.0639","0.0643","","","","","","1.104","","","","has coordinates,has disorder","301587","2025-08-05","21:56:28",""
"7718983","10.9335","0.0016","14.234","0.002","18.782","0.003","82.252","0.005","79.018","0.005","68.513","0.004","2663.3","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H65 Cl Co N3 S3 -","- C47 H65 Cl Co N3 S3 -","- C94 H130 Cl2 Co2 N6 S6 -","2","1","","Das, Sujit; Mondal, Sangita; Suthar, Sonam; Ray, Ranay Kumar; Mondal, Karunamayee; Raveendran, Avany A.; Ahamed, Subuhan; Maji, Chandan; Baidya, Mahiuddin; Schwarz, Björn; Chakraborty, Debashis; Ungur, Liviu; Mondal, Kartik Chandra","Isolation and characterization of carbene-supported air stable Co(II)-radical complexes with bileptic redox non-innocent ligands: stability, bonding, ring-opening copolymerization studies and photo-catalytic ring cyclization activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11182","11192","10.1039/d5dt00727e","","","0.71073","MoKα","","0.0632","0.0442","","","0.128","0.1411","","","","","","0.925","","","","has coordinates","301580","2025-08-05","21:54:07",""
"7718984","17.8203","0.0008","26.8357","0.0014","10.3438","0.0005","90","","90","","90","","4946.6","0.4","300","2","300","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C47 H65 Cl Co N3 S2 Se -","- C47 H65 Cl Co N3 S2 Se -","- C188 H260 Cl4 Co4 N12 S8 Se4 -","4","1","","Das, Sujit; Mondal, Sangita; Suthar, Sonam; Ray, Ranay Kumar; Mondal, Karunamayee; Raveendran, Avany A.; Ahamed, Subuhan; Maji, Chandan; Baidya, Mahiuddin; Schwarz, Björn; Chakraborty, Debashis; Ungur, Liviu; Mondal, Kartik Chandra","Isolation and characterization of carbene-supported air stable Co(II)-radical complexes with bileptic redox non-innocent ligands: stability, bonding, ring-opening copolymerization studies and photo-catalytic ring cyclization activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11182","11192","10.1039/d5dt00727e","","","0.71073","MoKα","","0.1318","0.0612","","","0.1416","0.1783","","","","","","1.028","","","","has coordinates,has disorder","301580","2025-08-05","21:54:08",""
"7718985","19.056","0.003","18.248","0.003","28.434","0.005","90","","90","","90","","9887","3","300","2","300","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H65 Cl Co N3 S3 -","- C47 H65 Cl Co N3 S3 -","- C376 H520 Cl8 Co8 N24 S24 -","8","1","","Das, Sujit; Mondal, Sangita; Suthar, Sonam; Ray, Ranay Kumar; Mondal, Karunamayee; Raveendran, Avany A.; Ahamed, Subuhan; Maji, Chandan; Baidya, Mahiuddin; Schwarz, Björn; Chakraborty, Debashis; Ungur, Liviu; Mondal, Kartik Chandra","Isolation and characterization of carbene-supported air stable Co(II)-radical complexes with bileptic redox non-innocent ligands: stability, bonding, ring-opening copolymerization studies and photo-catalytic ring cyclization activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11182","11192","10.1039/d5dt00727e","","","0.71073","MoKα","","0.2076","0.0805","","","0.1297","0.1796","","","","","","1.042","","","","has coordinates,has disorder","301580","2025-08-05","21:54:08",""
"7718986","13.6303","0.0013","17.616","0.0013","34.7425","0.0019","90","","90","","90","","8342.1","1.1","100","2","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H35 F13 N6 O P2 Zn -","- C47 H35 F13 N6 O P2 Zn -","- C376 H280 F104 N48 O8 P16 Zn8 -","8","1","","Ma, Jianjun; Yu, Hao; Zhang, Ning; Shi, Junjuan; Li, Jiaqi; Li, Kehuan; Han, Ningxu; Zhang, Houyu; Chang, Junmin; Wang, Ming","Stereoisomers of metal-organic dimers induced by the steric constraint of dissymmetric terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11632","11637","10.1039/d5dt00948k","","","0.71076","MoKα","","0.0611","0.0545","","","0.1531","0.1602","","","","","","1.086","","","","has coordinates,has disorder","301606","2025-08-05","22:10:36",""
"7718987","11.1087","0.0007","20.4135","0.0014","21.1137","0.0013","87.193","0.002","78.443","0.002","87.337","0.001","4681.9","0.5","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C H F N O P Zn -","- C5.4 H4.85 F1.2 N0.6 O0.2 P0.2 Zn0.1 -","- C216 H194 F48 N24 O8 P8 Zn4 -","40","20","","Ma, Jianjun; Yu, Hao; Zhang, Ning; Shi, Junjuan; Li, Jiaqi; Li, Kehuan; Han, Ningxu; Zhang, Houyu; Chang, Junmin; Wang, Ming","Stereoisomers of metal-organic dimers induced by the steric constraint of dissymmetric terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11632","11637","10.1039/d5dt00948k","","","0.68877","","","0.1979","0.1651","","","0.4662","0.5112","","","","","","2.402","","","","has coordinates","301606","2025-08-05","22:10:36",""
"7718988","27.044","0.004","35.761","0.005","19.546","0.003","90","","90","","90","","18903","5","293","2","293","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C84 H56 F18 N12 O2 P3 Zn2 -","- C84 H56 F18 N12 O2 P3 Zn2 -","- C672 H448 F144 N96 O16 P24 Zn16 -","8","0.5","","Ma, Jianjun; Yu, Hao; Zhang, Ning; Shi, Junjuan; Li, Jiaqi; Li, Kehuan; Han, Ningxu; Zhang, Houyu; Chang, Junmin; Wang, Ming","Stereoisomers of metal-organic dimers induced by the steric constraint of dissymmetric terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11632","11637","10.1039/d5dt00948k","","","0.71073","MoKα","","0.1012","0.077","","","0.2493","0.2754","","","","","","1.08","","","","has coordinates,has disorder","301606","2025-08-05","22:10:37",""
"7718989","15.4205","0.001","15.9087","0.001","21.4828","0.0014","73.95","0.003","80.852","0.003","76.31","0.003","4896.1","0.6","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C98 H78 F24 N18 O2 P4 Zn2 -","- C98 H78 F24 N18 O2 P4 Zn2 -","- C196 H156 F48 N36 O4 P8 Zn4 -","2","1","","Ma, Jianjun; Yu, Hao; Zhang, Ning; Shi, Junjuan; Li, Jiaqi; Li, Kehuan; Han, Ningxu; Zhang, Houyu; Chang, Junmin; Wang, Ming","Stereoisomers of metal-organic dimers induced by the steric constraint of dissymmetric terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11632","11637","10.1039/d5dt00948k","","","0.71073","MoKα","","0.1153","0.0698","","","0.1486","0.1782","","","","","","1.118","","","","has coordinates,has disorder","301606","2025-08-05","22:10:37",""
"7718990","46.834","0.002","5.5718","0.0002","49.959","0.002","90","","116.941","0.006","90","","11621.9","1","140","0.1","140","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H40 O6 -","- C33 H40 O6 -","- C528 H640 O96 -","16","8","","Pagliaricci, Sara; Pagliaricci, Noemi; Tombesi, Alessia; Pettinari, Claudio; Cuccioloni, Massimiliano; Juricic, Helena; Galindo, Agustín; Fadaei-Tirani, Farzaneh; Pettinari, Riccardo; Marchetti, Fabio","Ruthenium(II)-bisdemethoxycurcumin conjugate complexes as potent antitumour agents through simultaneous inhibition of 20S proteasome and HMG-CoA reductase.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11324","11336","10.1039/d5dt01240f","","x-ray","1.54184","CuKα","","0.1934","0.107","","","0.2675","0.3317","","","","","","1.032","","","","has coordinates","301574","2025-08-05","21:51:18",""
"7718991","18.62759","0.00017","5.9444","0.00006","25.1312","0.0002","90","","101.203","0.0009","90","","2729.75","0.04","140","0.1","140","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 O6 -","- C31 H36 O6 -","- C124 H144 O24 -","4","1","","Pagliaricci, Sara; Pagliaricci, Noemi; Tombesi, Alessia; Pettinari, Claudio; Cuccioloni, Massimiliano; Juricic, Helena; Galindo, Agustín; Fadaei-Tirani, Farzaneh; Pettinari, Riccardo; Marchetti, Fabio","Ruthenium(II)-bisdemethoxycurcumin conjugate complexes as potent antitumour agents through simultaneous inhibition of 20S proteasome and HMG-CoA reductase.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11324","11336","10.1039/d5dt01240f","","x-ray","1.54184","CuKα","","0.0414","0.0376","","","0.1001","0.1027","","","","","","1.056","","","","has coordinates,has disorder","301574","2025-08-05","21:51:19",""
"7718992","19.981","0.0004","11.5684","0.0002","33.7222","0.0005","90","","95.4732","0.0014","90","","7759.3","0.2","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Cl4 O8 Ru -","- C39 H33 Cl O8 Ru -","- C312 H264 Cl8 O64 Ru8 -","8","2","","Pagliaricci, Sara; Pagliaricci, Noemi; Tombesi, Alessia; Pettinari, Claudio; Cuccioloni, Massimiliano; Juricic, Helena; Galindo, Agustín; Fadaei-Tirani, Farzaneh; Pettinari, Riccardo; Marchetti, Fabio","Ruthenium(II)-bisdemethoxycurcumin conjugate complexes as potent antitumour agents through simultaneous inhibition of 20S proteasome and HMG-CoA reductase.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11324","11336","10.1039/d5dt01240f","","x-ray","1.54184","CuKα","","0.0968","0.0794","","","0.2206","0.2332","","","","","","1.07","","","","has coordinates","301574","2025-08-05","21:51:19",""
"7718993","19.0501","0.0003","17.3102","0.0003","11.1331","0.00013","90","","103.629","0.0014","90","","3567.89","0.1","139.99","0.1","139.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H45 Cl O6 Ru -","- C41 H45 Cl O6 Ru -","- C164 H180 Cl4 O24 Ru4 -","4","1","","Pagliaricci, Sara; Pagliaricci, Noemi; Tombesi, Alessia; Pettinari, Claudio; Cuccioloni, Massimiliano; Juricic, Helena; Galindo, Agustín; Fadaei-Tirani, Farzaneh; Pettinari, Riccardo; Marchetti, Fabio","Ruthenium(II)-bisdemethoxycurcumin conjugate complexes as potent antitumour agents through simultaneous inhibition of 20S proteasome and HMG-CoA reductase.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11324","11336","10.1039/d5dt01240f","","x-ray","1.54184","CuKα","","0.0556","0.0415","","","0.0927","0.0981","","","","","","1.019","","","","has coordinates","301574","2025-08-05","21:51:19",""
"7718994","12.2341","0.0002","40.5533","0.0005","11.3285","0.0001","90","","102.525","0.001","90","","5486.69","0.12","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H63 N2 P3 Ru Zn -","- C65 H63 N2 P3 Ru Zn -","- C260 H252 N8 P12 Ru4 Zn4 -","4","1","","Walsh, Amber M.; Lewis, Ludovic J.; Lowe, John P.; Mahon, Mary F.; Whittlesey, Michael K.","Attempted syntheses of ZnPhos-ruthenium complexes (ZnPhos = bis(2-diphenylphosphinophenyl)zinc).","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11371","11381","10.1039/d5dt01160d","","x-ray","1.54184","CuKα","","0.0346","0.0272","","","0.0629","0.066","","","","","","1.025","","","","has coordinates","301579","2025-08-05","21:53:43",""
"7718995","12.7064","0.0006","12.7064","0.0006","10.2125","0.0005","90","","90","","120","","1427.93","0.12","293","2","293","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C22 H17 Cl2 N6 O13 P -","- C21.9999 H16.9998 Cl1.9998 N6 O13 P -","- C43.9998 H33.9996 Cl3.9996 N12 O26 P2 -","2","0.333333","","Pérez, Rafael; Dahmani, Houari; Bélanger-Chabot, Guillaume","Nitrated triarylphosphine oxides: accessible triarylphosphoryl molecules with up to six nitro groups.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13030","13034","10.1039/d5dt01277e","","x-ray","0.71073","MoKα","","0.0518","0.0438","","","0.1149","0.1197","","","","","","1.07","","","","has coordinates,has disorder","302664","2025-10-06","09:36:21",""
"7718996","12.9251","0.0006","15.2493","0.0007","15.3604","0.0004","69.845","0.004","66.037","0.004","86.173","0.004","2587.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N6 O16 P -","- C21 H15 N6 O16 P -","- C84 H60 N24 O64 P4 -","4","2","","Pérez, Rafael; Dahmani, Houari; Bélanger-Chabot, Guillaume","Nitrated triarylphosphine oxides: accessible triarylphosphoryl molecules with up to six nitro groups.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13030","13034","10.1039/d5dt01277e","","x-ray","0.71073","MoKα","","0.057","0.0377","","","0.0862","0.0923","","","","","","1.041","","","","has coordinates,has disorder","302664","2025-10-06","09:36:22",""
"7718997","15.965","0.003","15.965","0.003","4.934","0.0011","90","","90","","120","","1089.1","0.4","297.15","","297.15","","","","","","","","","6","P -3","-P 3","147","","","","- C18 H9 Cl3 N3 O7 P -","- C18 H9 Cl3 N3 O7 P -","- C36 H18 Cl6 N6 O14 P2 -","2","0.333333","","Pérez, Rafael; Dahmani, Houari; Bélanger-Chabot, Guillaume","Nitrated triarylphosphine oxides: accessible triarylphosphoryl molecules with up to six nitro groups.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13030","13034","10.1039/d5dt01277e","","x-ray","0.71073","MoKα","","0.1262","0.0782","","","0.1764","0.1991","","","","","","1.042","","","","has coordinates","302664","2025-10-06","09:36:22",""
"7718998","9.9092","0.0007","11.3024","0.0008","11.9429","0.0009","104.595","0.007","105.946","0.007","95.378","0.006","1225.37","0.17","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N6 O13 P -","- C21 H15 N6 O13 P -","- C42 H30 N12 O26 P2 -","2","1","","Pérez, Rafael; Dahmani, Houari; Bélanger-Chabot, Guillaume","Nitrated triarylphosphine oxides: accessible triarylphosphoryl molecules with up to six nitro groups.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13030","13034","10.1039/d5dt01277e","","x-ray","0.71073","MoKα","","0.1328","0.0732","","","0.168","0.194","","","","","","1.015","","","","has coordinates","302664","2025-10-06","09:36:22",""
"7718999","15.733","0.0011","18.9676","0.001","19.2993","0.0013","90","","112.173","0.008","90","","5333.3","0.7","297.15","","297.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N6 O16 P -","- C21 H15 N6 O16 P -","- C168 H120 N48 O128 P8 -","8","2","","Pérez, Rafael; Dahmani, Houari; Bélanger-Chabot, Guillaume","Nitrated triarylphosphine oxides: accessible triarylphosphoryl molecules with up to six nitro groups.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13030","13034","10.1039/d5dt01277e","","x-ray","0.71073","MoKα","","0.2049","0.0791","","","0.1459","0.1849","","","","","","0.977","","","","has coordinates","302664","2025-10-06","09:36:22",""
"7719000","21.187","0.0007","21.6062","0.0008","22.3289","0.0007","90","","90","","90","","10221.5","0.6","99.99","0.1","99.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H52 Cl3 Dy O5 P4 -","- C50 H44 Cl3 Dy O4 P4 -","- C400 H352 Cl24 Dy8 O32 P32 -","8","1","","Wu, Xiao-Jun; Guo, Hong-Yao; Lin, Wei-Quan; Meng, Yan; Leng, Ji-Dong","Six-coordinate lanthanide complexes based on bidentate phosphine oxide ligands: synthesis, structure and magnetic properties","Dalton Transactions","2025","54","19","7819","7827","10.1039/D5DT00422E","","x-ray","0.71073","MoKα","","0.0634","0.037","","","0.0864","0.0981","","","","","","1.028","","","","has coordinates","300358","2025-07-05","07:38:01",""
"7719001","21.00542","0.00013","21.75103","0.00016","22.46591","0.00016","90","","90","","90","","10264.4","0.12","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H52 Cl3 Er O5 P4 -","- C54 H52 Cl3 Er O5 P4 -","- C432 H416 Cl24 Er8 O40 P32 -","8","1","","Wu, Xiao-Jun; Guo, Hong-Yao; Lin, Wei-Quan; Meng, Yan; Leng, Ji-Dong","Six-coordinate lanthanide complexes based on bidentate phosphine oxide ligands: synthesis, structure and magnetic properties","Dalton Transactions","2025","54","19","7819","7827","10.1039/D5DT00422E","","x-ray","1.54184","CuKα","","0.045","0.0395","","","0.0995","0.1037","","","","","","1.042","","","","has coordinates,has disorder","300358","2025-07-05","07:38:04",""
"7719002","20.9276","0.0003","21.7519","0.0003","22.4546","0.0003","90","","90","","90","","10221.7","0.2","100","0.12","100","0.12","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H52 Cl3 O5 P4 Yb -","- C54 H52 Cl3 O5 P4 Yb -","- C432 H416 Cl24 O40 P32 Yb8 -","8","1","","Wu, Xiao-Jun; Guo, Hong-Yao; Lin, Wei-Quan; Meng, Yan; Leng, Ji-Dong","Six-coordinate lanthanide complexes based on bidentate phosphine oxide ligands: synthesis, structure and magnetic properties","Dalton Transactions","2025","54","19","7819","7827","10.1039/D5DT00422E","","x-ray","1.54184","CuKα","","0.0751","0.058","","","0.1375","0.1484","","","","","","1.026","","","","has coordinates,has disorder","300358","2025-07-05","07:38:07",""
"7719003","12.2295","0.0003","21.7084","0.0006","24.2101","0.0005","74.296","0.002","89.995","0.002","74.781","0.002","5953","0.3","109","14","109","14","","","","","","","","7","P -1","-P 1","2","","","","- C124 H108 Au2 F12 N4 P10 S4 -","- C124 H108 Au2 F12 N4 P10 S4 -","- C248 H216 Au4 F24 N8 P20 S8 -","2","1","","Gatto, Marco F.; Sangtarash, Sara; Jago, David; Abram, R. Tom; Barrett, Eleanor; Sil, Amit; Koutsantonis, George A.; Higgins, Simon J.; Robertson, Craig M.; Nichols, Richard J.; Sadeghi, Hatef; Vezzoli, Andrea","Metal ion independent conductance through bis-chelated metal complex molecular wires based on a bis(diphenylphosphino)aniline derivative","Dalton Transactions","2025","54","19","7874","7881","10.1039/D5DT00292C","","x-ray","0.71073","MoKα","","0.1033","0.0971","","","0.2869","0.2983","","","","","","1.355","","","","has coordinates","300359","2025-07-05","07:39:06",""
"7719004","12.2541","0.0013","13.7569","0.0015","20.607","0.002","90","","107.028","0.004","90","","3321.6","0.6","199.99","","199.99","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C62 H54 Cu F6 N2 P0.5 S7 -","- C62 H54 Cu F6 N2 P5 S2 -","- C124 H108 Cu2 F12 N4 P10 S4 -","2","0.5","","Gatto, Marco F.; Sangtarash, Sara; Jago, David; Abram, R. Tom; Barrett, Eleanor; Sil, Amit; Koutsantonis, George A.; Higgins, Simon J.; Robertson, Craig M.; Nichols, Richard J.; Sadeghi, Hatef; Vezzoli, Andrea","Metal ion independent conductance through bis-chelated metal complex molecular wires based on a bis(diphenylphosphino)aniline derivative","Dalton Transactions","2025","54","19","7874","7881","10.1039/D5DT00292C","","","0.71073","MoKα","","0.1286","0.1184","","","0.2396","0.2443","","","","","","1.12","","","","has coordinates","300359","2025-07-05","07:39:07",""
"7719005","13.582","0.0014","21.259","0.003","23.026","0.003","87.876","0.006","78.36","0.005","82.975","0.004","6462.4","1.4","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C63.98 H58.95 Ag F6 N2 O0.5 P5 S2 -","- C63.989 H58.967 Ag F6 N2 O0.5 P5 S2 -","- C255.956 H235.868 Ag4 F24 N8 O2 P20 S8 -","4","2","","Gatto, Marco F.; Sangtarash, Sara; Jago, David; Abram, R. Tom; Barrett, Eleanor; Sil, Amit; Koutsantonis, George A.; Higgins, Simon J.; Robertson, Craig M.; Nichols, Richard J.; Sadeghi, Hatef; Vezzoli, Andrea","Metal ion independent conductance through bis-chelated metal complex molecular wires based on a bis(diphenylphosphino)aniline derivative","Dalton Transactions","2025","54","19","7874","7881","10.1039/D5DT00292C","","","0.71073","MoKα","","0.0755","0.044","","","0.1029","0.1179","","","","","","0.984","","","","has coordinates,has disorder","300359","2025-07-05","07:39:08",""
"7719006","6.6961","0.0005","8.7941","0.0008","13.6473","0.0011","90","","90","","90","","803.64","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H6 I O10 S Y -","- H6 I O10 S Y -","- H24 I4 O40 S4 Y4 -","4","1","","Ma, Shihua; Geng, Lei; Zhu, Baozhu; Meng, Changyu","Achieving balanced UV SHG responses, optical band gaps and birefringence in rare earth compounds Ln(IO<sub>3</sub>)(SO<sub>4</sub>)·3H<sub>2</sub>O (Ln = Y, Gd, Er, Ho, Dy, Eu).","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8183","8189","10.1039/d5dt00613a","","","0.71073","MoKα","","0.0186","0.0182","","","0.0476","0.0478","","","","","","1.05","","","","has coordinates","300360","2025-07-05","07:46:45",""
"7719007","6.7813","0.0015","8.915","0.002","13.81","0.003","90","","90","","90","","834.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Eu H6 I O10 S -","- Eu H6 I O10 S -","- Eu4 H24 I4 O40 S4 -","4","1","","Ma, Shihua; Geng, Lei; Zhu, Baozhu; Meng, Changyu","Achieving balanced UV SHG responses, optical band gaps and birefringence in rare earth compounds Ln(IO<sub>3</sub>)(SO<sub>4</sub>)·3H<sub>2</sub>O (Ln = Y, Gd, Er, Ho, Dy, Eu).","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8183","8189","10.1039/d5dt00613a","","","0.71073","MoKα","","0.0182","0.0181","","","0.0446","0.0447","","","","","","1.036","","","","has coordinates","300360","2025-07-05","07:46:47",""
"7719008","6.7498","0.0004","8.8689","0.0006","13.7695","0.0007","90","","90","","90","","824.29","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Gd H6 I O10 S -","- Gd H6 I O10 S -","- Gd4 H24 I4 O40 S4 -","4","1","","Ma, Shihua; Geng, Lei; Zhu, Baozhu; Meng, Changyu","Achieving balanced UV SHG responses, optical band gaps and birefringence in rare earth compounds Ln(IO<sub>3</sub>)(SO<sub>4</sub>)·3H<sub>2</sub>O (Ln = Y, Gd, Er, Ho, Dy, Eu).","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8183","8189","10.1039/d5dt00613a","","","0.71073","MoKα","","0.0148","0.0147","","","0.0375","0.0376","","","","","","1.006","","","","has coordinates","300360","2025-07-05","07:46:47",""
"7719009","6.6822","0.0002","8.7719","0.0002","13.6104","0.0004","90","","90","","90","","797.78","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Er H6 I O10 S -","- Er H6 I O10 S -","- Er4 H24 I4 O40 S4 -","4","1","","Ma, Shihua; Geng, Lei; Zhu, Baozhu; Meng, Changyu","Achieving balanced UV SHG responses, optical band gaps and birefringence in rare earth compounds Ln(IO<sub>3</sub>)(SO<sub>4</sub>)·3H<sub>2</sub>O (Ln = Y, Gd, Er, Ho, Dy, Eu).","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8183","8189","10.1039/d5dt00613a","","","0.71073","MoKα","","0.0185","0.0184","","","0.0488","0.0489","","","","","","1.003","","","","has coordinates","300360","2025-07-05","07:46:47",""
"7719010","6.7142","0.0005","8.8166","0.0007","13.6666","0.0011","90","","90","","90","","809.01","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Dy H6 I O10 S -","- Dy H6 I O10 S -","- Dy4 H24 I4 O40 S4 -","4","1","","Ma, Shihua; Geng, Lei; Zhu, Baozhu; Meng, Changyu","Achieving balanced UV SHG responses, optical band gaps and birefringence in rare earth compounds Ln(IO<sub>3</sub>)(SO<sub>4</sub>)·3H<sub>2</sub>O (Ln = Y, Gd, Er, Ho, Dy, Eu).","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8183","8189","10.1039/d5dt00613a","","","0.71073","MoKα","","0.023","0.0229","","","0.0595","0.0595","","","","","","1.034","","","","has coordinates","300360","2025-07-05","07:46:47",""
"7719011","6.7098","0.0002","8.8093","0.0003","13.6558","0.0005","90","","90","","90","","807.18","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H6 Ho I O10 S -","- H6 Ho I O10 S -","- H24 Ho4 I4 O40 S4 -","4","1","","Ma, Shihua; Geng, Lei; Zhu, Baozhu; Meng, Changyu","Achieving balanced UV SHG responses, optical band gaps and birefringence in rare earth compounds Ln(IO<sub>3</sub>)(SO<sub>4</sub>)·3H<sub>2</sub>O (Ln = Y, Gd, Er, Ho, Dy, Eu).","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8183","8189","10.1039/d5dt00613a","","","0.71073","MoKα","","0.0167","0.0165","","","0.0404","0.0405","","","","","","1.039","","","","has coordinates","300360","2025-07-05","07:46:47",""
"7719012","11.8953","0.0013","11.8953","0.0013","7.5446","0.0008","90","","90","","120","","924.52","0.17","100","","100","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","Fe32.6Ge33Si2","","- Fe32.598 Ge32.939 Si2.061 -","- Fe32.598 Ge32.936 Si2.064 -","- Fe32.598 Ge32.936 Si2.064 -","1","0.0416667","","Khalaniya, Roman A.; Verchenko, Valeriy Yu; Mironov, Andrei V.; Samarin, Alexander N.; Bogach, Alexey V.; Kulchu, Aleksandr N.; Polevik, Alexey O.; Wei, Zheng; Dikarev, Evgeny V.; Stern, Raivo; Shevelkov, Andrei V.","Spin reorientation and magnetic frustration in Fe<sub>32+<i>δ</i></sub>Ge<sub>35-<i>x</i></sub>Si<sub><i>x</i></sub> with a kagome lattice broken by crystallographic intergrowth.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8317","8330","10.1039/d5dt00654f","","x-ray","0.71073","MoKα","","0.0234","0.0165","","","0.0199","0.0217","","","","1.4","1.4","1.41","","","","has coordinates","300361","2025-07-05","07:49:31",""
"7719013","11.8274","0.0018","11.8274","0.0018","7.5597","0.0011","90","","90","","120","","915.8","0.2","293","","293","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Fe32.8Ge30Si5","","- Fe32.83 Ge29.693 Si5.307 -","- Fe32.83 Ge29.69 Si5.31 -","- Fe32.83 Ge29.69 Si5.31 -","1","0.0416667","","Khalaniya, Roman A.; Verchenko, Valeriy Yu; Mironov, Andrei V.; Samarin, Alexander N.; Bogach, Alexey V.; Kulchu, Aleksandr N.; Polevik, Alexey O.; Wei, Zheng; Dikarev, Evgeny V.; Stern, Raivo; Shevelkov, Andrei V.","Spin reorientation and magnetic frustration in Fe<sub>32+<i>δ</i></sub>Ge<sub>35-<i>x</i></sub>Si<sub><i>x</i></sub> with a kagome lattice broken by crystallographic intergrowth.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8317","8330","10.1039/d5dt00654f","","x-ray","0.56083","AgKα","","0.0511","0.0281","","","0.0419","0.0483","","","","1.08","1.08","1.04","","","","has coordinates","300361","2025-07-05","07:49:33",""
"7719014","11.84249","0.00003","11.84249","0.00003","7.57437","0.00002","90","","90","","120","","919.948","0.004","293","","293","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Fe32.7Ge29Si6","","- Fe32.986 Ge29.963 Si5.037 -","- Fe32.99 Ge29.966 Si5.034 -","- Fe32.99 Ge29.966 Si5.034 -","1","0.0416667","","Khalaniya, Roman A.; Verchenko, Valeriy Yu; Mironov, Andrei V.; Samarin, Alexander N.; Bogach, Alexey V.; Kulchu, Aleksandr N.; Polevik, Alexey O.; Wei, Zheng; Dikarev, Evgeny V.; Stern, Raivo; Shevelkov, Andrei V.","Spin reorientation and magnetic frustration in Fe<sub>32+<i>δ</i></sub>Ge<sub>35-<i>x</i></sub>Si<sub><i>x</i></sub> with a kagome lattice broken by crystallographic intergrowth.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8317","8330","10.1039/d5dt00654f","powder diffraction","","0.35451","Synchrotron","","0.0454","0.0321","","","0.0269","0.0279","","","1.53","","","","","","","has coordinates","300361","2025-07-05","07:49:37",""
"7719015","11.87352","0.00003","11.87352","0.00003","7.58509","0.00002","90","","90","","120","","926.084","0.004","293","","293","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Fe32.7Ge31Si4","","- Fe32.875 Ge31.395 Si3.605 -","- Fe32.87 Ge31.394 Si3.606 -","- Fe32.87 Ge31.394 Si3.606 -","1","0.0416667","","Khalaniya, Roman A.; Verchenko, Valeriy Yu; Mironov, Andrei V.; Samarin, Alexander N.; Bogach, Alexey V.; Kulchu, Aleksandr N.; Polevik, Alexey O.; Wei, Zheng; Dikarev, Evgeny V.; Stern, Raivo; Shevelkov, Andrei V.","Spin reorientation and magnetic frustration in Fe<sub>32+<i>δ</i></sub>Ge<sub>35-<i>x</i></sub>Si<sub><i>x</i></sub> with a kagome lattice broken by crystallographic intergrowth.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8317","8330","10.1039/d5dt00654f","powder diffraction","","0.35451","Synchrotron","","0.0512","0.0355","","","0.022","0.0236","","","1.46","","","","","","","has coordinates","300361","2025-07-05","07:49:38",""
"7719016","11.85359","0.00003","11.85359","0.00003","7.57947","0.00002","90","","90","","120","","922.294","0.004","293","","293","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Fe32.7Ge30Si5","","- Fe32.957 Ge30.45 Si4.55 -","- Fe32.96 Ge30.452 Si4.548 -","- Fe32.96 Ge30.452 Si4.548 -","1","0.0416667","","Khalaniya, Roman A.; Verchenko, Valeriy Yu; Mironov, Andrei V.; Samarin, Alexander N.; Bogach, Alexey V.; Kulchu, Aleksandr N.; Polevik, Alexey O.; Wei, Zheng; Dikarev, Evgeny V.; Stern, Raivo; Shevelkov, Andrei V.","Spin reorientation and magnetic frustration in Fe<sub>32+<i>δ</i></sub>Ge<sub>35-<i>x</i></sub>Si<sub><i>x</i></sub> with a kagome lattice broken by crystallographic intergrowth.","Dalton transactions (Cambridge, England : 2003)","2025","54","20","8317","8330","10.1039/d5dt00654f","powder diffraction","","0.35451","Synchrotron","","0.067","0.0437","","","0.0268","0.0287","","","1.97","","","","","","","has coordinates","300361","2025-07-05","07:49:39",""
"7719017","20.7204","0.0008","13.1135","0.0005","9.3165","0.0003","90","","94.01","0.001","90","","2525.25","0.16","300","","300","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C62 H38 N10 O8 Zn -","- C62 H38 N10 O8 Zn -","- C124 H76 N20 O16 Zn2 -","2","0.5","","Xiao, Yao; Luo, Jing; Wang, Jun; Lu, Lu; Prakash, Om; Srivastava, Shreya; Muddassir, Mohd; Kumar, Abhinav","New 1,4-naphthalenedicarboxylic acid- and 3,5-bis(benzimidazol-2-yl)pyridine-appended d<sup>10</sup>-configuration-based coordination polymers as recoverable turn-off luminescent sensors for tetracycline.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5888","5895","10.1039/d5dt00025d","","","0.71073","MoKα","","0.0337","0.0303","","","0.0724","0.074","","","","","","1.117","","","","has coordinates,has disorder","300362","2025-07-05","07:57:16",""
"7719018","46.521","0.003","16.3691","0.0008","21.6094","0.0011","90","","90","","90","","16455.7","1.6","296.15","","296.15","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C162 H110 Cd3 N30 O19 -","- C162 H110 Cd3 N30 O19 -","- C648 H440 Cd12 N120 O76 -","4","0.5","","Xiao, Yao; Luo, Jing; Wang, Jun; Lu, Lu; Prakash, Om; Srivastava, Shreya; Muddassir, Mohd; Kumar, Abhinav","New 1,4-naphthalenedicarboxylic acid- and 3,5-bis(benzimidazol-2-yl)pyridine-appended d<sup>10</sup>-configuration-based coordination polymers as recoverable turn-off luminescent sensors for tetracycline.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5888","5895","10.1039/d5dt00025d","","","0.71073","MoKα","","0.1444","0.0713","","","0.1688","0.2131","","","","","","0.985","","","","has coordinates,has disorder","300362","2025-07-05","07:57:17",""
"7719019","14.2568","0.0015","14.7337","0.0015","14.9365","0.0018","63.284","0.003","83.911","0.004","63.764","0.003","2497","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H42 Eu2 F24 N4 O20 Zn2 -","- C94 H42 Eu2 F24 N4 O20 Zn2 -","- C94 H42 Eu2 F24 N4 O20 Zn2 -","1","0.5","","Bolot'ko, Alena E.; Shmelev, Maxim A.; Chistyakov, Alexandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Gogoleva, Natalia V.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Luminescence enhancement by mixing carboxylate benzoate-pentafluorobenzoate ligands in polynuclear {Eu<sub>2</sub>Zn<sub>2</sub>} and {Tb<sub>2</sub>Zn<sub>2</sub>} complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5708","5720","10.1039/d4dt03414g","","","0.71073","MoKα","","0.0776","0.0501","","","0.1078","0.121","","","","","","1.042","","","","has coordinates,has disorder","300363","2025-07-05","07:58:08",""
"7719020","13.496","0.003","14.461","0.003","14.786","0.003","63.754","0.004","86.131","0.006","78.08","0.005","2531.5","0.9","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C100 H45 Eu2 F30 N7 O20 Zn2 -","- C100 H45 Eu2 F30 N7 O20 Zn2 -","- C100 H45 Eu2 F30 N7 O20 Zn2 -","1","0.5","","Bolot'ko, Alena E.; Shmelev, Maxim A.; Chistyakov, Alexandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Gogoleva, Natalia V.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Luminescence enhancement by mixing carboxylate benzoate-pentafluorobenzoate ligands in polynuclear {Eu<sub>2</sub>Zn<sub>2</sub>} and {Tb<sub>2</sub>Zn<sub>2</sub>} complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5708","5720","10.1039/d4dt03414g","","","0.71073","MoKα","","0.0899","0.0569","","","0.1425","0.1644","","","","","","1.025","","","","has coordinates,has disorder","300363","2025-07-05","07:58:09",""
"7719021","14.2636","0.001","14.6822","0.0009","14.8804","0.001","63.435","0.002","84.216","0.002","63.913","0.002","2485.4","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H42 F24 N4 O20 Tb2 Zn2 -","- C94 H42 F24 N4 O20 Tb2 Zn2 -","- C94 H42 F24 N4 O20 Tb2 Zn2 -","1","0.5","","Bolot'ko, Alena E.; Shmelev, Maxim A.; Chistyakov, Alexandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Gogoleva, Natalia V.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Luminescence enhancement by mixing carboxylate benzoate-pentafluorobenzoate ligands in polynuclear {Eu<sub>2</sub>Zn<sub>2</sub>} and {Tb<sub>2</sub>Zn<sub>2</sub>} complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5708","5720","10.1039/d4dt03414g","","","0.71073","MoKα","","0.0491","0.0385","","","0.0944","0.1","","","","","","1.053","","","","has coordinates,has disorder","300363","2025-07-05","07:58:10",""
"7719022","11.9014","0.0013","13.4139","0.0015","14.6057","0.0015","107.083","0.005","111.257","0.005","98.01","0.007","1996.5","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C94 H66 Eu2 N4 O20 Zn2 -","- C94 H66 Eu2 N4 O20 Zn2 -","- C94 H66 Eu2 N4 O20 Zn2 -","1","0.5","","Bolot'ko, Alena E.; Shmelev, Maxim A.; Chistyakov, Alexandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Gogoleva, Natalia V.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Luminescence enhancement by mixing carboxylate benzoate-pentafluorobenzoate ligands in polynuclear {Eu<sub>2</sub>Zn<sub>2</sub>} and {Tb<sub>2</sub>Zn<sub>2</sub>} complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","14","5708","5720","10.1039/d4dt03414g","","","1.54178","CuKα","","0.0837","0.0782","","","0.199","0.2067","","","","","","1.038","","","","has coordinates","300363","2025-07-05","07:58:10",""
"7719023","7.1719","0.0005","8.6415","0.0006","10.9893","0.0009","81.323","0.006","77.233","0.006","86.399","0.006","656.32","0.09","123","","123","","","","","","","","1,4-ditetrazol-1-yl-propane bis(1-amino-5-nitriminotetrazolato) copper(II)","5","P -1","-P 1","2","","1,4-ditetrazol-1-yl-propane bis(1-amino-5-nitriminotetrazolato) copper(II)","","- C12 H20 Cu N30 O4 -","- C12 H20 Cu N30 O4 -","- C12 H20 Cu N30 O4 -","1","0.5","","Benz, Maximilian; Endraß, Simon M J; Klapötke, Thomas M; Stierstorfer, Jörg; Strey, Sadiq","1-Amino-5-nitriminotetrazolate as a promising anion in safe yet powerful energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6156","6166","10.1039/d4dt03086a","","x-ray","0.71073","MoKα","","0.0595","0.0507","","","0.1298","0.1419","","","","","","1.044","","","","has coordinates","300364","2025-07-05","07:59:36",""
"7719024","7.513","0.0005","10.4994","0.0006","13.9744","0.001","90.076","0.005","104.597","0.006","110.881","0.006","991.61","0.12","123","","123","","","","","","","","1,4-ditetrazol-1-yl-butane bis(1-amino-5-nitriminotetrazolato) copper(II)","5","P -1","-P 1","2","","1,4-ditetrazol-1-yl-butane bis(1-amino-5-nitriminotetrazolato) copper(II)","","- C8 H14 Cu N22 O4 -","- C8 H14 Cu N22 O4 -","- C16 H28 Cu2 N44 O8 -","2","1","","Benz, Maximilian; Endraß, Simon M J; Klapötke, Thomas M; Stierstorfer, Jörg; Strey, Sadiq","1-Amino-5-nitriminotetrazolate as a promising anion in safe yet powerful energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6156","6166","10.1039/d4dt03086a","","x-ray","0.71073","MoKα","","0.075","0.0464","","","0.0886","0.1041","","","","","","1.035","","","","has coordinates","300364","2025-07-05","07:59:37",""
"7719025","6.4691","0.0004","6.9872","0.0004","8.333","0.0005","74.463","0.002","71.796","0.002","86.373","0.002","344.65","0.04","173","","173","","","","","","","","diaqua bis(1-amino-5-nitriminotetrazolato) iron(II) dihydrate","5","P -1","-P 1","2","","diaqua bis(1-amino-5-nitriminotetrazolato) iron(II) dihydrate","","- C2 H12 Fe N14 O8 -","- C2 H12 Fe N14 O8 -","- C2 H12 Fe N14 O8 -","1","0.5","","Benz, Maximilian; Endraß, Simon M J; Klapötke, Thomas M; Stierstorfer, Jörg; Strey, Sadiq","1-Amino-5-nitriminotetrazolate as a promising anion in safe yet powerful energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6156","6166","10.1039/d4dt03086a","","","0.71073","MoKα","","0.0262","0.0245","","","0.0599","0.0609","","","","","","1.128","","","","has coordinates","300364","2025-07-05","07:59:37",""
"7719026","11.4578","0.0007","5.8393","0.0004","18.8934","0.0013","90","","92.536","0.006","90","","1262.83","0.14","123","","123","","","","","","","","bis(1-azidopropyl-5H-tetrazole) bis(1-amino-5-nitriminotetrazolato) copper(II)","5","P 1 21/n 1","-P 2yn","14","","bis(1-azidopropyl-5H-tetrazole) bis(1-amino-5-nitriminotetrazolato) copper(II)","","- C10 H18 Cu N28 O4 -","- C10 H18 Cu N28 O4 -","- C20 H36 Cu2 N56 O8 -","2","0.5","","Benz, Maximilian; Endraß, Simon M J; Klapötke, Thomas M; Stierstorfer, Jörg; Strey, Sadiq","1-Amino-5-nitriminotetrazolate as a promising anion in safe yet powerful energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6156","6166","10.1039/d4dt03086a","","x-ray","0.71073","MoKα","","0.0715","0.0422","","","0.092","0.1076","","","","","","1.039","","","","has coordinates","300364","2025-07-05","07:59:38",""
"7719027","8.5054","0.0005","9.3145","0.0006","16.4303","0.001","73.794","0.005","78.909","0.005","80.601","0.005","1218.27","0.13","123","","123","","","","","","","","1,4-ditetrazol-1-yl-butane bis(1-amino-5-nitriminotetrazolato) copper(II) semi 1,4-ditetrazol-1-yl-butane adduct","5","P -1","-P 1","2","","1,4-ditetrazol-1-yl-butane bis(1-amino-5-nitriminotetrazolato) copper(II) semi 1,4-ditetrazol-1-yl-butane adduct","","- C11 H19 Cu N26 O4 -","- C11 H19 Cu N26 O4 -","- C22 H38 Cu2 N52 O8 -","2","1","","Benz, Maximilian; Endraß, Simon M J; Klapötke, Thomas M; Stierstorfer, Jörg; Strey, Sadiq","1-Amino-5-nitriminotetrazolate as a promising anion in safe yet powerful energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6156","6166","10.1039/d4dt03086a","","x-ray","0.71073","MoKα","","0.081","0.05","","","0.0886","0.1016","","","","","","1.038","","","","has coordinates","300364","2025-07-05","07:59:38",""
"7719028","7.6635","0.0003","8.3252","0.0003","8.8503","0.0003","94.183","0.001","93.961","0.001","92.207","0.001","561.26","0.04","173","","173","","","","","","","","","5","P -1","-P 1","2","bis(1-azidoethyl-5H-tetrazole) bis(1-amino-5-nitriminotetrazolato) copper(II)","bis(1-azidoethyl-5H-tetrazole) bis(1-amino-5-nitriminotetrazolato) copper(II)","","- C8 H14 Cu N28 O4 -","- C8 H14 Cu N28 O4 -","- C8 H14 Cu N28 O4 -","1","0.5","","Benz, Maximilian; Endraß, Simon M J; Klapötke, Thomas M; Stierstorfer, Jörg; Strey, Sadiq","1-Amino-5-nitriminotetrazolate as a promising anion in safe yet powerful energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6156","6166","10.1039/d4dt03086a","","","0.71073","MoKα","","0.0391","0.0319","","","0.0699","0.0728","","","","","","1.077","","","","has coordinates","300364","2025-07-05","07:59:39",""
"7719029","5.605","0.003","9.087","0.006","11.608","0.007","90","","95.79","0.012","90","","588.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","diaqua di(1-amino-5-nitriminotetrazolato) copper(II)","diaqua di(1-amino-5-nitriminotetrazolato) copper(II)","","- C2 H8 Cu N14 O6 -","- C2 H8 Cu N14 O6 -","- C4 H16 Cu2 N28 O12 -","2","0.5","","Benz, Maximilian; Endraß, Simon M J; Klapötke, Thomas M; Stierstorfer, Jörg; Strey, Sadiq","1-Amino-5-nitriminotetrazolate as a promising anion in safe yet powerful energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6156","6166","10.1039/d4dt03086a","","","0.71073","MoKα","","0.0313","0.0262","","","0.0669","0.069","","","","","","1.089","","","","has coordinates","300364","2025-07-05","07:59:39",""
"7719030","8.5508","0.0002","11.393","0.0003","12.2836","0.0003","90","","93.955","0.001","90","","1193.81","0.05","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(1-amino-5-nitraminotetrazolato) bis(di(5H-tetrazol-1-yl)ethane) copper(II)","bis(1-amino-5-nitraminotetrazolato) bis(di(5H-tetrazol-1-yl)ethane) copper(II)","","- C10 H16 Cu N30 O4 -","- C10 H16 Cu N30 O4 -","- C20 H32 Cu2 N60 O8 -","2","0.5","","Benz, Maximilian; Endraß, Simon M J; Klapötke, Thomas M; Stierstorfer, Jörg; Strey, Sadiq","1-Amino-5-nitriminotetrazolate as a promising anion in safe yet powerful energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","15","6156","6166","10.1039/d4dt03086a","","","0.71073","MoKα","","0.049","0.034","","","0.0765","0.0826","","","","","","1.047","","","","has coordinates","300364","2025-07-05","07:59:39",""
"7719031","8.4783","0.0002","10.79","0.0003","20.1223","0.0006","90","","101.314","0.003","90","","1805.03","0.09","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 B Br F2 N3 -","- C20 H15 B Br F2 N3 -","- C80 H60 B4 Br4 F8 N12 -","4","1","","Chauhan, Pinky; Ravikanth, Mangalampalli","Synthesis, structure, spectral and redox properties of 3-pyrrolyl BODIPYs containing one to eight bromides at the pyrrole carbons.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7465","7474","10.1039/d5dt00431d","","x-ray","0.71073","MoKα","","0.062","0.052","","","0.1283","0.1359","","","","","","1.039","","","","has coordinates","300365","2025-07-05","08:06:16",""
"7719032","10.8062","0.0003","21.3167","0.0005","8.1321","0.0002","90","","98.24","0.002","90","","1853.91","0.08","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H14 B Br2 F2 N3 -","- C20 H14 B Br2 F2 N3 -","- C80 H56 B4 Br8 F8 N12 -","4","1","","Chauhan, Pinky; Ravikanth, Mangalampalli","Synthesis, structure, spectral and redox properties of 3-pyrrolyl BODIPYs containing one to eight bromides at the pyrrole carbons.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7465","7474","10.1039/d5dt00431d","","x-ray","0.71073","MoKα","","0.0355","0.0315","","","0.0726","0.0753","","","","","","1.043","","","","has coordinates","300365","2025-07-05","08:06:26",""
"7719033","9.762","0.0003","19.1325","0.0004","11.0878","0.0003","90","","109.298","0.003","90","","1954.53","0.1","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 B Br3 F2 N3 -","- C20 H13 B Br3 F2 N3 -","- C80 H52 B4 Br12 F8 N12 -","4","1","","Chauhan, Pinky; Ravikanth, Mangalampalli","Synthesis, structure, spectral and redox properties of 3-pyrrolyl BODIPYs containing one to eight bromides at the pyrrole carbons.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7465","7474","10.1039/d5dt00431d","","x-ray","0.71073","MoKα","","0.0525","0.0411","","","0.1052","0.1129","","","","","","1.024","","","","has coordinates","300365","2025-07-05","08:06:27",""
"7719034","7.8058","0.0008","11.8722","0.0008","12.6039","0.0015","113.044","0.009","98.397","0.009","101.444","0.007","1020.5","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 B Br4 F2 N3 -","- C20 H12 B Br4 F2 N3 -","- C40 H24 B2 Br8 F4 N6 -","2","1","","Chauhan, Pinky; Ravikanth, Mangalampalli","Synthesis, structure, spectral and redox properties of 3-pyrrolyl BODIPYs containing one to eight bromides at the pyrrole carbons.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7465","7474","10.1039/d5dt00431d","","x-ray","0.71073","MoKα","","0.1105","0.0714","","","0.1728","0.1983","","","","","","1.0534","","","","has coordinates","300365","2025-07-05","08:06:30",""
"7719035","8.3985","0.0004","10.9871","0.0004","13.8246","0.0006","73.539","0.004","72.537","0.004","85.421","0.004","1166.98","0.09","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H10 B Br6 F2 N3 -","- C20 H10 B Br6 F2 N3 -","- C40 H20 B2 Br12 F4 N6 -","2","1","","Chauhan, Pinky; Ravikanth, Mangalampalli","Synthesis, structure, spectral and redox properties of 3-pyrrolyl BODIPYs containing one to eight bromides at the pyrrole carbons.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7465","7474","10.1039/d5dt00431d","","x-ray","0.71073","MoKα","","0.075","0.0726","","","0.197","0.1983","","","","","","1.0311","","","","has coordinates","300365","2025-07-05","08:06:35",""
"7719036","7.3225","0.0014","12.108","0.003","16.863","0.003","90","","90","","90","","1495.1","0.5","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ge3 Hg Rb2 S8 -","- Ge3 Hg Rb2 S8 -","- Ge12 Hg4 Rb8 S32 -","4","1","","Wang, Guili; Xu, Bohui; Li, Chunxiao; Gong, Pifu; Lin, Zheshuai; Yao, Jiyong","Alkali metal/mercury dual-metal sulfides as infrared nonlinear optical materials with high laser-induced damage thresholds.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7198","7202","10.1039/d5dt00180c","","","0.71073","MoKα","","0.0931","0.057","","","0.1096","0.1185","","","","","","1.061","","","","has coordinates","300366","2025-07-05","08:07:18",""
"7719037","7.4106","0.0003","12.4313","0.0006","17.0924","0.0007","90","","90","","90","","1574.61","0.12","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Ge3 Hg S8 -","- Cs2 Ge3 Hg S8 -","- Cs8 Ge12 Hg4 S32 -","4","1","","Wang, Guili; Xu, Bohui; Li, Chunxiao; Gong, Pifu; Lin, Zheshuai; Yao, Jiyong","Alkali metal/mercury dual-metal sulfides as infrared nonlinear optical materials with high laser-induced damage thresholds.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7198","7202","10.1039/d5dt00180c","","","0.71073","MoKα","","0.0516","0.0376","","","0.083","0.0887","","","","","","1.052","","","","has coordinates","300366","2025-07-05","08:07:20",""
"7719038","9.6332","0.0003","12.1","0.0003","13.2246","0.0004","70.882","0.002","83.85","0.002","78.458","0.002","1425.57","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H33 N O3 S Sn -","- C31 H33 N O3 S Sn -","- C62 H66 N2 O6 S2 Sn2 -","2","1","","Kumar, Manish; Chakraborty, Sudipta; Nayek, Hari Pada","Organotin(IV) compounds catalyzed cyanide-free synthesis of α-iminonitriles.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8470","8482","10.1039/d5dt00492f","","","0.71073","MoKα","","0.0413","0.0341","","","0.082","0.0845","","","","","","1.111","","","","has coordinates","300367","2025-07-05","08:12:46",""
"7719039","12.6318","0.0007","15.8955","0.0008","13.0355","0.0006","90","","91.445","0.004","90","","2616.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 N O3 Sn -","- C26 H37 N O3 Sn -","- C104 H148 N4 O12 Sn4 -","4","1","","Kumar, Manish; Chakraborty, Sudipta; Nayek, Hari Pada","Organotin(IV) compounds catalyzed cyanide-free synthesis of α-iminonitriles.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8470","8482","10.1039/d5dt00492f","","","0.71073","MoKα","","0.0625","0.0434","","","0.1101","0.1179","","","","","","1.057","","","","has coordinates,has disorder","300367","2025-07-05","08:12:47",""
"7719040","4.1544","0.0003","10.7973","0.0009","30.5567","0.0016","90","","92.301","0.005","90","","1369.56","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","C336","","- C14 H10 I N3 O -","- C14 H10 I N3 O -","- C56 H40 I4 N12 O4 -","4","1","","Kumar, Manish; Chakraborty, Sudipta; Nayek, Hari Pada","Organotin(IV) compounds catalyzed cyanide-free synthesis of α-iminonitriles.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8470","8482","10.1039/d5dt00492f","","x-ray","0.71073","MoKα","","0.0844","0.052","","","0.0988","0.1107","","","","","","1.066","","","","has coordinates","300367","2025-07-05","08:12:47",""
"7719041","9.2054","0.0003","10.2236","0.0003","14.3336","0.0004","90","","106.287","0.003","90","","1294.83","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","MK-175","","- C26 H37 N O3 Sn -","- C26 H37 N O3 Sn -","- C52 H74 N2 O6 Sn2 -","2","1","","Kumar, Manish; Chakraborty, Sudipta; Nayek, Hari Pada","Organotin(IV) compounds catalyzed cyanide-free synthesis of α-iminonitriles.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8470","8482","10.1039/d5dt00492f","","x-ray","0.71073","MoKα","","0.0314","0.0292","","","0.0776","0.0812","","","","","","1.087","","","","has coordinates","300367","2025-07-05","08:12:47",""
"7719042","11.9532","0.001","15.9174","0.0013","13.4347","0.0009","90","","102.466","0.007","90","","2495.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","mk274","","- C25 H35 N O2 Sn -","- C25 H35 N O2 Sn -","- C100 H140 N4 O8 Sn4 -","4","1","","Kumar, Manish; Chakraborty, Sudipta; Nayek, Hari Pada","Organotin(IV) compounds catalyzed cyanide-free synthesis of α-iminonitriles.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8470","8482","10.1039/d5dt00492f","","x-ray","0.71073","MoKα","","0.0691","0.0539","","","0.1382","0.1465","","","","","","1.034","","","","has coordinates","300367","2025-07-05","08:12:48",""
"7719043","10.5581","0.0004","16.8877","0.0005","14.9059","0.0005","90","","91.601","0.003","90","","2656.71","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","PP-15","","- C30 H29 N O3 Sn -","- C30 H29 N O3 Sn -","- C120 H116 N4 O12 Sn4 -","4","1","","Kumar, Manish; Chakraborty, Sudipta; Nayek, Hari Pada","Organotin(IV) compounds catalyzed cyanide-free synthesis of α-iminonitriles.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8470","8482","10.1039/d5dt00492f","","x-ray","0.71073","MoKα","","0.0552","0.039","","","0.0934","0.0984","","","","","","1.061","","","","has coordinates","300367","2025-07-05","08:12:48",""
"7719044","11.5014","0.0003","25.4039","0.0006","13.9123","0.0004","90","","105.602","0.003","90","","3915.12","0.19","99.98","0.13","99.98","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 Fe2 N4 Ni -","- C50 H34 Fe2 N4 Ni -","- C200 H136 Fe8 N16 Ni4 -","4","1","","Jiang, Tao; Hu, Yiping; Liang, Sihan; Qiu, Fengxian; Huang, Hongliang; Zhou, Mingbo; Xue, Songlin","Ferrocene unit substitution in nickel(II) porphyrin(2.1.2.1) induces an extremely low oxygen evolution reaction overpotential.","Dalton transactions (Cambridge, England : 2003)","2025","54","21","8580","8585","10.1039/d5dt00580a","","x-ray","1.3405","GaKα","","0.0844","0.0564","","","0.1287","0.1403","","","","","","1.004","","","","has coordinates","300368","2025-07-05","08:14:14",""
"7719045","9.2504","0.0009","10.1281","0.001","14.0753","0.0014","91.315","0.002","102.365","0.002","108.821","0.002","1213.2","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H60 Dy2 N4 O12 -","- C44 H60 Dy2 N4 O12 -","- C44 H60 Dy2 N4 O12 -","1","0.5","","Germano Bispo-Jr, Airton; Alves Gálico, Diogo; Ovens, Jeffrey S.; Aparecido Sigoli, Fernando; Murugesu, Muralee","Impacts of β-diketonate terminal ligands on slow magnetic relaxation and luminescence thermometry in dinuclear Dy<sup>III</sup> single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4876","4887","10.1039/d4dt02200a","","","0.71073","MoKα","","0.0522","0.0341","","","0.0582","0.0636","","","","","","1.003","","","","has coordinates,has disorder","300369","2025-07-05","08:20:20",""
"7719046","9.3079","0.0006","11.811","0.0008","13.0703","0.0009","69.97","0.001","84.764","0.002","80.764","0.002","1331.46","0.16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H72 Dy2 N4 O12 -","- C50 H72 Dy2 N4 O12 -","- C50 H72 Dy2 N4 O12 -","1","0.5","","Germano Bispo-Jr, Airton; Alves Gálico, Diogo; Ovens, Jeffrey S.; Aparecido Sigoli, Fernando; Murugesu, Muralee","Impacts of β-diketonate terminal ligands on slow magnetic relaxation and luminescence thermometry in dinuclear Dy<sup>III</sup> single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4876","4887","10.1039/d4dt02200a","","","0.71073","MoKα","","0.0881","0.0478","","","0.0631","0.0733","","","","","","1.018","","","","has coordinates,has disorder","300369","2025-07-05","08:20:21",""
"7719047","15.7171","0.0003","15.7171","0.0003","30.1191","0.0015","90","","90","","90","","7440.2","0.4","100","0.1","100","0.1","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C14 H0.06 In O8 -","- C14 H6 In O8 -","- C224 H96 In16 O128 -","16","1","","Huang, Guimei; Li, Zilian; Xing, Zhiyong; Ma, Mengxia; Fan, Chuanbin; Li, Shiming; Guo, Feng; Teng, Yuanji","Solvent-induced framework interpenetration isomers and tuning of porosity of In-MOFs for efficient proton conduction and fluorescence sensing.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11667","11675","10.1039/d5dt01091h","","x-ray","1.54184","CuKα","","0.0436","0.0413","","","0.1177","0.1197","","","","","","1.092","","","","has coordinates","301596","2025-08-05","22:04:25",""
"7719048","22.2867","0.0001","22.2867","0.0001","8.555","0.0001","90","","90","","90","","4249.24","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","P 4/n b m :2","-P 4a 2b","125","","","","- C14 H6 In O8 -","- C14 H6 In O8 -","- C112 H48 In8 O64 -","8","0.5","","Huang, Guimei; Li, Zilian; Xing, Zhiyong; Ma, Mengxia; Fan, Chuanbin; Li, Shiming; Guo, Feng; Teng, Yuanji","Solvent-induced framework interpenetration isomers and tuning of porosity of In-MOFs for efficient proton conduction and fluorescence sensing.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11667","11675","10.1039/d5dt01091h","","x-ray","1.54184","CuKα","","0.0544","0.0496","","","0.1518","0.1592","","","","","","1.073","","","","has coordinates","301596","2025-08-05","22:04:26",""
"7719049","3.8806","0.0002","3.8806","0.0002","18.6168","0.0007","90","","90","","120","","242.79","0.02","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ca2 Cl O3 Tl -","- Ca2 Cl O3 Tl -","- Ca4 Cl2 O6 Tl2 -","2","0.0833333","","Bråtalien, Lars Botolv Ekeli; Nilsen, Ola; Saha, Dipankar; Mohn, Chris Erik; Chatzitakis, Athanasios; Valldor, Martin","Layered anion ordering in oxide chloride Ca<sub>2</sub>TlO<sub>3</sub>Cl.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11887","11894","10.1039/d5dt01111f","","x-ray","0.71073","MoKα","","0.0211","0.0163","","","0.045","0.046","","","","1.8069","1.8069","1.79","","","","has coordinates","302631","2025-10-06","09:18:40",""
"7719050","9.2397","0.0002","11.2133","0.0002","12.2581","0.0003","113.13","0.001","100.934","0.001","91.934","0.001","1138.47","0.04","99.98","","99.98","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 Cu2 N14 O12 -","- C40 H42 Cu2 N14 O12 -","- C40 H42 Cu2 N14 O12 -","1","0.5","","Ajibade, Peter A.; Oloyede, Solomon O.","Synthesis, characterization, crystal structure and comparative study of porous metal-organic frameworks, ternary quantum dots and their composite as sensors for the electrochemical determination of bisphenol A.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12358","12381","10.1039/d5dt00377f","","","1.54178","CuKα","","0.0358","0.0324","","","0.083","0.0852","","","","","","1.036","","","","has coordinates","302619","2025-10-06","09:11:54",""
"7719051","15.2663","0.0006","25.263","0.0011","9.9566","0.0005","90","","90","","90","","3840","0.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C44 H51 N2 P -","- C44 H51 N2 P -","- C176 H204 N8 P4 -","4","0.5","","Němec, Vlastimil; Samsonov, Maksim A.; Růžičková, Zdeňka; Vrána, Jan; Růžička, Aleš","The investigation of the steric hindrance of anilines by means of reactions with PCl<sub>3</sub> and BCl<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11845","11856","10.1039/d5dt01182e","","","0.71073","MoKα","","0.0684","0.0503","","","0.1356","0.1482","","","","","","1.07","","","","has coordinates","302633","2025-10-06","09:20:18",""
"7719052","9.4491","0.0006","13.208","0.0009","15.3895","0.001","77.096","0.002","73.546","0.002","77.11","0.002","1769.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H45 Cl N P -","- C42 H45 Cl N P -","- C84 H90 Cl2 N2 P2 -","2","1","","Němec, Vlastimil; Samsonov, Maksim A.; Růžičková, Zdeňka; Vrána, Jan; Růžička, Aleš","The investigation of the steric hindrance of anilines by means of reactions with PCl<sub>3</sub> and BCl<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11845","11856","10.1039/d5dt01182e","","","0.71073","MoKα","","0.081","0.0521","","","0.1138","0.128","","","","","","1.044","","","","has coordinates","302633","2025-10-06","09:20:19",""
"7719053","10.3995","0.0007","11.8978","0.0007","12.6174","0.0007","81.018","0.003","73.125","0.003","72.945","0.004","1423.94","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cl2 N P -","- C34 H30 Cl2 N P -","- C68 H60 Cl4 N2 P2 -","2","1","","Němec, Vlastimil; Samsonov, Maksim A.; Růžičková, Zdeňka; Vrána, Jan; Růžička, Aleš","The investigation of the steric hindrance of anilines by means of reactions with PCl<sub>3</sub> and BCl<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11845","11856","10.1039/d5dt01182e","","","0.71073","MoKα","","0.0446","0.0368","","","0.0992","0.105","","","","","","1.041","","","","has coordinates","302633","2025-10-06","09:20:19",""
"7719054","9.4836","0.0004","11.2516","0.0005","13.457","0.0007","85.756","0.002","81.985","0.002","79.055","0.001","1394.38","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cl2 N P -","- C34 H30 Cl2 N P -","- C68 H60 Cl4 N2 P2 -","2","1","","Němec, Vlastimil; Samsonov, Maksim A.; Růžičková, Zdeňka; Vrána, Jan; Růžička, Aleš","The investigation of the steric hindrance of anilines by means of reactions with PCl<sub>3</sub> and BCl<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11845","11856","10.1039/d5dt01182e","","","0.71073","MoKα","","0.0529","0.039","","","0.0925","0.0992","","","","","","1.026","","","","has coordinates","302633","2025-10-06","09:20:19",""
"7719055","21.3526","0.0014","14.6647","0.0008","20.2235","0.0015","90","","107.159","0.003","90","","6050.7","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.2 H38.1 Cl0.15 N1.85 P -","- C35.7 H34.1 Cl0.15 N1.85 P -","- C285.6 H272.8 Cl1.2 N14.8 P8 -","8","1","","Němec, Vlastimil; Samsonov, Maksim A.; Růžičková, Zdeňka; Vrána, Jan; Růžička, Aleš","The investigation of the steric hindrance of anilines by means of reactions with PCl<sub>3</sub> and BCl<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11845","11856","10.1039/d5dt01182e","","","0.71073","MoKα","","0.0685","0.0537","","","0.1381","0.1511","","","","","","1.05","","","","has coordinates,has disorder","302633","2025-10-06","09:20:19",""
"7719056","26.115","0.004","14.884","0.003","23.881","0.005","90","","107.714","0.006","90","","8842","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H56 B Cl2 N -","- C51 H56 B Cl2 N -","- C408 H448 B8 Cl16 N8 -","8","1","","Němec, Vlastimil; Samsonov, Maksim A.; Růžičková, Zdeňka; Vrána, Jan; Růžička, Aleš","The investigation of the steric hindrance of anilines by means of reactions with PCl<sub>3</sub> and BCl<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11845","11856","10.1039/d5dt01182e","","","0.71073","MoKα","","0.1568","0.0968","","","0.274","0.3231","","","","","","1.032","","","","has coordinates,has disorder","302633","2025-10-06","09:20:19",""
"7719057","17.1172","0.001","19.6438","0.0009","17.6044","0.0009","90","","95.981","0.004","90","","5887.2","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 N2 P -","- C36 H35 N2 P -","- C288 H280 N16 P8 -","8","2","","Němec, Vlastimil; Samsonov, Maksim A.; Růžičková, Zdeňka; Vrána, Jan; Růžička, Aleš","The investigation of the steric hindrance of anilines by means of reactions with PCl<sub>3</sub> and BCl<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11845","11856","10.1039/d5dt01182e","","","1.54178","CuKα","","0.0702","0.0558","","","0.1417","0.1521","","","","","","1.041","","","","has coordinates","302633","2025-10-06","09:20:19",""
"7719058","17.0477","0.0009","15.1836","0.0006","17.3378","0.0009","90","","103.423","0.002","90","","4365.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H60 B N -","- C51 H60 B N -","- C204 H240 B4 N4 -","4","1","","Němec, Vlastimil; Samsonov, Maksim A.; Růžičková, Zdeňka; Vrána, Jan; Růžička, Aleš","The investigation of the steric hindrance of anilines by means of reactions with PCl<sub>3</sub> and BCl<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11845","11856","10.1039/d5dt01182e","","","0.71073","MoKα","","0.0816","0.0524","","","0.1361","0.1501","","","","","","1.064","","","","has coordinates,has disorder","302633","2025-10-06","09:20:19",""
"7719059","12.5898","0.0005","15.2776","0.0006","25.4281","0.001","77.036","0.001","83.952","0.001","75.989","0.001","4617.7","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C57 H63 N -","- C57 H63 N -","- C228 H252 N4 -","4","2","","Němec, Vlastimil; Samsonov, Maksim A.; Růžičková, Zdeňka; Vrána, Jan; Růžička, Aleš","The investigation of the steric hindrance of anilines by means of reactions with PCl<sub>3</sub> and BCl<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11845","11856","10.1039/d5dt01182e","","","0.71073","MoKα","","0.0745","0.0577","","","0.1331","0.1439","","","","","","1.029","","","","has coordinates,has disorder","302633","2025-10-06","09:20:19",""
"7719060","12.8269","0.0004","14.3972","0.0005","27.9842","0.001","97.129","0.002","96.066","0.002","110.97","0.001","4725.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C109 H120 Cl4 N2 P2 -","- C109 H120 Cl4 N2 P2 -","- C218 H240 Cl8 N4 P4 -","2","1","","Němec, Vlastimil; Samsonov, Maksim A.; Růžičková, Zdeňka; Vrána, Jan; Růžička, Aleš","The investigation of the steric hindrance of anilines by means of reactions with PCl<sub>3</sub> and BCl<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11845","11856","10.1039/d5dt01182e","","","0.71073","MoKα","","0.0817","0.0651","","","0.1452","0.1535","","","","","","1.078","","","","has coordinates,has disorder","302633","2025-10-06","09:20:19",""
"7719061","12.57379","0.00005","12.57379","0.00005","12.57379","0.00005","90","","90","","90","","1987.92","0.014","297","","297","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Calcium aluminium hydroxide","","Katoite","- Al2 Ca3 H12 O12 -","- Al2 Ca3 O12 -","- Al16 Ca24 O96 -","8","0.0833333","","Shevchenko, Artem; Morell, Keshia; Moudrakovski, Igor; Lotsch, Bettina; Dinnebier, Robert; Bette, Sebastian","Stabilization of the garnet lattice by silicon incorporation in polycrystalline katoite.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12157","12168","10.1039/d5dt01202c","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.0336","","0.0156","","","","","","","has coordinates","302614","2025-10-06","09:10:00",""
"7719062","12.25632","0.00008","12.25632","0.00008","12.25632","0.00008","90","","90","","90","","1841.11","0.02","297","","297","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","Calcium aluminium silicate hydroxide","","Si-Hydrogrossular","- Al2 Ca3 H7.67 O12 Si1.08 -","- Al2 Ca3 O12 Si1.08 -","- Al16 Ca24 O96 Si8.64 -","8","0.0833333","","Shevchenko, Artem; Morell, Keshia; Moudrakovski, Igor; Lotsch, Bettina; Dinnebier, Robert; Bette, Sebastian","Stabilization of the garnet lattice by silicon incorporation in polycrystalline katoite.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12157","12168","10.1039/d5dt01202c","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.0308","","0.0173","","","","","","","has coordinates","302614","2025-10-06","09:10:01",""
"7719063","12.20598","0.00055","12.20598","0.00055","12.20598","0.00055","90","","90","","90","","1818.52","0.14","297","","297","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","Calcium aluminium silicate hydroxide","","Si-Hydrogrossular","- Al2 Ca3 H6.8 O12 Si1.3 -","- Al2 Ca3 O12 Si1.08 -","- Al16 Ca24 O96 Si8.64 -","8","0.0833333","","Shevchenko, Artem; Morell, Keshia; Moudrakovski, Igor; Lotsch, Bettina; Dinnebier, Robert; Bette, Sebastian","Stabilization of the garnet lattice by silicon incorporation in polycrystalline katoite.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12157","12168","10.1039/d5dt01202c","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.0233","","0.0233","","","","","","","has coordinates","302614","2025-10-06","09:10:01",""
"7719064","12.20047","0.00021","12.20047","0.00021","12.20047","0.00021","90","","90","","90","","1816.06","0.05","297","","297","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","Calcium aluminium silicate hydroxide","","Si-Hydrogrossular","- Al2 Ca3 H6.88 O12 Si1.28 -","- Al2 Ca3 O12 Si1.08 -","- Al16 Ca24 O96 Si8.64 -","8","0.0833333","","Shevchenko, Artem; Morell, Keshia; Moudrakovski, Igor; Lotsch, Bettina; Dinnebier, Robert; Bette, Sebastian","Stabilization of the garnet lattice by silicon incorporation in polycrystalline katoite.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12157","12168","10.1039/d5dt01202c","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.0229","","0.0175","","","","","","","has coordinates","302614","2025-10-06","09:10:01",""
"7719065","10.994","0.0014","23.218","0.003","17.421","0.003","90","","99.151","0.004","90","","4390.3","1.1","93","","93","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","C46H36N4O6(CHCl3)0.5(MeCN)2.5","","","- C51.5 H44 Cl1.5 N6.5 O6 -","- C51.5 H43.8025 Cl1.5 N6.5 O6 -","- C206 H175.21 Cl6 N26 O24 -","4","1","","Akine, Shigehisa; Nakano, Masato; Sakata, Yoko; Tsuzuki, Seiji","Synthesis of a xanthene-based macrocyclic imine ligand and two-step planarization by metalation with Ni<sup>2+</sup> and Na<sup/>.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11573","11580","10.1039/d5dt01183c","","","0.71073","MoKα","","0.0749","0.0647","","","0.165","0.1804","","","","","","1.078","","","","has coordinates,has disorder","301600","2025-08-05","22:07:48",""
"7719066","10.7194","0.0004","9.1083","0.0003","26.4196","0.0009","90","","99.796","0.002","90","","2541.88","0.15","93","","93","","","","","","","","","8","P 1 n 1","P -2yac","7","[LNi2Na(Me2SO)2](CF3SO3)(Me2SO)","","","- C53 H50 F3 N4 Na Ni2 O12 S4 -","- C53 H50 F3 N4 Na Ni2 O12 S4 -","- C106 H100 F6 N8 Na2 Ni4 O24 S8 -","2","1","","Akine, Shigehisa; Nakano, Masato; Sakata, Yoko; Tsuzuki, Seiji","Synthesis of a xanthene-based macrocyclic imine ligand and two-step planarization by metalation with Ni<sup>2+</sup> and Na<sup/>.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11573","11580","10.1039/d5dt01183c","","","1.54178","CuKα","","0.0472","0.0363","","","0.0735","0.0777","","","","","","1.006","","","","has coordinates,has disorder","301600","2025-08-05","22:07:49",""
"7719067","16.3754","0.0005","21.6479","0.0006","19.6275","0.0006","90","","111.412","0.001","90","","6477.6","0.3","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","LNi2_0.67H2O_0.67MeOH_1.33Me2SO","","","- C49.33 H44 N4 Ni2 O8.67 S1.33 -","- C49.3333 H44 N4 Ni2 O8.66667 S1.33333 -","- C296 H264 N24 Ni12 O52 S8 -","6","1.5","","Akine, Shigehisa; Nakano, Masato; Sakata, Yoko; Tsuzuki, Seiji","Synthesis of a xanthene-based macrocyclic imine ligand and two-step planarization by metalation with Ni<sup>2+</sup> and Na<sup/>.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11573","11580","10.1039/d5dt01183c","","","1.54178","CuKα","","0.0384","0.0334","","","0.0854","0.0886","","","","","","1.014","","","","has coordinates,has disorder","301600","2025-08-05","22:07:49",""
"7719068","13.8707","0.0001","11.2115","0.0001","6.45445","0.00007","90","","90","","90","","1003.74","0.016","298","","298","","","","1","","","","","3","P n m a","-P 2ac 2n","62","Tetralithium selenidodiphosphate","Tetralithium selenidodiphosphate","","- Li8 P4 Se12 -","- Li8 P4 Se12 -","- Li16 P8 Se24 -","2","0.25","","Neuberger, Sven; Mathew, Neeshma; Adediwura, Sheyi Clement; Sanchez, Hector Javier Cortes; Schmedt Auf der Günne, Jörn","Li<sub>4</sub>P<sub>2</sub>Se<sub>6</sub> - structure and properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11996","12005","10.1039/d5dt00227c","powder diffraction","x-ray","1.54056","CuKα~1~","","3.244","","","","","","","","1.918","","","","","","","has coordinates","302637","2025-10-06","09:21:52",""
"7719069","9.0231","0.0007","13.0696","0.0011","15.6908","0.0014","90","","102.615","0.004","90","","1805.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H21 Mg2 N2 O13 P -","- C9 H21 Mg2 N2 O13 P -","- C36 H84 Mg8 N8 O52 P4 -","4","1","","Shao, Xin; Wang, Xin; Zhao, Wei; Huang, Liangliang; Bi, Yanfeng","A magnesium phosphite-oxalate with 16-MR channels showing ultrahigh proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11156","11161","10.1039/d5dt00576k","","","0.71073","MoKα","","0.0634","0.0481","","","0.1345","0.1513","","","","","","1.034","","","","has coordinates","301578","2025-08-05","21:53:29",""
"7719070","14.675","0.002","23.939","0.003","14.1582","0.0019","90","","91.052","0.005","90","","4973","1.1","120","2","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H38 B2 Co Fe2 N26 O2 -","- C41 H38 B2 Co Fe2 N26 O2 -","- C164 H152 B8 Co4 Fe8 N104 O8 -","4","0.5","","Gao, Yu-Jing; Luo, Ji-Peng; Yin, Nan; Shi, Quan; Meng, Yin-Shan; Liu, Tao","Cyano-bridged {Fe<sub>2</sub>Co} assemblies showing metamagnetic transition and a magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11542","11550","10.1039/d5dt01187f","","","0.71073","MoKα","","0.1467","0.0685","","","0.1317","0.1643","","","","","","1.021","","","","has coordinates","301602","2025-08-05","22:08:33",""
"7719071","14.7794","0.0007","26.5742","0.0013","14.1204","0.0006","90","","90","","90","","5545.8","0.4","120","2","120","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C47 H58 B2 Co Fe2 N22 O3 -","- C47 H58 B2 Co Fe2 N22 O3 -","- C188 H232 B8 Co4 Fe8 N88 O12 -","4","0.25","","Gao, Yu-Jing; Luo, Ji-Peng; Yin, Nan; Shi, Quan; Meng, Yin-Shan; Liu, Tao","Cyano-bridged {Fe<sub>2</sub>Co} assemblies showing metamagnetic transition and a magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11542","11550","10.1039/d5dt01187f","","","0.71073","MoKα","","0.091","0.0555","","","0.1726","0.2267","","","","","","0.841","","","","has coordinates,has disorder","301602","2025-08-05","22:08:33",""
"7719072","9.7228","0.0008","11.0236","0.0009","13.0907","0.0011","74.085","0.004","72.02","0.004","80.958","0.004","1279.35","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H55 Mn N4 O10 -","- C56 H55 Mn N4 O10 -","- C56 H55 Mn N4 O10 -","1","0.5","","Bora, Bidisha; Das, Namisha; Sultana, Jakia Parbin; Raza, Md Kausar; Goswami, Tridib K.","Mn(III) porphyrins as photosensitizers: structural, photophysical and anticancer studies.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11743","11756","10.1039/d4dt03432e","","","0.71073","MoKα","","0.0416","0.0364","","","0.0937","0.0989","","","","","","1.062","","","","has coordinates","301595","2025-08-05","22:04:09",""
"7719073","12.7394","0.0002","9.4803","0.0001","26.7201","0.0004","90","","98.566","0.001","90","","3191.08","0.08","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H63 Cl4 Mn N4 O14 -","- C62 H63 Cl4 Mn N4 O14 -","- C124 H126 Cl8 Mn2 N8 O28 -","2","0.5","","Bora, Bidisha; Das, Namisha; Sultana, Jakia Parbin; Raza, Md Kausar; Goswami, Tridib K.","Mn(III) porphyrins as photosensitizers: structural, photophysical and anticancer studies.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11743","11756","10.1039/d4dt03432e","","","1.54184","CuKα","","0.0594","0.0536","","","0.1531","0.1582","","","","","","1.076","","","","has coordinates","301595","2025-08-05","22:04:09",""
"7719074","9.2702","0.0012","14.4396","0.0018","22.878","0.003","72.099","0.004","89.438","0.005","72.965","0.005","2775.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H57 F4 Mn N4 O12 -","- C59 H57 F4 Mn N4 O12 -","- C118 H114 F8 Mn2 N8 O24 -","2","1","","Bora, Bidisha; Das, Namisha; Sultana, Jakia Parbin; Raza, Md Kausar; Goswami, Tridib K.","Mn(III) porphyrins as photosensitizers: structural, photophysical and anticancer studies.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11743","11756","10.1039/d4dt03432e","","","0.71073","MoKα","","0.1261","0.0707","","","0.1664","0.1932","","","","","","1.039","","","","has coordinates","301595","2025-08-05","22:04:09",""
"7719075","12.7408","0.0009","9.4941","0.0006","27.089","0.0018","90","","100.861","0.004","90","","3218.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H75 Mn N4 O14 -","- C66 H75 Mn N4 O14 -","- C132 H150 Mn2 N8 O28 -","2","0.5","","Bora, Bidisha; Das, Namisha; Sultana, Jakia Parbin; Raza, Md Kausar; Goswami, Tridib K.","Mn(III) porphyrins as photosensitizers: structural, photophysical and anticancer studies.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11743","11756","10.1039/d4dt03432e","","","0.71073","MoKα","","0.1376","0.0948","","","0.2336","0.2596","","","","","","1.066","","","","has coordinates","301595","2025-08-05","22:04:09",""
"7719076","14.8243","0.0002","20.7799","0.0003","15.5557","0.0002","90","","106.252","0.001","90","","4600.41","0.11","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 Cl N3 O7 U -","- C47 H56 Cl N3 O7 U -","- C188 H224 Cl4 N12 O28 U4 -","4","1","","Saccone, Marco; Valkonen, Arto; Rissanen, Kari; Cametti, Massimo","X-ray crystallographic and computational studies of quaternary ammonium chloride salt complexes with uranyl-salophen compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15043","15054","10.1039/d5dt01115a","","","0.71073","MoKα","","0.0548","0.0373","","","0.0721","0.0774","","","","","","1.041","","","","has coordinates,has disorder","303807","2025-11-29","20:59:27",""
"7719077","14.1252","0.0003","20.4511","0.0004","15.7079","0.0003","90","","104.395","0.001","90","","4395.17","0.15","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H52.66 Cl N3 O7.33 U -","- C45 H52.66 Cl N3 O7.33 U -","- C180 H210.64 Cl4 N12 O29.32 U4 -","4","1","","Saccone, Marco; Valkonen, Arto; Rissanen, Kari; Cametti, Massimo","X-ray crystallographic and computational studies of quaternary ammonium chloride salt complexes with uranyl-salophen compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15043","15054","10.1039/d5dt01115a","","","0.71073","MoKα","","0.0615","0.0392","","","0.0684","0.0749","","","","","","1.018","","","","has coordinates,has disorder","303807","2025-11-29","20:59:31",""
"7719078","9.05112","0.00006","10.38233","0.00008","15.81224","0.0001","102.113","0.0006","95.2335","0.0005","115.435","0.0007","1284.04","0.018","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C32 H42 Mn -","- C32 H42 Mn -","- C64 H84 Mn2 -","2","1","","Evans, Alexander; Arnold, Thomas A. Q.; Ransom, Paul; Binding, Samantha C.; Myers, William K.; Crumpton, Agamemnon E.; Turner, Zoë R; Buffet, Jean-Charles; O'Hare, Dermot","Synthesis, characterisation, and magnetic properties of a permethylindenyl manganocene.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11427","11433","10.1039/d5dt01345c","","x-ray","1.54184","CuKα","","0.0299","0.029","","","0.0804","0.081","","","","","","1.079","","","","has coordinates","301575","2025-08-05","21:51:33",""
"7719079","13.0353","0.0004","10.9285","0.0004","9.0453","0.0003","90","","91.765","0.003","90","","1287.95","0.07","150.01","0.1","150.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 -","- C16 H22 -","- C64 H88 -","4","1","","Evans, Alexander; Arnold, Thomas A. Q.; Ransom, Paul; Binding, Samantha C.; Myers, William K.; Crumpton, Agamemnon E.; Turner, Zoë R; Buffet, Jean-Charles; O'Hare, Dermot","Synthesis, characterisation, and magnetic properties of a permethylindenyl manganocene.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11427","11433","10.1039/d5dt01345c","","","1.54184","CuKα","","0.0565","0.047","","","0.1368","0.1431","","","","","","1.086","","","","has coordinates","301575","2025-08-05","21:51:34",""
"7719080","8.8818","0.0002","25.5076","0.0008","13.0252","0.0003","90","","92.435","0.002","90","","2948.24","0.13","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zinc(II) di-salicylate di-metronidazole","","- C26 H28 N6 O12 Zn -","- C26 H28 N6 O12 Zn -","- C104 H112 N24 O48 Zn4 -","4","1","","Contini, Laura; Turner, Raymond J.; Grepioni, Fabrizia","Zinc(II), copper(II) and silver(I) salicylate-metronidazole complexes as novel antimicrobial agents.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11925","11934","10.1039/d5dt01086a","","","0.71073","MoKα","","0.0749","0.0453","","","0.083","0.0919","","","","","","1.045","","","","has coordinates,has disorder","302636","2025-10-06","09:21:30",""
"7719081","7.4945","0.0003","7.4847","0.0002","50.9813","0.0019","90","","91.718","0.003","90","","2858.46","0.17","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ag(Sal)(MET)","","- C26 H28 Ag2 N6 O12 -","- C26 H28 Ag2 N6 O12 -","- C104 H112 Ag8 N24 O48 -","4","1","","Contini, Laura; Turner, Raymond J.; Grepioni, Fabrizia","Zinc(II), copper(II) and silver(I) salicylate-metronidazole complexes as novel antimicrobial agents.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11925","11934","10.1039/d5dt01086a","","x-ray","0.71073","MoKα","","0.1038","0.0657","","","0.1097","0.1227","","","","","","1.137","","","","has coordinates","302636","2025-10-06","09:21:30",""
"7719082","14.4255","0.0007","14.5018","0.0006","15.2572","0.0007","71.91","0.004","87.96","0.004","89.334","0.004","3032","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","[Cu(MET)2(Sal)2(H2O)]","","- C52 H60 Cu2 N12 O26 -","- C52 H60 Cu2 N12 O26 -","- C104 H120 Cu4 N24 O52 -","2","1","","Contini, Laura; Turner, Raymond J.; Grepioni, Fabrizia","Zinc(II), copper(II) and silver(I) salicylate-metronidazole complexes as novel antimicrobial agents.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11925","11934","10.1039/d5dt01086a","","x-ray","0.71073","MoKα","","0.0842","0.0593","","","0.1349","0.1495","","","","","","1.058","","","","has coordinates,has disorder","302636","2025-10-06","09:21:31",""
"7719083","15.2859","0.0003","15.2859","0.0003","26.8974","0.0009","90","","90","","90","","6284.8","0.3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","[Cu(MET)2(SAL)2(H2O)]","","- C26 H30 Cu N6 O13 -","- C26 H30 Cu N6 O13 -","- C208 H240 Cu8 N48 O104 -","8","0.5","","Contini, Laura; Turner, Raymond J.; Grepioni, Fabrizia","Zinc(II), copper(II) and silver(I) salicylate-metronidazole complexes as novel antimicrobial agents.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11925","11934","10.1039/d5dt01086a","","x-ray","0.71073","MoKα","","0.1022","0.0592","","","0.1131","0.1312","","","","","","1.032","","","","has coordinates","302636","2025-10-06","09:21:31",""
"7719084","34.2296","0.001","8.3588","0.0003","10.1499","0.0003","90","","90","","90","","2904.07","0.16","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","[Zn(Sal)2(MET)2] form 2","","- C26 H28 N6 O12 Zn -","- C26 H28 N6 O12 Zn -","- C104 H112 N24 O48 Zn4 -","4","1","","Contini, Laura; Turner, Raymond J.; Grepioni, Fabrizia","Zinc(II), copper(II) and silver(I) salicylate-metronidazole complexes as novel antimicrobial agents.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11925","11934","10.1039/d5dt01086a","","x-ray","0.71073","MoKα","","0.066","0.0477","","","0.085","0.0908","","","","","","1.088","","","","has coordinates","302636","2025-10-06","09:21:31",""
"7719085","12.1282","0.0008","11.1151","0.0005","39.4454","0.0016","90","","90","","90","","5317.5","0.5","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H32 N O P -","- C31 H32 N O P -","- C248 H256 N8 O8 P8 -","8","1","","Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Sterically hindered P,N-type amidophosphines {{(<i>o</i>-PPh<sub>2</sub>)C<sub>6</sub>H<sub>4</sub>}C(O)NH(R)}: synthesis, transition metal chemistry, and catalytic activity in stereoselective Heck coupling of aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11551","11562","10.1039/d5dt01353d","","x-ray","0.71073","MoKα","","0.075","0.0473","","","0.106","0.1213","","","","","","1.028","","","","has coordinates","301598","2025-08-05","22:06:12",""
"7719086","9.7141","0.0006","14.3721","0.0009","19.5667","0.0011","90","","96.442","0.002","90","","2714.5","0.3","150","2","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 Cl N O P Pd -","- C31 H31 Cl N O P Pd -","- C124 H124 Cl4 N4 O4 P4 Pd4 -","4","1","","Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Sterically hindered P,N-type amidophosphines {{(<i>o</i>-PPh<sub>2</sub>)C<sub>6</sub>H<sub>4</sub>}C(O)NH(R)}: synthesis, transition metal chemistry, and catalytic activity in stereoselective Heck coupling of aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11551","11562","10.1039/d5dt01353d","","","0.71073","MoKα","","0.0706","0.045","","","0.1106","0.1272","","","","","","1.06","","","","has coordinates","301598","2025-08-05","22:06:13",""
"7719087","9.039","0.002","19.088","0.005","16.471","0.004","90","","101.545","0.006","90","","2784.4","1.2","150","2","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 Ag Br N O P -","- C31 H31 Ag Br N O P -","- C124 H124 Ag4 Br4 N4 O4 P4 -","4","1","","Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Sterically hindered P,N-type amidophosphines {{(<i>o</i>-PPh<sub>2</sub>)C<sub>6</sub>H<sub>4</sub>}C(O)NH(R)}: synthesis, transition metal chemistry, and catalytic activity in stereoselective Heck coupling of aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11551","11562","10.1039/d5dt01353d","","","0.71073","MoKα","","0.0361","0.0295","","","0.077","0.0808","","","","","","1.039","","","","has coordinates","301598","2025-08-05","22:06:13",""
"7719088","13.0407","0.0008","21.4357","0.0014","24.4894","0.0016","90","","91.579","0.002","90","","6843.1","0.8","150","2","150","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 Ag B Cl2 F4 N O P -","- C34 H38 Ag B Cl2 F4 N O P -","- C272 H304 Ag8 B8 Cl16 F32 N8 O8 P8 -","8","1","","Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Sterically hindered P,N-type amidophosphines {{(<i>o</i>-PPh<sub>2</sub>)C<sub>6</sub>H<sub>4</sub>}C(O)NH(R)}: synthesis, transition metal chemistry, and catalytic activity in stereoselective Heck coupling of aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11551","11562","10.1039/d5dt01353d","","","0.71073","MoKα","","0.0467","0.0427","","","0.122","0.1252","","","","","","1.085","","","","has coordinates","301598","2025-08-05","22:06:13",""
"7719089","12.5989","0.0004","15.273","0.0003","18.2073","0.0005","90","","102.016","0.003","90","","3426.74","0.16","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38 Cu I N3 O P -","- C35 H38 Cu I N3 O P -","- C140 H152 Cu4 I4 N12 O4 P4 -","4","1","","Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Sterically hindered P,N-type amidophosphines {{(<i>o</i>-PPh<sub>2</sub>)C<sub>6</sub>H<sub>4</sub>}C(O)NH(R)}: synthesis, transition metal chemistry, and catalytic activity in stereoselective Heck coupling of aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11551","11562","10.1039/d5dt01353d","","x-ray","0.71073","MoKα","","0.0841","0.0409","","","0.0881","0.1008","","","","","","1.045","","","","has coordinates","301598","2025-08-05","22:06:13",""
"7719090","8.3353","0.0003","16.5259","0.0006","16.8581","0.0006","71.863","0.003","78.627","0.003","77.25","0.003","2131.6","0.14","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H45 N2 O2 P -","- C54 H45 N2 O2 P -","- C108 H90 N4 O4 P2 -","2","1","","Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Sterically hindered P,N-type amidophosphines {{(<i>o</i>-PPh<sub>2</sub>)C<sub>6</sub>H<sub>4</sub>}C(O)NH(R)}: synthesis, transition metal chemistry, and catalytic activity in stereoselective Heck coupling of aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11551","11562","10.1039/d5dt01353d","","x-ray","0.71073","MoKα","","0.0667","0.0539","","","0.1441","0.1553","","","","","","1.035","","","","has coordinates","301598","2025-08-05","22:06:13",""
"7719091","38.197","0.006","8.4181","0.0018","26.215","0.005","90","","90.74","0.006","90","","8429","3","150","2","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 Cu I N O P -","- C52 H42 Cu I N O P -","- C416 H336 Cu8 I8 N8 O8 P8 -","8","1","","Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Sterically hindered P,N-type amidophosphines {{(<i>o</i>-PPh<sub>2</sub>)C<sub>6</sub>H<sub>4</sub>}C(O)NH(R)}: synthesis, transition metal chemistry, and catalytic activity in stereoselective Heck coupling of aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11551","11562","10.1039/d5dt01353d","","","0.71073","MoKα","","0.0446","0.0326","","","0.08","0.0862","","","","","","1.018","","","","has coordinates","301598","2025-08-05","22:06:13",""
"7719092","13.1281","0.0002","21.3078","0.0003","24.5213","0.0004","90","","91.818","0.001","90","","6855.91","0.18","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H36 Ag Cl4 N O5 P -","- C33 H36 Ag Cl4 N O5 P -","- C264 H288 Ag8 Cl32 N8 O40 P8 -","8","1","","Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Sterically hindered P,N-type amidophosphines {{(<i>o</i>-PPh<sub>2</sub>)C<sub>6</sub>H<sub>4</sub>}C(O)NH(R)}: synthesis, transition metal chemistry, and catalytic activity in stereoselective Heck coupling of aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11551","11562","10.1039/d5dt01353d","","x-ray","0.71073","MoKα","","0.0571","0.0513","","","0.1511","0.1563","","","","","","1.065","","","","has coordinates","301598","2025-08-05","22:06:13",""
"7719093","12.9439","0.001","40.209","0.003","23.9601","0.0019","90","","103.245","0.003","90","","12138.6","1.6","150","2","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C63 H58 Cl3 F6.5 N O P2 Ru -","- C63 H58 Cl3 F6.5 N O P2 Ru -","- C504 H464 Cl24 F52 N8 O8 P16 Ru8 -","8","1","","Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Sterically hindered P,N-type amidophosphines {{(<i>o</i>-PPh<sub>2</sub>)C<sub>6</sub>H<sub>4</sub>}C(O)NH(R)}: synthesis, transition metal chemistry, and catalytic activity in stereoselective Heck coupling of aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11551","11562","10.1039/d5dt01353d","","","0.71073","MoKα","","0.0965","0.0548","","","0.1146","0.142","","","","","","1.047","","","","has coordinates","301598","2025-08-05","22:06:13",""
"7719094","20.1836","0.0003","14.8154","0.0002","19.177","0.0003","90","","91.964","0.002","90","","5731.09","0.15","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H68 N2 O6 P2 Pd2 -","- C66 H68 N2 O6 P2 Pd2 -","- C264 H272 N8 O24 P8 Pd8 -","4","1","","Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.","Sterically hindered P,N-type amidophosphines {{(<i>o</i>-PPh<sub>2</sub>)C<sub>6</sub>H<sub>4</sub>}C(O)NH(R)}: synthesis, transition metal chemistry, and catalytic activity in stereoselective Heck coupling of aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11551","11562","10.1039/d5dt01353d","","x-ray","0.71073","MoKα","","0.0458","0.0305","","","0.0679","0.0738","","","","","","1.026","","","","has coordinates","301598","2025-08-05","22:06:13",""
"7719095","19.3853","0.0003","19.3853","0.0003","26.1587","0.0005","90","","90","","90","","9830.2","0.3","150","","150","","","","","","","","","6","I -4","I -4","82","","","","- Ag3.4 As4 H24 Na24.6 O210 W40 -","- Ag3.4 As4 Na24.6 O198 W40 -","- Ag6.8 As8 Na49.2 O396 W80 -","2","0.25","","Sun, Yahao; Cai, Minzhen; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Crown-type tetranuclear Ag-POM exhibits excellent proton conductivity performance.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11953","11957","10.1039/d5dt01141h","","x-ray","0.71073","MoKα","","0.027","0.0254","","","0.0608","0.0617","","","","","","1.023","","","","has coordinates,has disorder","302634","2025-10-06","09:20:47",""
"7719096","9.951","0.004","10.316","0.004","10.818","0.004","63.195","0.012","76.282","0.013","64.08","0.012","890.4","0.6","295","2","295","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H6 Mo3 N O13 S -","- C5 H6 Mo3 N O13 S -","- C10 H12 Mo6 N2 O26 S2 -","2","1","","Pardiwala, Ankita; Jangir, Ritambhara","An α-MoO<sub>3</sub> hybrid with sulfuric acid-intercalated 4,4'-bipyridine for adsorptive dye removal.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12277","12292","10.1039/d5dt01311a","","","0.71073","MoKα","","0.0873","0.0587","","","0.1634","0.1943","","","","","","1.225","","","","has coordinates","302615","2025-10-06","09:10:11",""
"7719097","7.9141","0.0001","8.0064","0.0001","8.0852","0.0001","88.628","0.001","71.294","0.001","72.043","0.001","460.008","0.011","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 N O6 Sr -","- C7 H7 N O6 Sr -","- C14 H14 N2 O12 Sr2 -","2","1","","Firdaus, Shama; Waris, ?; Tameem, Mohd; Ali, Arif; Dilshad, Sumra; Ahmad, Musheer; Khan, Mohammad Zain; Ali, Farman; Ahmad, Aiman","Bifunctional Sr(II)-based coordination polymer for sensing of Ba(II)/nitroaromatic compounds and supercapacitor applications.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12391","12404","10.1039/d5dt00731c","","","0.71073","MoKα","","0.021","0.0188","","","0.0425","0.043","","","","","","1.0508","","","","has coordinates","302610","2025-10-06","09:08:02",""
"7719098","11.243","0.0005","12.2677","0.0005","15.3833","0.0007","100.271","0.0009","96.29","0.0009","90.5628","0.0009","2074.25","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H52 B2 N4 O7 -","- C46 H52 B2 N4 O7 -","- C92 H104 B4 N8 O14 -","2","1","","Viviano-Posadas, Alejandro O; Valdes-García, Josue; Salomón-Flores, María K; Martínez-Otero, Diego; Bautista-Renedo, Joanatan M; González-Rivas, Nelly; Sánchez-Vidal, Hilda; German-Acacio, Juan M; Valdés-Martínez, Jesús; Dorazco-González, Alejandro","Fluorescent chemosensing of epinephrine by a bis-boronic molecular receptor in aqueous media: crystal structure, spectroscopic studies and visual detection.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12259","12276","10.1039/d5dt00784d","","","0.71073","MoKα","","0.0552","0.0488","","","0.1246","0.1296","","","","","","1.034","","","","has coordinates,has disorder","302613","2025-10-06","09:09:40",""
"7719099","5.789","0.0001","19.3497","0.0004","22.1557","0.0004","90","","90","","90","","2481.78","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H26 N4 -","- C34 H26 N4 -","- C136 H104 N16 -","4","1","","Viviano-Posadas, Alejandro O; Valdes-García, Josue; Salomón-Flores, María K; Martínez-Otero, Diego; Bautista-Renedo, Joanatan M; González-Rivas, Nelly; Sánchez-Vidal, Hilda; German-Acacio, Juan M; Valdés-Martínez, Jesús; Dorazco-González, Alejandro","Fluorescent chemosensing of epinephrine by a bis-boronic molecular receptor in aqueous media: crystal structure, spectroscopic studies and visual detection.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12259","12276","10.1039/d5dt00784d","","","1.54178","CuKα","","0.0288","0.0281","","","0.0689","0.0694","","","","","","1.078","","","","has coordinates","302613","2025-10-06","09:09:41",""
"7719100","25.2527","0.0004","7.0576","0.0001","15.496","0.0002","90","","99.576","0.002","90","","2723.27","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Cl2 N4 Ni P -","- C23 H31 Cl2 N4 Ni P -","- C92 H124 Cl8 N16 Ni4 P4 -","4","1","","Ngwenya, Vuyelwa; Stevens, Michael A.; Gardiner, Michael G.; Colebatch, Annie L.","Nickel-ruthenium heterobimetallic complexes of a dinucleating unsymmetrical pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11935","11942","10.1039/d5dt01568e","","","1.54184","CuKα","","0.0497","0.0406","","","0.1031","0.1077","","","","","","1.041","","","","has coordinates,has disorder","302632","2025-10-06","09:19:14",""
"7719101","8.3272","0.0003","14.4208","0.0004","19.5888","0.0006","70.89","0.003","84.826","0.003","84.255","0.002","2207.4","0.13","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H31 N4 P -","- C23 H31 N4 P -","- C92 H124 N16 P4 -","4","2","","Ngwenya, Vuyelwa; Stevens, Michael A.; Gardiner, Michael G.; Colebatch, Annie L.","Nickel-ruthenium heterobimetallic complexes of a dinucleating unsymmetrical pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11935","11942","10.1039/d5dt01568e","","x-ray","1.54184","CuKα","","0.0939","0.0724","","","0.1895","0.2057","","","","","","1.017","","","","has coordinates","302632","2025-10-06","09:19:14",""
"7719102","8.1249","0.0002","16.7989","0.0005","19.9915","0.0006","82.628","0.002","79.561","0.002","89.335","0.002","2661.09","0.13","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C23 H30 Cl3 Fe N4 Ni P -","- C23 H30 Cl3 Fe N4 Ni P -","- C92 H120 Cl12 Fe4 N16 Ni4 P4 -","4","2","","Ngwenya, Vuyelwa; Stevens, Michael A.; Gardiner, Michael G.; Colebatch, Annie L.","Nickel-ruthenium heterobimetallic complexes of a dinucleating unsymmetrical pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11935","11942","10.1039/d5dt01568e","","x-ray","1.54184","CuKα","","0.0675","0.0594","","","0.1599","0.1636","","","","","","1.143","","","","has coordinates","302632","2025-10-06","09:19:16",""
"7719103","10.6692","0.0002","16.4671","0.0003","18.7338","0.0003","71.905","0.001","84.403","0.001","76.908","0.001","3045.94","0.1","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H62 Cl N4 O P3 Ru -","- C60 H62 Cl N4 O P3 Ru -","- C120 H124 Cl2 N8 O2 P6 Ru2 -","2","1","","Ngwenya, Vuyelwa; Stevens, Michael A.; Gardiner, Michael G.; Colebatch, Annie L.","Nickel-ruthenium heterobimetallic complexes of a dinucleating unsymmetrical pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11935","11942","10.1039/d5dt01568e","","x-ray","1.54184","CuKα","","0.0509","0.0475","","","0.1326","0.1351","","","","","","1.084","","","","has coordinates,has disorder","302632","2025-10-06","09:19:16",""
"7719104","11.662","0.0003","15.6659","0.0004","22.5432","0.0005","83.112","0.002","85.95","0.002","70.585","0.002","3854.23","0.17","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C65 H66 Cl17 N4 Ni O P3 Ru -","- C65 H66 Cl17 N4 Ni O P3 Ru -","- C130 H132 Cl34 N8 Ni2 O2 P6 Ru2 -","2","1","","Ngwenya, Vuyelwa; Stevens, Michael A.; Gardiner, Michael G.; Colebatch, Annie L.","Nickel-ruthenium heterobimetallic complexes of a dinucleating unsymmetrical pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11935","11942","10.1039/d5dt01568e","","","1.54184","CuKα","","0.0587","0.0482","","","0.1206","0.1261","","","","","","1.031","","","","has coordinates","302632","2025-10-06","09:19:16",""
"7719105","12.1699","0.0002","36.2536","0.0003","15.8549","0.0002","90","","110.145","0.002","90","","6567.28","0.17","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H62 Cl4 N4 Ni P3 Ru -","- C60 H62 Cl4 N4 Ni P3 Ru -","- C240 H248 Cl16 N16 Ni4 P12 Ru4 -","4","1","","Ngwenya, Vuyelwa; Stevens, Michael A.; Gardiner, Michael G.; Colebatch, Annie L.","Nickel-ruthenium heterobimetallic complexes of a dinucleating unsymmetrical pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11935","11942","10.1039/d5dt01568e","","","1.54184","CuKα","","0.0641","0.0532","","","0.135","0.1409","","","","","","1.037","","","","has coordinates","302632","2025-10-06","09:19:16",""
"7719106","24.61625","0.00015","10.04885","0.00006","46.1456","0.0003","90","","91.4455","0.0005","90","","11411.2","0.12","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H126 Cl8 N8 P6 Ru2 -","- C120 H126 Cl8 N8 P6 Ru2 -","- C480 H504 Cl32 N32 P24 Ru8 -","4","1","","Ngwenya, Vuyelwa; Stevens, Michael A.; Gardiner, Michael G.; Colebatch, Annie L.","Nickel-ruthenium heterobimetallic complexes of a dinucleating unsymmetrical pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11935","11942","10.1039/d5dt01568e","","x-ray","1.54184","CuKα","","0.0543","0.0464","","","0.1279","0.134","","","","","","1.05","","","","has coordinates","302632","2025-10-06","09:19:16",""
"7719107","15.5958","0.0014","14.1604","0.001","17.7746","0.0015","90","","102.104","0.003","90","","3838.1","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H60 B10 N P -","- C34 H60 B10 N P -","- C136 H240 B40 N4 P4 -","4","1","","Haidar Ahmad, Zainab; Cordier, Marie; Naoufal, Daoud; Darcel, Christophe","Synthesis and characterization of <i>closo</i>-decahydrido-decaborate-phosphine mediated by palladium(0) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12135","12140","10.1039/d5dt01302j","","x-ray","0.71073","MoKα","","0.093","0.0667","","","0.1451","0.1609","","","","","","1.081","","","","has coordinates,has disorder","302611","2025-10-06","09:08:45",""
"7719108","10.507","0.0014","12.7988","0.0015","18.851","0.002","75.187","0.004","79.454","0.005","77.942","0.005","2374.1","0.5","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C34 H78 B10 N P -","- C34 H78 B10 N P -","- C68 H156 B20 N2 P2 -","2","1","","Haidar Ahmad, Zainab; Cordier, Marie; Naoufal, Daoud; Darcel, Christophe","Synthesis and characterization of <i>closo</i>-decahydrido-decaborate-phosphine mediated by palladium(0) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12135","12140","10.1039/d5dt01302j","","x-ray","0.71073","MoKα","","0.1662","0.1371","","","0.3297","0.3546","","","","","","1.03","","","","has coordinates,has disorder","302611","2025-10-06","09:08:46",""
"7719109","20.055","0.003","21.695","0.003","23.026","0.003","86.775","0.004","89.378","0.004","89.376","0.004","10001","2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C40 H54 B10 F18 N P -","- C40 H54 B10 F18 N P -","- C320 H432 B80 F144 N8 P8 -","8","4","","Haidar Ahmad, Zainab; Cordier, Marie; Naoufal, Daoud; Darcel, Christophe","Synthesis and characterization of <i>closo</i>-decahydrido-decaborate-phosphine mediated by palladium(0) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12135","12140","10.1039/d5dt01302j","","x-ray","0.71073","MoKα","","0.1524","0.1122","","","0.2606","0.2862","","","","","","1.045","","","","has coordinates,has disorder","302611","2025-10-06","09:08:46",""
"7719110","10.4723","0.001","18.3161","0.0016","23.317","0.003","90","","98.673","0.005","90","","4421.3","0.8","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H66 B10 N P -","- C37 H66 B10 N P -","- C148 H264 B40 N4 P4 -","4","1","","Haidar Ahmad, Zainab; Cordier, Marie; Naoufal, Daoud; Darcel, Christophe","Synthesis and characterization of <i>closo</i>-decahydrido-decaborate-phosphine mediated by palladium(0) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12135","12140","10.1039/d5dt01302j","","x-ray","0.71073","MoKα","","0.1599","0.1288","","","0.3513","0.3755","","","","","","1.456","","","","has coordinates,has disorder","302611","2025-10-06","09:08:46",""
"7719111","9.756","0.0011","18.4904","0.0016","23.185","0.002","90","","100.264","0.004","90","","4115.5","0.7","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H66 B10 N P -","- C37 H66 B10 N P -","- C148 H264 B40 N4 P4 -","4","1","","Haidar Ahmad, Zainab; Cordier, Marie; Naoufal, Daoud; Darcel, Christophe","Synthesis and characterization of <i>closo</i>-decahydrido-decaborate-phosphine mediated by palladium(0) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12135","12140","10.1039/d5dt01302j","","x-ray","0.71073","MoKα","","0.1194","0.0865","","","0.2067","0.2314","","","","","","1.028","","","","has coordinates,has disorder","302611","2025-10-06","09:08:46",""
"7719112","10.3","0.0015","17.292","0.003","23.231","0.004","90.015","0.006","101.885","0.006","90.362","0.007","4048.8","1.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C34 H57 B10 Cl3 N P -","- C34 H57 B10 Cl3 N P -","- C136 H228 B40 Cl12 N4 P4 -","4","2","","Haidar Ahmad, Zainab; Cordier, Marie; Naoufal, Daoud; Darcel, Christophe","Synthesis and characterization of <i>closo</i>-decahydrido-decaborate-phosphine mediated by palladium(0) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12135","12140","10.1039/d5dt01302j","","x-ray","0.71073","MoKα","","0.0882","0.0722","","","0.1586","0.1703","","","","","","1.116","","","","has coordinates,has disorder","302611","2025-10-06","09:08:46",""
"7719113","6.8208","0.0003","23.0476","0.0009","21.3553","0.001","90","","98.587","0.004","90","","3319.5","0.3","293.02","0.1","293.02","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H21 Cu I3 N2 O2.5 -","- C8 H21 Cu I3 N2 O2.5 -","- C64 H168 Cu8 I24 N16 O20 -","8","1","","Wang, Yihao; Yan, Zhengguang; Li, Chen; Du, Yiping; Xiao, Jiawen","Efficient single-phase tunable dual-color emission copper(I) scintillators for X-ray imaging.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11732","11742","10.1039/d5dt01122a","","x-ray","0.71073","MoKα","","0.0399","0.0267","","","0.0532","0.0587","","","","","","1.027","","","","has coordinates","301603","2025-08-05","22:08:46",""
"7719114","6.6459","0.0004","11.1395","0.0008","11.3357","0.0007","104.956","0.006","104.126","0.006","104.264","0.006","742.16","0.1","293.7","0.16","293.7","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C16 H42 Cl6 Cu2 N4 O5 -","- C16 H42 Cl6 Cu2 N4 O5 -","- C16 H42 Cl6 Cu2 N4 O5 -","1","0.5","","Wang, Yihao; Yan, Zhengguang; Li, Chen; Du, Yiping; Xiao, Jiawen","Efficient single-phase tunable dual-color emission copper(I) scintillators for X-ray imaging.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11732","11742","10.1039/d5dt01122a","","x-ray","0.71073","MoKα","","0.0952","0.0789","","","0.2113","0.2205","","","","","","1.125","","","","has coordinates,has disorder","301603","2025-08-05","22:08:47",""
"7719115","6.7234","0.0002","11.1613","0.0003","11.6567","0.0004","105.778","0.003","104.598","0.002","101.286","0.002","781.13","0.05","293.3","0.4","293.3","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C16 H44 Br6 Cu2 N4 O5 -","- C16 H44 Br6 Cu2 N4 O5 -","- C16 H44 Br6 Cu2 N4 O5 -","1","0.5","","Wang, Yihao; Yan, Zhengguang; Li, Chen; Du, Yiping; Xiao, Jiawen","Efficient single-phase tunable dual-color emission copper(I) scintillators for X-ray imaging.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11732","11742","10.1039/d5dt01122a","","x-ray","0.71073","MoKα","","0.0886","0.0765","","","0.1798","0.1849","","","","","","1.165","","","","has coordinates,has disorder","301603","2025-08-05","22:08:47",""
"7719116","13.1933","0.0001","22.8744","0.0001","20.8119","0.0001","90","","100.153","0.001","90","","6182.44","0.06","153","","153","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C75 H62 B Cu F4 O P4 -","- C72 H56 B Cu F4 P4 -","- C288 H224 B4 Cu4 F16 P16 -","4","1","","Saha, Priya; Tomita, Ryunosuke; Tsuneda, Takao; Jiang, Pingyu; Taketsugu, Tetsuya; Jin, Mingoo; Huang, Dennis Chung-Yang","Homoleptic copper(I)-bisphosphine complexes as photoredox catalysts.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11725","11731","10.1039/d5dt01099c","","x-ray","1.54184","CuKα","","0.0398","0.0387","","","0.1055","0.1063","","","","","","1.028","","","","has coordinates,has disorder","301599","2025-08-05","22:07:27",""
"7719117","13.55747","0.0001","12.57977","0.00009","14.98164","0.0001","90","","100.535","0.0007","90","","2512.04","0.03","153","","153","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C60 H48 B Cu F4 P4 -","- C60 H48 B Cu F4 P4 -","- C120 H96 B2 Cu2 F8 P8 -","2","0.5","","Saha, Priya; Tomita, Ryunosuke; Tsuneda, Takao; Jiang, Pingyu; Taketsugu, Tetsuya; Jin, Mingoo; Huang, Dennis Chung-Yang","Homoleptic copper(I)-bisphosphine complexes as photoredox catalysts.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11725","11731","10.1039/d5dt01099c","","x-ray","1.54184","CuKα","","0.0285","0.0278","","","0.073","0.0735","","","","","","1.033","","","","has coordinates,has disorder","301599","2025-08-05","22:07:27",""
"7719118","32.6587","0.0013","14.7541","0.0002","25.9909","0.001","90","","128.902","0.006","90","","9746.2","1","153","","153","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C104 H88 B2 Cl4 Cu2 F8 Fe3 P6 -","- C102 H84 B2 Cu2 F8 Fe3 P6 -","- C408 H336 B8 Cu8 F32 Fe12 P24 -","4","0.5","","Saha, Priya; Tomita, Ryunosuke; Tsuneda, Takao; Jiang, Pingyu; Taketsugu, Tetsuya; Jin, Mingoo; Huang, Dennis Chung-Yang","Homoleptic copper(I)-bisphosphine complexes as photoredox catalysts.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11725","11731","10.1039/d5dt01099c","","x-ray","1.54184","CuKα","","0.0334","0.0308","","","0.0782","0.0798","","","","","","1.006","","","","has coordinates","301599","2025-08-05","22:07:27",""
"7719119","20.1381","0.0001","24.5142","0.0001","24.8289","0.0001","90","","90","","90","","12257.3","0.09","153","","153","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C72 H56 B Cu F4 O2 P4 -","- C72 H56 B Cu F4 O2 P4 -","- C576 H448 B8 Cu8 F32 O16 P32 -","8","1","","Saha, Priya; Tomita, Ryunosuke; Tsuneda, Takao; Jiang, Pingyu; Taketsugu, Tetsuya; Jin, Mingoo; Huang, Dennis Chung-Yang","Homoleptic copper(I)-bisphosphine complexes as photoredox catalysts.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11725","11731","10.1039/d5dt01099c","","x-ray","1.54184","CuKα","","0.0349","0.0323","","","0.084","0.0856","","","","","","1.026","","","","has coordinates,has disorder","301599","2025-08-05","22:07:27",""
"7719120","18.3976","0.0001","18.271","0.0001","18.6164","0.0001","90","","90","","90","","6257.76","0.06","153","","153","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C78 H64 B Cu F4 O2 P4 -","- C78 H64 B Cu F4 O2 P4 -","- C312 H256 B4 Cu4 F16 O8 P16 -","4","0.5","","Saha, Priya; Tomita, Ryunosuke; Tsuneda, Takao; Jiang, Pingyu; Taketsugu, Tetsuya; Jin, Mingoo; Huang, Dennis Chung-Yang","Homoleptic copper(I)-bisphosphine complexes as photoredox catalysts.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11725","11731","10.1039/d5dt01099c","","x-ray","1.54184","CuKα","","0.0744","0.0733","","","0.1463","0.1467","","","","","","1.0057","","","","has coordinates,has disorder","301599","2025-08-05","22:07:27",""
"7719121","14.2054","0.0009","25.3201","0.0016","26.965","0.0015","106.406","0.002","94.011","0.002","100.8","0.002","9061.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H149 Ce2 N3 O20 Si5 -","- C66 H149 Ce2 N3 O20 Si5 -","- C264 H596 Ce8 N12 O80 Si20 -","4","2","","Friedrich, Jochen; Riedmaier, Jonas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Stepwise azido transfer to cerous tris(<i>tert</i>-butoxy)siloxide <i>via</i> trans-silylation with Me<sub>3</sub>SiN<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12141","12144","10.1039/d5dt01051a","","","0.71073","MoKα","","0.1327","0.0609","","","0.1091","0.1348","","","","","","0.988","","","","has coordinates,has disorder","302612","2025-10-06","09:09:25",""
"7719122","34.146","0.0011","24.5317","0.0008","19.3428","0.0006","90","","95.477","0.001","90","","16128.7","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C117 H240 Ce4 N12 O32 Si8 -","- C117 H239 Ce4 N12 O32 Si8 -","- C468 H956 Ce16 N48 O128 Si32 -","4","0.5","","Friedrich, Jochen; Riedmaier, Jonas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Stepwise azido transfer to cerous tris(<i>tert</i>-butoxy)siloxide <i>via</i> trans-silylation with Me<sub>3</sub>SiN<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12141","12144","10.1039/d5dt01051a","","","0.71073","MoKα","","0.0349","0.0227","","","0.0485","0.0546","","","","","","1.081","","","","has coordinates,has disorder","302612","2025-10-06","09:09:26",""
"7719123","5.42064","0.00031","5.50812","0.00028","29.9823","0.0018","90","","90.848","0.005","90","","895.1","0.09","300","","300","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- F7 La8 Ni6 O17 -","- F6.999 La8 Ni6 O17.001 -","- F13.998 La16 Ni12 O34.002 -","2","0.5","","Geßner, Jakob; Ebbinghaus, Stefan G.; Jacobs, Jonas","Structure, magnetism and thermal stability of the <i>n</i> = 3 Ruddlesden-Popper oxyfluoride La<sub>4</sub>Ni<sub>3</sub>O<sub>8.4</sub>F<sub>3.5</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12678","12688","10.1039/d5dt01138h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","302627","2025-10-06","09:15:24",""
"7719124","10.7219","0.0004","12.6345","0.0006","14.2538","0.001","114.428","0.005","99.672","0.004","99.647","0.004","1671.52","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H60 Cl4 N10 O32 V10 -","- C46 H54 Cl4 N10 O32 V10 -","- C46 H54 Cl4 N10 O32 V10 -","1","0.5","","Routh, Kousik; Kumar Swain, Rajesha; Kumar, Gaurav; Pradeep, Chullikkattil P.","Amine functionalized quinolinium polyoxometalates as highly active heterogeneous catalysts for solvent-free CO<sub>2</sub> cycloaddition and Knoevenagel condensation reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12324","12339","10.1039/d5dt00934k","","x-ray","0.71073","MoKα","","0.0939","0.0687","","","0.177","0.2064","","","","","","1.039","","","","has coordinates","302620","2025-10-06","09:12:27",""
"7719125","13.9068","0.0005","27.6783","0.0016","27.601","0.002","90","","100.435","0.005","90","","10448.4","1.1","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H47 Cl4 Mo12 N9 O41 Si -","- C43 H47 Cl4 Mo12 N9 O41 Si -","- C172 H188 Cl16 Mo48 N36 O164 Si4 -","4","1","","Routh, Kousik; Kumar Swain, Rajesha; Kumar, Gaurav; Pradeep, Chullikkattil P.","Amine functionalized quinolinium polyoxometalates as highly active heterogeneous catalysts for solvent-free CO<sub>2</sub> cycloaddition and Knoevenagel condensation reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12324","12339","10.1039/d5dt00934k","","x-ray","0.71073","MoKα","","0.1972","0.0958","","","0.1904","0.25","","","","","","0.956","","","","has coordinates","302620","2025-10-06","09:12:28",""
"7719126","13.7825","0.0003","27.3941","0.0006","26.8909","0.0008","90","","100.61","0.003","90","","9979.3","0.4","150.03","0.17","150.03","0.17","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 Cl4 N14 O46 Si W12 -","- C46 H54 Cl4 N10 O42 Si W12 -","- C184 H216 Cl16 N40 O168 Si4 W48 -","4","1","","Routh, Kousik; Kumar Swain, Rajesha; Kumar, Gaurav; Pradeep, Chullikkattil P.","Amine functionalized quinolinium polyoxometalates as highly active heterogeneous catalysts for solvent-free CO<sub>2</sub> cycloaddition and Knoevenagel condensation reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12324","12339","10.1039/d5dt00934k","","x-ray","0.71073","MoKα","","0.0873","0.0635","","","0.1349","0.1541","","","","","","1.0609","","","","has coordinates","302620","2025-10-06","09:12:29",""
"7719127","8.392","0.0011","5.8234","0.0007","8.2047","0.0008","90","","106.214","0.012","90","","385.02","0.08","115","2","115","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H4 O3 S -","- C H4 O3 S -","- C4 H16 O12 S4 -","4","1","","Bockmair, Valentin; Xu, Tong; Hollenwäger, Dirk; Kornath, Andreas J.","Shrinking of C-S bonds of organosulfonic acids in superacidic media-investigation of the protonation of methanesulfonic acid and benzenesulfonic acid and their limits.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12169","12179","10.1039/d5dt00864f","","","0.71073","MoKα","","0.0432","0.0346","","","0.0823","0.0877","","","","","","1.034","","","","has coordinates","302617","2025-10-06","09:10:57",""
"7719128","5.1803","0.0002","8.1972","0.0004","9.2449","0.0005","89.865","0.004","81.005","0.004","87.83","0.004","387.47","0.03","112","2","112","2","","","","","","","","6","P -1","-P 1","2","","","","- C H5 As F6 O3 S -","- C H5 As F6 O3 S -","- C2 H10 As2 F12 O6 S2 -","2","1","","Bockmair, Valentin; Xu, Tong; Hollenwäger, Dirk; Kornath, Andreas J.","Shrinking of C-S bonds of organosulfonic acids in superacidic media-investigation of the protonation of methanesulfonic acid and benzenesulfonic acid and their limits.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12169","12179","10.1039/d5dt00864f","","","0.71073","MoKα","","0.0403","0.0365","","","0.0891","0.0919","","","","","","1.033","","","","has coordinates","302617","2025-10-06","09:11:09",""
"7719129","6.3849","0.0005","7.6714","0.0005","12.4126","0.0011","100.065","0.006","103.488","0.007","93.533","0.006","578.78","0.08","112","2","112","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H7 As F8 O2 S -","- C6 H7 As F8 O2 S -","- C12 H14 As2 F16 O4 S2 -","2","1","","Bockmair, Valentin; Xu, Tong; Hollenwäger, Dirk; Kornath, Andreas J.","Shrinking of C-S bonds of organosulfonic acids in superacidic media-investigation of the protonation of methanesulfonic acid and benzenesulfonic acid and their limits.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12169","12179","10.1039/d5dt00864f","","","0.71073","MoKα","","0.1381","0.1323","","","0.3509","0.3532","","","","","","1.124","","","","has coordinates","302617","2025-10-06","09:11:09",""
"7719130","5.137","0.0003","14.3082","0.0007","16.1126","0.0011","90","","97.433","0.005","90","","1174.34","0.12","112","2","112","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C H5 F11 O3 S Sb2 -","- C H5 F11 O3 S Sb2 -","- C4 H20 F44 O12 S4 Sb8 -","4","1","","Bockmair, Valentin; Xu, Tong; Hollenwäger, Dirk; Kornath, Andreas J.","Shrinking of C-S bonds of organosulfonic acids in superacidic media-investigation of the protonation of methanesulfonic acid and benzenesulfonic acid and their limits.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12169","12179","10.1039/d5dt00864f","","","0.71073","MoKα","","0.0574","0.0403","","","0.0915","0.0976","","","","","","0.982","","","","has coordinates","302617","2025-10-06","09:11:09",""
"7719131","7.663","0.0003","10.4087","0.0004","9.4696","0.0005","90","","90.33","0.004","90","","755.3","0.06","112","2","112","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H7 F11 O3 S Sb2 -","- C6 H7 F11 O3 S Sb2 -","- C12 H14 F22 O6 S2 Sb4 -","2","1","","Bockmair, Valentin; Xu, Tong; Hollenwäger, Dirk; Kornath, Andreas J.","Shrinking of C-S bonds of organosulfonic acids in superacidic media-investigation of the protonation of methanesulfonic acid and benzenesulfonic acid and their limits.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12169","12179","10.1039/d5dt00864f","","","0.71073","MoKα","","0.0322","0.0272","","","0.0539","0.0555","","","","","","1.033","","","","has coordinates","302617","2025-10-06","09:11:09",""
"7719132","10.8775","0.001","12.7007","0.0011","12.8096","0.0011","76.187","0.003","74.324","0.003","85.025","0.003","1654.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cu F12 N2 O8 -","- C30 H22 Cu F12 N2 O8 -","- C60 H44 Cu2 F24 N4 O16 -","2","1","","Osipov, Nikita G.; Faraonov, Maxim A.; Yakushev, Ilya A.; Veber, Sergey L.; Fedin, Matvey V.; Denisov, Nikolay N.; Shestakov, Alexander F.; Otsuka, Akihiro; Kitagawa, Hiroshi; Konarev, Dmitri V.","Complex of copper(II) hexafluoroacetylacetonate with photochromic spiropyran in the merocyanine form: field-induced slow magnetic relaxation and quantum coherence for Cu<sup>II</sup> (<i>S</i> = 1/2) and photoswitching of spiropyran ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12180","12188","10.1039/d5dt01129a","","","0.71073","MoKα","","0.037","0.0317","","","0.0821","0.0848","","","","","","1.037","","","","has coordinates,has disorder","302618","2025-10-06","09:11:34",""
"7719133","10.9205","0.0005","12.8915","0.0006","12.9133","0.0006","76.051","0.002","74.24","0.002","85.016","0.002","1697.57","0.14","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cu F12 N2 O8 -","- C30 H22 Cu F12 N2 O8 -","- C60 H44 Cu2 F24 N4 O16 -","2","1","","Osipov, Nikita G.; Faraonov, Maxim A.; Yakushev, Ilya A.; Veber, Sergey L.; Fedin, Matvey V.; Denisov, Nikolay N.; Shestakov, Alexander F.; Otsuka, Akihiro; Kitagawa, Hiroshi; Konarev, Dmitri V.","Complex of copper(II) hexafluoroacetylacetonate with photochromic spiropyran in the merocyanine form: field-induced slow magnetic relaxation and quantum coherence for Cu<sup>II</sup> (<i>S</i> = 1/2) and photoswitching of spiropyran ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12180","12188","10.1039/d5dt01129a","","","0.71073","MoKα","","0.0712","0.0474","","","0.1222","0.1356","","","","","","1.021","","","","has coordinates,has disorder","302618","2025-10-06","09:11:35",""
"7719134","12.8967","0.0013","16.1383","0.0016","27.412","0.003","90","","90","","90","","5705.3","1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H70 Cl19 N10 Tb3 -","- C25 H70 Cl19 N10 Tb3 -","- C100 H280 Cl76 N40 Tb12 -","4","1","","Chen, Congcong; Luo, Zhongshiqi; Zhang, Mengke; Li, Xiaojing; Zhang, Tonghuan; Chen, Jian","Tuning the visible circularly polarized luminescence in highly emissive chiral terbium and europium chlorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12658","12666","10.1039/d5dt01465d","","x-ray","0.71073","MoKα","","0.047","0.0348","","","0.0571","0.0625","","","","","","0.943","","","","has coordinates","302622","2025-10-06","09:14:05",""
"7719135","12.926","0.003","16.253","0.004","27.572","0.008","90","","90","","90","","5792","3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H70 Cl19 Eu3 N10 -","- C25 H70 Cl19 Eu3 N10 -","- C100 H280 Cl76 Eu12 N40 -","4","1","","Chen, Congcong; Luo, Zhongshiqi; Zhang, Mengke; Li, Xiaojing; Zhang, Tonghuan; Chen, Jian","Tuning the visible circularly polarized luminescence in highly emissive chiral terbium and europium chlorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12658","12666","10.1039/d5dt01465d","","x-ray","0.71073","MoKα","","0.0501","0.0373","","","0.0742","0.0896","","","","","","1.056","","","","has coordinates","302622","2025-10-06","09:14:06",""
"7719136","12.8744","0.0008","16.1274","0.001","27.3771","0.0016","90","","90","","90","","5684.3","0.6","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H70 Cl19 N10 Tb3 -","- C25 H70 Cl19 N10 Tb3 -","- C100 H280 Cl76 N40 Tb12 -","4","1","","Chen, Congcong; Luo, Zhongshiqi; Zhang, Mengke; Li, Xiaojing; Zhang, Tonghuan; Chen, Jian","Tuning the visible circularly polarized luminescence in highly emissive chiral terbium and europium chlorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12658","12666","10.1039/d5dt01465d","","x-ray","0.71073","MoKα","","0.0483","0.0369","","","0.057","0.0618","","","","","","1.058","","","","has coordinates","302622","2025-10-06","09:14:06",""
"7719137","12.8851","0.0008","16.1619","0.001","27.4187","0.0018","90","","90","","90","","5709.9","0.6","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H70 Cl19 Eu3 N10 -","- C25 H70 Cl19 Eu3 N10 -","- C100 H280 Cl76 Eu12 N40 -","4","1","","Chen, Congcong; Luo, Zhongshiqi; Zhang, Mengke; Li, Xiaojing; Zhang, Tonghuan; Chen, Jian","Tuning the visible circularly polarized luminescence in highly emissive chiral terbium and europium chlorides.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12658","12666","10.1039/d5dt01465d","","","0.71073","MoKα","","0.0421","0.0319","","","0.0515","0.0547","","","","","","1.049","","","","has coordinates","302622","2025-10-06","09:14:06",""
"7719138","23.3656","0.0006","16.011","0.0004","12.7623","0.0003","90","","102.636","0.0009","90","","4658.8","0.2","150","2","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C105 H81 Cl2 Gd3 N8 O17 -","- C105 H81 Cl2 Gd3 N8 O17 -","- C210 H162 Cl4 Gd6 N16 O34 -","2","0.5","","Guan, Xiao-Fen; Qiao, Na; Wu, Zhi-Lei; Wang, Wen-Min; Cui, Jian-Zhong","Linear trinuclear and tetranuclear Ln(III) compounds aggregated by multidentate Schiff base ligands: insights into the magnetocaloric effect, slow magnetic relaxation behavior and catalytic CO<sub>2</sub> conversion.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12841","12848","10.1039/d5dt01252j","","","0.71073","MoKα","","0.0295","0.0274","","","0.0724","0.0742","","","","","","1.054","","","","has coordinates","302680","2025-10-06","09:45:19",""
"7719139","23.3707","0.0012","16.0273","0.001","12.6854","0.0008","90","","102.635","0.002","90","","4636.5","0.5","150","2","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C106 H79 Cl2 Dy3 N8 O17 -","- C106 H79 Cl2 Dy3 N8 O17 -","- C212 H158 Cl4 Dy6 N16 O34 -","2","0.5","","Guan, Xiao-Fen; Qiao, Na; Wu, Zhi-Lei; Wang, Wen-Min; Cui, Jian-Zhong","Linear trinuclear and tetranuclear Ln(III) compounds aggregated by multidentate Schiff base ligands: insights into the magnetocaloric effect, slow magnetic relaxation behavior and catalytic CO<sub>2</sub> conversion.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12841","12848","10.1039/d5dt01252j","","","0.71073","MoKα","","0.0638","0.0484","","","0.1172","0.132","","","","","","1.061","","","","has coordinates","302680","2025-10-06","09:45:36",""
"7719140","15.165","0.0005","14.7774","0.0005","24.9626","0.0007","90","","93.1379","0.0011","90","","5585.7","0.3","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C124 H106 Gd4 N6 O24 -","- C124 H106 Gd4 N6 O24 -","- C248 H212 Gd8 N12 O48 -","2","0.5","","Guan, Xiao-Fen; Qiao, Na; Wu, Zhi-Lei; Wang, Wen-Min; Cui, Jian-Zhong","Linear trinuclear and tetranuclear Ln(III) compounds aggregated by multidentate Schiff base ligands: insights into the magnetocaloric effect, slow magnetic relaxation behavior and catalytic CO<sub>2</sub> conversion.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12841","12848","10.1039/d5dt01252j","","","0.71073","MoKα","","0.0775","0.0647","","","0.1721","0.1917","","","","","","1.082","","","","has coordinates","302680","2025-10-06","09:45:37",""
"7719141","15.0971","0.0005","14.814","0.0005","24.8372","0.0008","90","","92.9625","0.0014","90","","5547.4","0.3","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C124 H106 Dy4 N6 O24 -","- C124 H106 Dy4 N6 O24 -","- C248 H212 Dy8 N12 O48 -","2","0.5","","Guan, Xiao-Fen; Qiao, Na; Wu, Zhi-Lei; Wang, Wen-Min; Cui, Jian-Zhong","Linear trinuclear and tetranuclear Ln(III) compounds aggregated by multidentate Schiff base ligands: insights into the magnetocaloric effect, slow magnetic relaxation behavior and catalytic CO<sub>2</sub> conversion.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12841","12848","10.1039/d5dt01252j","","","0.71073","MoKα","","0.0491","0.0363","","","0.0996","0.1112","","","","","","1.051","","","","has coordinates","302680","2025-10-06","09:45:47",""
"7719142","18.446","0.0006","15.9337","0.0004","18.7644","0.0008","90","","111.251","0.004","90","","5140.1","0.3","170.15","","170.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 Cl4 F7 Fe N3 O -","- C52 H42 Cl4 F7 Fe N3 O -","- C208 H168 Cl16 F28 Fe4 N12 O4 -","4","1","","Hosseinzadeh, Zahra; Zhang, Qiuyue; Gao, Jiahao; Wang, Yizhou; Wang, Quanchao; Ren, Geng; Liang, Tongling; Ma, Yanping; Sun, Wen-Hua","Fluoro- & trifluoromethoxy-modified bis(imino)pyridyliron chloride enhancing the activity and stability of vinyl polyethylenes.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12590","12600","10.1039/d5dt00837a","","","1.54184","CuKα","","0.1538","0.1414","","","0.3968","0.4097","","","","","","1.087","","","","has coordinates","302628","2025-10-06","09:15:47",""
"7719143","16.6357","0.0001","29.7974","0.0002","28.7041","0.0002","90","","90.52","0.001","90","","14228","0.16","169.99","0.14","170.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H56.75 Cl3.5 F14 Fe N3 O2.62 -","- C75 H49 Cl2 F14 Fe N3 O2 -","- C600 H392 Cl16 F112 Fe8 N24 O16 -","8","2","","Hosseinzadeh, Zahra; Zhang, Qiuyue; Gao, Jiahao; Wang, Yizhou; Wang, Quanchao; Ren, Geng; Liang, Tongling; Ma, Yanping; Sun, Wen-Hua","Fluoro- & trifluoromethoxy-modified bis(imino)pyridyliron chloride enhancing the activity and stability of vinyl polyethylenes.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12590","12600","10.1039/d5dt00837a","","","1.54184","CuKα","","0.065","0.0557","","","0.1519","0.1591","","","","","","1.083","","","","has coordinates,has disorder","302628","2025-10-06","09:15:48",""
"7719144","11.7886","0.0004","16.9019","0.0006","19.995","0.0009","84.918","0.003","74.143","0.003","82.521","0.003","3793.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H116 Al Mg N6 O1.5 -","- C82 H116 Al Mg N6 O1.5 -","- C164 H232 Al2 Mg2 N12 O3 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Homocoupling of C<sub>1</sub> building blocks by a heterometallic Mg-Al complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11828","11832","10.1039/d5dt01351h","","","1.54184","CuKα","","0.0882","0.0549","","","0.1287","0.1488","","","","","","1.016","","","","has coordinates,has disorder","302630","2025-10-06","09:18:21",""
"7719145","14.2932","0.0002","14.5773","0.0003","27.1832","0.0005","90","","100.577","0.0015","90","","5567.56","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C119 H158 Al2 Mg2 N8 O4 -","- C119 H158 Al2 Mg2 N8 O4 -","- C238 H316 Al4 Mg4 N16 O8 -","2","0.5","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Homocoupling of C<sub>1</sub> building blocks by a heterometallic Mg-Al complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11828","11832","10.1039/d5dt01351h","","","1.54184","CuKα","","0.0732","0.0511","","","0.1252","0.141","","","","","","1.02","","","","has coordinates,has disorder","302630","2025-10-06","09:18:22",""
"7719146","16.77596","0.00016","16.77596","0.00016","45.5458","0.0006","90","","90","","90","","12818.1","0.2","173","2","173","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C126.5 H179.5 Al2 Mg2 N8 O6.75 Si1.5 -","- C122 H166 Al2 Mg2 N8 O6 -","- C488 H664 Al8 Mg8 N32 O24 -","4","0.5","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Homocoupling of C<sub>1</sub> building blocks by a heterometallic Mg-Al complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11828","11832","10.1039/d5dt01351h","","","1.54184","CuKα","","0.0519","0.0418","","","0.1085","0.1178","","","","","","1.021","","","","has coordinates,has disorder","302630","2025-10-06","09:18:22",""
"7719147","12.3932","0.0006","23.4188","0.0015","37.5929","0.0011","91.397","0.004","95.832","0.003","102.381","0.005","10589.9","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C107.5 H166 Al2 Mg N6 O3 -","- C90 H124 Al2 Mg N6 O3 -","- C360 H496 Al8 Mg4 N24 O12 -","4","2","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Homocoupling of C<sub>1</sub> building blocks by a heterometallic Mg-Al complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11828","11832","10.1039/d5dt01351h","","","1.54184","CuKα","","0.262","0.0799","","","0.1584","0.2466","","","","","","0.864","","","","has coordinates","302630","2025-10-06","09:18:26",""
"7719148","7.7643","0.0003","17.2852","0.0008","17.397","0.0008","90","","90","","90","","2334.81","0.18","60","2","59.9","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Cl F2 Mn N4 O6 -","- C22 H26 Cl F2 Mn N4 O6 -","- C88 H104 Cl4 F8 Mn4 N16 O24 -","4","1","","Shang, Meng-Jia; Chen, Duyong; Zhou, Ren-He; Lu, Han-Han; Ma, Lin; Xiao, Jingyi; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Unveiling the Relationship between Counterion Size and Spin Crossover Dynamics in Hexadentate Schiff-Base Manganese(III) Complexes","Dalton Transactions","2025","","","","","10.1039/D5DT01347J","","","0.71073","MoKα","","0.0225","0.022","","","0.0592","0.0597","","","","","","1.066","","","","has coordinates","301357","2025-07-24","23:06:56",""
"7719149","8.0376","0.0007","17.3165","0.0015","17.9601","0.0015","90","","90","","90","","2499.7","0.4","35","2","35","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 As F8 Mn N4 O2 -","- C22 H26 As F8 Mn N4 O2 -","- C88 H104 As4 F32 Mn4 N16 O8 -","4","1","","Shang, Meng-Jia; Chen, Duyong; Zhou, Ren-He; Lu, Han-Han; Ma, Lin; Xiao, Jingyi; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Unveiling the Relationship between Counterion Size and Spin Crossover Dynamics in Hexadentate Schiff-Base Manganese(III) Complexes","Dalton Transactions","2025","","","","","10.1039/D5DT01347J","","x-ray","0.71073","MoKα","","0.0304","0.0289","","","0.0711","0.0718","","","","","","1.045","","","","has coordinates,has disorder","301357","2025-07-24","23:07:09",""
"7719150","8.1918","0.0007","17.4484","0.0016","18.0752","0.0017","90","","90","","90","","2583.6","0.4","300","2","300","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 F8 Mn N4 O2 P -","- C22 H26 F8 Mn N4 O2 P -","- C88 H104 F32 Mn4 N16 O8 P4 -","4","1","","Shang, Meng-Jia; Chen, Duyong; Zhou, Ren-He; Lu, Han-Han; Ma, Lin; Xiao, Jingyi; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Unveiling the Relationship between Counterion Size and Spin Crossover Dynamics in Hexadentate Schiff-Base Manganese(III) Complexes","Dalton Transactions","2025","","","","","10.1039/D5DT01347J","","x-ray","0.71073","MoKα","","0.0333","0.0292","","","0.0765","0.0787","","","","","","1.034","","","","has coordinates,has disorder","301357","2025-07-24","23:07:38",""
"7719151","8.202","0.002","16.36","0.005","18.422","0.005","90","","90","","90","","2472","1.2","400","2","400","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 F2 Mn N5 O5 -","- C22 H26 F2 Mn N5 O5 -","- C88 H104 F8 Mn4 N20 O20 -","4","1","","Shang, Meng-Jia; Chen, Duyong; Zhou, Ren-He; Lu, Han-Han; Ma, Lin; Xiao, Jingyi; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Unveiling the Relationship between Counterion Size and Spin Crossover Dynamics in Hexadentate Schiff-Base Manganese(III) Complexes","Dalton Transactions","2025","","","","","10.1039/D5DT01347J","","x-ray","0.71073","MoKα","","0.0583","0.0417","","","0.1106","0.1245","","","","","","1.039","","","","has coordinates,has disorder","301357","2025-07-24","23:08:09",""
"7719152","7.863","0.0004","17.3454","0.0008","18.0001","0.0009","90","","90","","90","","2455","0.2","300","2","300","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Cl F2 Mn N4 O6 -","- C22 H26 Cl F2 Mn N4 O6.004 -","- C88 H104 Cl4 F8 Mn4 N16 O24.016 -","4","1","","Shang, Meng-Jia; Chen, Duyong; Zhou, Ren-He; Lu, Han-Han; Ma, Lin; Xiao, Jingyi; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Unveiling the Relationship between Counterion Size and Spin Crossover Dynamics in Hexadentate Schiff-Base Manganese(III) Complexes","Dalton Transactions","2025","","","","","10.1039/D5DT01347J","","x-ray","0.71073","MoKα","","0.0346","0.0282","","","0.0696","0.072","","","","","","1.059","","","","has coordinates,has disorder","301357","2025-07-24","23:08:43",""
"7719153","7.991","0.0016","17.253","0.004","17.777","0.004","90","","90","","90","","2450.9","0.9","35","2","35","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 F8 Mn N4 O2 P -","- C22 H26 F8 Mn N4 O2 P -","- C88 H104 F32 Mn4 N16 O8 P4 -","4","1","","Shang, Meng-Jia; Chen, Duyong; Zhou, Ren-He; Lu, Han-Han; Ma, Lin; Xiao, Jingyi; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Unveiling the Relationship between Counterion Size and Spin Crossover Dynamics in Hexadentate Schiff-Base Manganese(III) Complexes","Dalton Transactions","2025","","","","","10.1039/D5DT01347J","","x-ray","0.71073","MoKα","","0.035","0.0334","","","0.0842","0.0853","","","","","","1.024","","","","has coordinates,has disorder","301357","2025-07-24","23:08:46",""
"7719154","7.3125","0.0003","18.6666","0.0009","17.5563","0.0008","90","","99.136","0.002","90","","2366.03","0.19","60","2","60","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 F2 Mn N4 O6 Re -","- C22 H26 F2 Mn N4 O6 Re -","- C88 H104 F8 Mn4 N16 O24 Re4 -","4","1","","Shang, Meng-Jia; Chen, Duyong; Zhou, Ren-He; Lu, Han-Han; Ma, Lin; Xiao, Jingyi; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Unveiling the Relationship between Counterion Size and Spin Crossover Dynamics in Hexadentate Schiff-Base Manganese(III) Complexes","Dalton Transactions","2025","","","","","10.1039/D5DT01347J","","","0.71073","MoKα","","0.044","0.0413","","","0.11","0.1121","","","","","","1.064","","","","has coordinates","301357","2025-07-24","23:09:07",""
"7719155","8.303","0.0006","17.4883","0.0012","18.1154","0.0011","90","","90","","90","","2630.5","0.3","300","2","300","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 As F8 Mn N4 O2 -","- C22 H26 As F8 Mn N4 O2 -","- C88 H104 As4 F32 Mn4 N16 O8 -","4","1","","Shang, Meng-Jia; Chen, Duyong; Zhou, Ren-He; Lu, Han-Han; Ma, Lin; Xiao, Jingyi; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Unveiling the Relationship between Counterion Size and Spin Crossover Dynamics in Hexadentate Schiff-Base Manganese(III) Complexes","Dalton Transactions","2025","","","","","10.1039/D5DT01347J","","x-ray","0.71073","MoKα","","0.0311","0.0272","","","0.0706","0.0725","","","","","","1.037","","","","has coordinates,has disorder","301357","2025-07-24","23:09:31",""
"7719156","7.5155","0.0005","18.6976","0.0013","17.7401","0.0013","90","","98.462","0.003","90","","2465.7","0.3","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 F2 Mn N4 O6 Re -","- C22 H26 F2 Mn N4 O6 Re -","- C88 H104 F8 Mn4 N16 O24 Re4 -","4","1","","Shang, Meng-Jia; Chen, Duyong; Zhou, Ren-He; Lu, Han-Han; Ma, Lin; Xiao, Jingyi; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Unveiling the Relationship between Counterion Size and Spin Crossover Dynamics in Hexadentate Schiff-Base Manganese(III) Complexes","Dalton Transactions","2025","","","","","10.1039/D5DT01347J","","x-ray","0.71073","MoKα","","0.026","0.0241","","","0.0568","0.0575","","","","","","1.109","","","","has coordinates,has disorder","301357","2025-07-24","23:10:09",""
"7719157","7.7694","0.0009","17.288","0.002","17.434","0.002","90","","90","","90","","2341.7","0.5","85","2","85.1","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Cl F2 Mn N4 O6 -","- C22 H26 Cl F2 Mn N4 O6 -","- C88 H104 Cl4 F8 Mn4 N16 O24 -","4","1","","Shang, Meng-Jia; Chen, Duyong; Zhou, Ren-He; Lu, Han-Han; Ma, Lin; Xiao, Jingyi; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Unveiling the Relationship between Counterion Size and Spin Crossover Dynamics in Hexadentate Schiff-Base Manganese(III) Complexes","Dalton Transactions","2025","","","","","10.1039/D5DT01347J","","","0.71073","MoKα","","0.0879","0.0809","","","0.1997","0.2034","","","","","","1.222","","","","has coordinates","301357","2025-07-24","23:10:37",""
"7719158","15.865","0.004","8.0509","0.0018","18.202","0.005","90","","90","","90","","2324.9","1","120","2","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 F2 Mn N5 O5 -","- C22 H26 F2 Mn N5 O5 -","- C88 H104 F8 Mn4 N20 O20 -","4","1","","Shang, Meng-Jia; Chen, Duyong; Zhou, Ren-He; Lu, Han-Han; Ma, Lin; Xiao, Jingyi; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Unveiling the Relationship between Counterion Size and Spin Crossover Dynamics in Hexadentate Schiff-Base Manganese(III) Complexes","Dalton Transactions","2025","","","","","10.1039/D5DT01347J","","","0.71073","MoKα","","0.0621","0.0433","","","0.0877","0.0969","","","","","","1.042","","","","has coordinates","301357","2025-07-24","23:10:57",""
"7719159","7.678","0.0008","17.2702","0.0016","17.8199","0.0017","90","","90","","90","","2362.9","0.4","85","2","85","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Cl F2 Mn N4 O6 -","- C22 H26 Cl F2 Mn N4 O6 -","- C88 H104 Cl4 F8 Mn4 N16 O24 -","4","1","","Shang, Meng-Jia; Chen, Duyong; Zhou, Ren-He; Lu, Han-Han; Ma, Lin; Xiao, Jingyi; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Unveiling the Relationship between Counterion Size and Spin Crossover Dynamics in Hexadentate Schiff-Base Manganese(III) Complexes","Dalton Transactions","2025","","","","","10.1039/D5DT01347J","","","0.71073","MoKα","","0.0814","0.0794","","","0.209","0.2102","","","","","","1.133","","","","has coordinates","301357","2025-07-24","23:11:21",""
"7719160","8.0868","0.0007","16.1944","0.0015","18.3469","0.0015","90","","90","","90","","2402.7","0.4","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 F2 Mn N5 O5 -","- C22 H26 F2 Mn N5 O5 -","- C88 H104 F8 Mn4 N20 O20 -","4","1","","Shang, Meng-Jia; Chen, Duyong; Zhou, Ren-He; Lu, Han-Han; Ma, Lin; Xiao, Jingyi; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Unveiling the Relationship between Counterion Size and Spin Crossover Dynamics in Hexadentate Schiff-Base Manganese(III) Complexes","Dalton Transactions","2025","","","","","10.1039/D5DT01347J","","x-ray","0.71073","MoKα","","0.0388","0.0309","","","0.0731","0.0777","","","","","","1.044","","","","has coordinates,has disorder","301357","2025-07-24","23:11:27",""
"7719161","7.5915","0.0008","18.709","0.002","17.805","0.002","90","","98.423","0.005","90","","2501.6","0.5","400","2","400","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 F2 Mn N4 O6 Re -","- C22 H26 F2 Mn N4 O6 Re -","- C88 H104 F8 Mn4 N16 O24 Re4 -","4","1","","Shang, Meng-Jia; Chen, Duyong; Zhou, Ren-He; Lu, Han-Han; Ma, Lin; Xiao, Jingyi; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Unveiling the Relationship between Counterion Size and Spin Crossover Dynamics in Hexadentate Schiff-Base Manganese(III) Complexes","Dalton Transactions","2025","","","","","10.1039/D5DT01347J","","x-ray","0.71073","MoKα","","0.0196","0.0173","","","0.0421","0.0432","","","","","","1.0632","","","","has coordinates","301357","2025-07-24","23:11:38",""
"7719162","46.1506","0.0008","9.4837","0.0002","27.7962","0.0005","90","","118.723","0.001","90","","10668.8","0.4","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H83 N P2 -","- C57 H83 N P2 -","- C456 H664 N8 P16 -","8","1","","Kushik, ?; Rippke, Mirko; Drexler, Hans-Joachim; Dankert, Fabian; Hering-Junghans, Christian; Beweries, Torsten","Coordination and C-H activation of an amidobis(phosphaalkene) ligand at rhodium(I).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12913","12918","10.1039/d5dt01734c","","","1.54178","CuKα","","0.0628","0.0494","","","0.1265","0.1384","","","","","","1.024","","","","has coordinates","302673","2025-10-06","09:41:34",""
"7719163","29.3092","0.0007","26.2531","0.0007","20.7568","0.0005","90","","134.885","0.001","90","","11316.2","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H86 N O3 P2 Rh -","- C53 H70 N O P2 Rh -","- C424 H560 N8 O8 P16 Rh8 -","8","1","","Kushik, ?; Rippke, Mirko; Drexler, Hans-Joachim; Dankert, Fabian; Hering-Junghans, Christian; Beweries, Torsten","Coordination and C-H activation of an amidobis(phosphaalkene) ligand at rhodium(I).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12913","12918","10.1039/d5dt01734c","","","0.71073","MoKα","","0.0556","0.0396","","","0.1063","0.1122","","","","","","1.061","","","","has coordinates,has disorder","302673","2025-10-06","09:41:37",""
"7719164","10.4797","0.0007","13.6732","0.0009","21.5306","0.0014","91.115","0.002","90.096","0.002","99.858","0.002","3039","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H90 Cl N O P2 Rh2 -","- C64 H90 Cl N O P2 Rh2 -","- C128 H180 Cl2 N2 O2 P4 Rh4 -","2","1","","Kushik, ?; Rippke, Mirko; Drexler, Hans-Joachim; Dankert, Fabian; Hering-Junghans, Christian; Beweries, Torsten","Coordination and C-H activation of an amidobis(phosphaalkene) ligand at rhodium(I).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12913","12918","10.1039/d5dt01734c","","","0.71073","MoKα","","0.0928","0.0693","","","0.1656","0.1839","","","","","","1.039","","","","has coordinates,has disorder","302673","2025-10-06","09:41:37",""
"7719165","11.9255","0.0012","15.636","0.0017","16.4992","0.0017","90.019","0.004","100.92","0.004","96.787","0.004","2998.9","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H94 Cl N P2 Rh2 -","- C65 H94 Cl N P2 Rh2 -","- C130 H188 Cl2 N2 P4 Rh4 -","2","1","","Kushik, ?; Rippke, Mirko; Drexler, Hans-Joachim; Dankert, Fabian; Hering-Junghans, Christian; Beweries, Torsten","Coordination and C-H activation of an amidobis(phosphaalkene) ligand at rhodium(I).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12913","12918","10.1039/d5dt01734c","","","1.54178","CuKα","","0.0355","0.0286","","","0.0694","0.0729","","","","","","1.032","","","","has coordinates","302673","2025-10-06","09:41:37",""
"7719166","11.3966","0.0005","14.3992","0.0007","31.8973","0.0016","90","","90","","90","","5234.4","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H80 N Na O P2 -","- C56 H80 N Na O P2 -","- C224 H320 N4 Na4 O4 P8 -","4","1","","Kushik, ?; Rippke, Mirko; Drexler, Hans-Joachim; Dankert, Fabian; Hering-Junghans, Christian; Beweries, Torsten","Coordination and C-H activation of an amidobis(phosphaalkene) ligand at rhodium(I).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12913","12918","10.1039/d5dt01734c","","","1.54178","CuKα","","0.0624","0.0463","","","0.1123","0.1225","","","","","","1.011","","","","has coordinates,has disorder","302673","2025-10-06","09:41:37",""
"7719167","10.7081","0.0004","16.8302","0.0006","20.7021","0.0007","94.506","0.002","104.144","0.002","101.521","0.002","3512.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H87 N P2 -","- C76 H87 N P2 -","- C152 H174 N2 P4 -","2","1","","Kushik, ?; Rippke, Mirko; Drexler, Hans-Joachim; Dankert, Fabian; Hering-Junghans, Christian; Beweries, Torsten","Coordination and C-H activation of an amidobis(phosphaalkene) ligand at rhodium(I).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12913","12918","10.1039/d5dt01734c","","","1.54178","CuKα","","0.0522","0.0478","","","0.1332","0.1382","","","","","","1.044","","","","has coordinates,has disorder","302673","2025-10-06","09:41:37",""
"7719168","10.9897","0.0003","11.601","0.0004","22.6406","0.0007","79.551","0.003","76.308","0.003","75.548","0.003","2692.68","0.15","102.94","0.19","102.94","0.19","","","","","","","","7","P -1","-P 1","2","","","","- C49 H50 Co2 F18 N9 O3 P3 -","- C49 H50 Co2 F18 N9 O3 P3 -","- C98 H100 Co4 F36 N18 O6 P6 -","2","1","","Tanaka, Yuki; Iwanaga, Osamu; Fujikawa, Kyosuke; Shinomiya, Seina; Kitagishi, Hiroaki; Yanagisawa, Sachiko; Kubo, Minoru; Kambe, Tetsuya; Masaoka, Shigenobu; Kodera, Masahito","Structural control of μ-hydroxo-μ-peroxodicobalt(III) complex with the 6-hpa dinucleating ligand to enhance O<sub>2</sub>-evolution activity in catalytic water oxidation.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12130","12134","10.1039/d5dt01140j","","x-ray","0.71073","MoKα","","0.1105","0.0812","","","0.2326","0.2552","","","","","","1.057","","","","has coordinates","302616","2025-10-06","09:10:35",""
"7719169","7.9462","0.0003","13.5087","0.0005","17.6229","0.0006","90","","99.982","0.004","90","","1863.06","0.12","294.6","0.3","294.6","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","di(acetylacetonato)(3-cyanopyridine)dioxidouranium(VI)","","- C16 H18 N2 O6 U -","- C16 H18 N2 O6 U -","- C64 H72 N8 O24 U4 -","4","1","","Clark, Colin B.; Burnett, Nora L.; Ruhren, Alexander N.; Talbott, Eric D.; Eyubova, Erda; Besson, Claire; Panetier, Julien A.; Swierk, John R.","Analyzing the photophysics and photochemistry of [UO<sub>2</sub>(acetylacetonate)<sub>2</sub>(L)] complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12667","12677","10.1039/d5dt00668f","","x-ray","0.71073","MoKα","","0.0713","0.0354","","","0.0607","0.0685","","","","","","0.993","","","","has coordinates","302623","2025-10-06","09:14:31",""
"7719170","9.2154","0.0001","13.6239","0.0001","12.2615","0.0001","90","","107.983","0.001","90","","1464.22","0.02","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 Se2 Sn -","- C10 H12 N4 Se2 Sn -","- C40 H48 N16 Se8 Sn4 -","4","1","","Kushwah, Nisha; Nechiyil, Divya; Prakash, Jyoti; Chopade, Suresh M.; Pathak, Sushil Swaroop; Wadawale, Amey; Kumar, Sanjay; Kedarnath, Gotluru","Template-driven synthesis of tin selenide nanosheets and their composites for supercapacitor applications.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12849","12858","10.1039/d5dt01255d","","x-ray","1.54184","CuKα","","0.0297","0.0288","","","0.0763","0.0772","","","","","","1.09","","","","has coordinates","302675","2025-10-06","09:42:15",""
"7719171","20.3368","0.0004","16.4165","0.0003","12.2136","0.0002","90","","104.341","0.002","90","","3950.56","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H50 B3 P3 Si -","- C39 H50 B3 P3 Si -","- C156 H200 B12 P12 Si4 -","4","1","","Michaelis, Niels; Engesser, Tobias A.; Krahmer, Jan; Strunskus, Thomas; Näther, Christian; Le Poul, Nicolas; Tuczek, Felix","Clicking [Mo(CO)<sub>3</sub>(triphos)] to an azide-terminated alkylthiol SAM: structural, spectroscopic and electrochemical investigations.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14286","14303","10.1039/d5dt01217a","","x-ray","1.54184","CuKα","","0.0409","0.0373","","","0.0997","0.1017","","","","","","1.102","","","","has coordinates","302692","2025-10-06","09:50:45",""
"7719172","10.20427","0.00007","14.90425","0.00011","27.0275","0.00019","75.4307","0.0006","84.8563","0.0006","79.6243","0.0006","3909.05","0.05","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H41 Mo O3 P3 Si -","- C42 H41 Mo O3 P3 Si -","- C168 H164 Mo4 O12 P12 Si4 -","4","2","","Michaelis, Niels; Engesser, Tobias A.; Krahmer, Jan; Strunskus, Thomas; Näther, Christian; Le Poul, Nicolas; Tuczek, Felix","Clicking [Mo(CO)<sub>3</sub>(triphos)] to an azide-terminated alkylthiol SAM: structural, spectroscopic and electrochemical investigations.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14286","14303","10.1039/d5dt01217a","","x-ray","1.54184","CuKα","","0.028","0.0276","","","0.0751","0.0754","","","","","","1.102","","","","has coordinates","302692","2025-10-06","09:50:46",""
"7719173","8.998","0.00007","17.169","0.0002","24.1397","0.0003","76.706","0.001","88.7958","0.0008","80.6135","0.0008","3580.21","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C39 H33 Mo O3 P3 -","- C39 H33 Mo O3 P3 -","- C156 H132 Mo4 O12 P12 -","4","2","","Michaelis, Niels; Engesser, Tobias A.; Krahmer, Jan; Strunskus, Thomas; Näther, Christian; Le Poul, Nicolas; Tuczek, Felix","Clicking [Mo(CO)<sub>3</sub>(triphos)] to an azide-terminated alkylthiol SAM: structural, spectroscopic and electrochemical investigations.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14286","14303","10.1039/d5dt01217a","","x-ray","1.54184","CuKα","","0.0394","0.0378","","","0.1025","0.1035","","","","","","1.068","","","","has coordinates","302692","2025-10-06","09:50:46",""
"7719174","8.77993","0.00009","9.12402","0.00011","18.0299","0.0002","81.6256","0.001","80.8187","0.0009","73.6818","0.0009","1360.63","0.03","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H30 F6 N3 O3 P Ru -","- C25 H30 F6 N3 O3 P Ru -","- C50 H60 F12 N6 O6 P2 Ru2 -","2","1","","Beaufils, Alicia; Elia, Nicole; Reuge, Sabela; Albrecht, Martin","Ligand modification for the tuning of activity and selectivity in the chemoselective transfer hydrogenation of α,β-unsaturated carbonyls using EtOH as a hydrogen source.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13155","13165","10.1039/d5dt01348h","","x-ray","1.54184","CuKα","","0.0257","0.0254","","","0.0609","0.0611","","","","","","1.108","","","","has coordinates,has disorder","302671","2025-10-06","09:40:26",""
"7719175","14.9082","0.0013","7.3235","0.0008","12.9223","0.0011","90","","112.973","0.005","90","","1299","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Ag2 Cl4 N10 O18 -","- C10 H16 Ag2 Cl4 N10 O18 -","- C20 H32 Ag4 Cl8 N20 O36 -","2","0.5","","Tariq, Qamar-Un-Nisa; Tariq, Maher-Un-Nisa; Manzoor, Saira; Yu, Qiyao; Zhang, Jian-Guo","Development of super-heat-resistant purine-based coordination polymers for applications in energetic materials.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12454","12462","10.1039/d5dt01509j","","","0.71073","MoKα","","0.0491","0.0418","","","0.1081","0.1117","","","","","","1.075","","","","has coordinates","302625","2025-10-06","09:14:56",""
"7719176","6.1409","0.0005","7.4061","0.0007","12.8931","0.0011","86.286","0.003","89.118","0.003","66.436","0.002","536.32","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 Ag2 N16 O12 -","- C10 H14 Ag2 N16 O12 -","- C10 H14 Ag2 N16 O12 -","1","0.5","","Tariq, Qamar-Un-Nisa; Tariq, Maher-Un-Nisa; Manzoor, Saira; Yu, Qiyao; Zhang, Jian-Guo","Development of super-heat-resistant purine-based coordination polymers for applications in energetic materials.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12454","12462","10.1039/d5dt01509j","","","0.71073","MoKα","","0.0651","0.0583","","","0.1633","0.1683","","","","","","1.088","","","","has coordinates,has disorder","302625","2025-10-06","09:14:57",""
"7719177","9.8073","0.0007","13.8482","0.0009","4.7261","0.0003","90","","90","","90","","641.87","0.07","200","2","200","2","","","","","","","","2","C m m m","-C 2 2","65","","","","- Li6.5 Sn2 -","- Li6.5 Sn2 -","- Li26 Sn8 -","4","0.25","","Rahman, Salina; Ghosh, Kowsik; Ovchinnikov, Alexander; Nandakumar, Anirudh; Chan, Candace K.; Bobev, Svilen","On the structure of heptalithium distannide: Li<sub>7</sub>Sn<sub>2</sub> or Li<sub>7-<i>x</i></sub>Sn<sub>2</sub> (0.3 < <i>x</i> < 0.5).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12859","12867","10.1039/d5dt01022e","","","0.71073","MoKα","","0.0323","0.0236","","","0.0447","0.048","","","","","","1.15","","","","has coordinates","302676","2025-10-06","09:42:44",""
"7719178","8.5351","0.0009","4.7303","0.0005","9.4305","0.001","90","","106.068","0.002","90","","365.87","0.07","200","2","200","2","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Li7 Sn3 -","- Li7 Sn3 -","- Li14 Sn6 -","2","0.5","","Rahman, Salina; Ghosh, Kowsik; Ovchinnikov, Alexander; Nandakumar, Anirudh; Chan, Candace K.; Bobev, Svilen","On the structure of heptalithium distannide: Li<sub>7</sub>Sn<sub>2</sub> or Li<sub>7-<i>x</i></sub>Sn<sub>2</sub> (0.3 < <i>x</i> < 0.5).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12859","12867","10.1039/d5dt01022e","","","0.71073","MoKα","","0.0516","0.0314","","","0.0503","0.0554","","","","","","0.99","","","","has coordinates","302676","2025-10-06","09:42:46",""
"7719179","19.7179","0.0012","19.7179","0.0012","19.7179","0.0012","90","","90","","90","","7666.2","0.8","200","2","200","2","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Li17 Sn4 -","- Li17 Sn4 -","- Li340 Sn80 -","20","0.208333","","Rahman, Salina; Ghosh, Kowsik; Ovchinnikov, Alexander; Nandakumar, Anirudh; Chan, Candace K.; Bobev, Svilen","On the structure of heptalithium distannide: Li<sub>7</sub>Sn<sub>2</sub> or Li<sub>7-<i>x</i></sub>Sn<sub>2</sub> (0.3 < <i>x</i> < 0.5).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12859","12867","10.1039/d5dt01022e","","","0.71073","MoKα","","0.0479","0.0363","","","0.0585","0.0621","","","","","","1.021","","","","has coordinates","302676","2025-10-06","09:42:46",""
"7719180","9.228","0.0006","13.1437","0.0009","4.4907","0.0003","90","","90","","90","","544.68","0.06","200","2","200","2","","","","","","","","2","C m m m","-C 2 2","65","","","","- Ge2 Li6.5 -","- Ge2 Li6.5 -","- Ge8 Li26 -","4","0.25","","Rahman, Salina; Ghosh, Kowsik; Ovchinnikov, Alexander; Nandakumar, Anirudh; Chan, Candace K.; Bobev, Svilen","On the structure of heptalithium distannide: Li<sub>7</sub>Sn<sub>2</sub> or Li<sub>7-<i>x</i></sub>Sn<sub>2</sub> (0.3 < <i>x</i> < 0.5).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12859","12867","10.1039/d5dt01022e","","","0.71073","MoKα","","0.0384","0.0289","","","0.0529","0.0564","","","","","","1.11","","","","has coordinates","302676","2025-10-06","09:42:46",""
"7719181","9.23","0.003","13.156","0.005","4.4928","0.0018","90","","90","","90","","545.6","0.3","200","2","200","2","","","","","","","","2","C m m m","-C 2 2","65","","","","- Ge2 Li6.5 -","- Ge2 Li6.5 -","- Ge8 Li26 -","4","0.25","","Rahman, Salina; Ghosh, Kowsik; Ovchinnikov, Alexander; Nandakumar, Anirudh; Chan, Candace K.; Bobev, Svilen","On the structure of heptalithium distannide: Li<sub>7</sub>Sn<sub>2</sub> or Li<sub>7-<i>x</i></sub>Sn<sub>2</sub> (0.3 < <i>x</i> < 0.5).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12859","12867","10.1039/d5dt01022e","","","0.71073","MoKα","","0.0665","0.0423","","","0.0809","0.087","","","","","","1.071","","","","has coordinates","302676","2025-10-06","09:42:46",""
"7719182","9.2244","0.0006","13.1422","0.0009","4.4897","0.0003","90","","90","","90","","544.28","0.06","200","2","200","2","","","","","","","","2","C m m m","-C 2 2","65","","","","- Ge2 Li6.5 -","- Ge2 Li6.5 -","- Ge8 Li26 -","4","0.25","","Rahman, Salina; Ghosh, Kowsik; Ovchinnikov, Alexander; Nandakumar, Anirudh; Chan, Candace K.; Bobev, Svilen","On the structure of heptalithium distannide: Li<sub>7</sub>Sn<sub>2</sub> or Li<sub>7-<i>x</i></sub>Sn<sub>2</sub> (0.3 < <i>x</i> < 0.5).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12859","12867","10.1039/d5dt01022e","","","0.71073","MoKα","","0.0319","0.0254","","","0.0502","0.0529","","","","","","1.096","","","","has coordinates","302676","2025-10-06","09:42:46",""
"7719183","9.8005","0.0007","13.8486","0.001","4.728","0.0003","90","","90","","90","","641.7","0.08","200","2","200","2","","","","","","","","2","C m m m","-C 2 2","65","","","","- Li6.5 Sn2 -","- Li6.5 Sn2 -","- Li26 Sn8 -","4","0.25","","Rahman, Salina; Ghosh, Kowsik; Ovchinnikov, Alexander; Nandakumar, Anirudh; Chan, Candace K.; Bobev, Svilen","On the structure of heptalithium distannide: Li<sub>7</sub>Sn<sub>2</sub> or Li<sub>7-<i>x</i></sub>Sn<sub>2</sub> (0.3 < <i>x</i> < 0.5).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12859","12867","10.1039/d5dt01022e","","","0.71073","MoKα","","0.0301","0.0233","","","0.0412","0.043","","","","","","1.092","","","","has coordinates","302676","2025-10-06","09:42:46",""
"7719184","9.8105","0.001","13.8521","0.0014","4.7272","0.0005","90","","90","","90","","642.41","0.11","200","2","200","2","","","","","","","","2","C m m m","-C 2 2","65","","","","- Li6.5 Sn2 -","- Li6.5 Sn2 -","- Li26 Sn8 -","4","0.25","","Rahman, Salina; Ghosh, Kowsik; Ovchinnikov, Alexander; Nandakumar, Anirudh; Chan, Candace K.; Bobev, Svilen","On the structure of heptalithium distannide: Li<sub>7</sub>Sn<sub>2</sub> or Li<sub>7-<i>x</i></sub>Sn<sub>2</sub> (0.3 < <i>x</i> < 0.5).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12859","12867","10.1039/d5dt01022e","","","0.71073","MoKα","","0.0351","0.0257","","","0.0564","0.0591","","","","","","1.064","","","","has coordinates","302676","2025-10-06","09:42:46",""
"7719185","9.8176","0.0013","13.8262","0.0019","4.7187","0.0006","90","","90","","90","","640.52","0.15","200","2","200","2","","","","","","","","2","C m m m","-C 2 2","65","","","","- Li6.5 Sn2 -","- Li6.5 Sn2 -","- Li26 Sn8 -","4","0.25","","Rahman, Salina; Ghosh, Kowsik; Ovchinnikov, Alexander; Nandakumar, Anirudh; Chan, Candace K.; Bobev, Svilen","On the structure of heptalithium distannide: Li<sub>7</sub>Sn<sub>2</sub> or Li<sub>7-<i>x</i></sub>Sn<sub>2</sub> (0.3 < <i>x</i> < 0.5).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12859","12867","10.1039/d5dt01022e","","","0.71073","MoKα","","0.0585","0.0359","","","0.058","0.0627","","","","","","1.056","","","","has coordinates","302676","2025-10-06","09:42:46",""
"7719186","9.7882","0.0013","13.8416","0.0019","4.7333","0.0006","90","","90","","90","","641.29","0.15","200","2","200","2","","","","","","","","2","C m m m","-C 2 2","65","","","","- Li6.68 Sn2 -","- Li6.665 Sn2 -","- Li26.66 Sn8 -","4","0.25","","Rahman, Salina; Ghosh, Kowsik; Ovchinnikov, Alexander; Nandakumar, Anirudh; Chan, Candace K.; Bobev, Svilen","On the structure of heptalithium distannide: Li<sub>7</sub>Sn<sub>2</sub> or Li<sub>7-<i>x</i></sub>Sn<sub>2</sub> (0.3 < <i>x</i> < 0.5).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12859","12867","10.1039/d5dt01022e","","","0.71073","MoKα","","0.0275","0.022","","","0.0395","0.0408","","","","","","1.083","","","","has coordinates","302676","2025-10-06","09:42:46",""
"7719187","4.6981","0.0003","4.6981","0.0003","17.0984","0.0015","90","","90","","120","","326.84","0.04","200","2","200","2","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Li13 Sn5 -","- Li13 Sn5 -","- Li13 Sn5 -","1","0.0833333","","Rahman, Salina; Ghosh, Kowsik; Ovchinnikov, Alexander; Nandakumar, Anirudh; Chan, Candace K.; Bobev, Svilen","On the structure of heptalithium distannide: Li<sub>7</sub>Sn<sub>2</sub> or Li<sub>7-<i>x</i></sub>Sn<sub>2</sub> (0.3 < <i>x</i> < 0.5).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12859","12867","10.1039/d5dt01022e","","","0.71073","MoKα","","0.0269","0.0213","","","0.035","0.036","","","","","","1.06","","","","has coordinates","302676","2025-10-06","09:42:46",""
"7719188","4.6985","0.0006","4.6985","0.0006","17.091","0.003","90","","90","","120","","326.75","0.08","200","2","200","2","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Li13 Sn5 -","- Li13 Sn5 -","- Li13 Sn5 -","1","0.0833333","","Rahman, Salina; Ghosh, Kowsik; Ovchinnikov, Alexander; Nandakumar, Anirudh; Chan, Candace K.; Bobev, Svilen","On the structure of heptalithium distannide: Li<sub>7</sub>Sn<sub>2</sub> or Li<sub>7-<i>x</i></sub>Sn<sub>2</sub> (0.3 < <i>x</i> < 0.5).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12859","12867","10.1039/d5dt01022e","","","0.71073","MoKα","","0.0488","0.029","","","0.0416","0.0457","","","","","","1.108","","","","has coordinates","302676","2025-10-06","09:42:46",""
"7719189","8.5436","0.001","4.7346","0.0005","9.4399","0.0011","90","","106.057","0.002","90","","366.95","0.07","200","2","200","2","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Li7 Sn3 -","- Li7 Sn3 -","- Li14 Sn6 -","2","0.5","","Rahman, Salina; Ghosh, Kowsik; Ovchinnikov, Alexander; Nandakumar, Anirudh; Chan, Candace K.; Bobev, Svilen","On the structure of heptalithium distannide: Li<sub>7</sub>Sn<sub>2</sub> or Li<sub>7-<i>x</i></sub>Sn<sub>2</sub> (0.3 < <i>x</i> < 0.5).","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12859","12867","10.1039/d5dt01022e","","","0.71073","MoKα","","0.0482","0.0292","","","0.045","0.0492","","","","","","1.03","","","","has coordinates","302676","2025-10-06","09:42:46",""
"7719190","20.018","0.011","14.807","0.009","22.779","0.009","90","","121.61","0.03","90","","5750","6","100","2","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H32 F4 Ir N7 O4 -","- C58 H32 F4 Ir N7 O4 -","- C232 H128 F16 Ir4 N28 O16 -","4","1","","Liu, Jia-Wei; Wang, Xue-Cheng; Wen, Li-Jing; Chen, Hao-Yu; Ren, Jin-Xia; Li, Jie; Liu, Chang; Li, Yong-Hua; Chen, Bo; Wang, Shi; Zhang, Kenneth Yin","Strategic fluorine atom positioning in carbazolyl oxadiazole derivatives: constructing asymmetric Ir(III) complexes for enhanced electroluminescence performance.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13184","13191","10.1039/d5dt01237f","","","0.71073","MoKα","","0.1238","0.0668","","","0.165","0.192","","","","","","1.05","","","","has coordinates,has disorder","302668","2025-10-06","09:38:59",""
"7719191","13.554","0.004","14.306","0.005","19.189","0.006","99.797","0.007","95.993","0.007","117.288","0.005","3187","1.8","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H50 F2 Ir N7 O4 -","- C58 H50 F2 Ir N7 O4 -","- C116 H100 F4 Ir2 N14 O8 -","2","1","","Liu, Jia-Wei; Wang, Xue-Cheng; Wen, Li-Jing; Chen, Hao-Yu; Ren, Jin-Xia; Li, Jie; Liu, Chang; Li, Yong-Hua; Chen, Bo; Wang, Shi; Zhang, Kenneth Yin","Strategic fluorine atom positioning in carbazolyl oxadiazole derivatives: constructing asymmetric Ir(III) complexes for enhanced electroluminescence performance.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13184","13191","10.1039/d5dt01237f","","","0.71073","MoKα","","0.1028","0.0663","","","0.1746","0.1957","","","","","","1.07","","","","has coordinates","302668","2025-10-06","09:39:00",""
"7719192","12.285","0.002","13.996","0.002","16.348","0.003","83.091","0.004","76.754","0.004","66.757","0.003","2512.6","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","1","","- C H F Ir N O -","- C4.64 H3.92 F0.16 Ir0.08 N0.56 O0.32 -","- C116 H98 F4 Ir2 N14 O8 -","25","12.5","","Liu, Jia-Wei; Wang, Xue-Cheng; Wen, Li-Jing; Chen, Hao-Yu; Ren, Jin-Xia; Li, Jie; Liu, Chang; Li, Yong-Hua; Chen, Bo; Wang, Shi; Zhang, Kenneth Yin","Strategic fluorine atom positioning in carbazolyl oxadiazole derivatives: constructing asymmetric Ir(III) complexes for enhanced electroluminescence performance.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13184","13191","10.1039/d5dt01237f","","","0.71073","MoKα","","0.1493","0.0947","","","0.1907","0.2203","","","","","","1.079","","","","has coordinates","302668","2025-10-06","09:39:00",""
"7719193","17.1688","0.0009","11.1127","0.0005","21.8455","0.001","90","","105.064","0.002","90","","4024.7","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H54 Cl Cu N4 O4 -","- C39 H54 Cl Cu N4 O4 -","- C156 H216 Cl4 Cu4 N16 O16 -","4","1","","Rakshit, Soumen; Mitra, Jyotirmoy; Saha, Rajat; Maji, Ram Chandra","Ligand-driven redox transformations and catalytic activities of mononuclear copper complexes: structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13215","13227","10.1039/d5dt01511a","","","0.71073","MoKα","","0.0974","0.0599","","","0.1495","0.1709","","","","","","1.021","","","","has coordinates,has disorder","302669","2025-10-06","09:39:24",""
"7719194","13.703","0.003","14.516","0.003","17.106","0.003","104.409","0.006","102.549","0.006","100.614","0.007","3113","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H65 Cl2 Cu N7 O12 -","- C66 H65 Cl2 Cu N7 O12 -","- C132 H130 Cl4 Cu2 N14 O24 -","2","1","","Rakshit, Soumen; Mitra, Jyotirmoy; Saha, Rajat; Maji, Ram Chandra","Ligand-driven redox transformations and catalytic activities of mononuclear copper complexes: structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13215","13227","10.1039/d5dt01511a","","","0.71073","MoKα","","0.1273","0.0883","","","0.2452","0.2945","","","","","","1.032","","","","has coordinates","302669","2025-10-06","09:39:25",""
"7719195","11.74","0.003","13.786","0.004","16.024","0.005","73.061","0.009","81.023","0.009","72.684","0.009","2361.7","1.2","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 Cl2 Cu N6 O11 -","- C46 H50 Cl2 Cu N6 O11 -","- C92 H100 Cl4 Cu2 N12 O22 -","2","1","","Rakshit, Soumen; Mitra, Jyotirmoy; Saha, Rajat; Maji, Ram Chandra","Ligand-driven redox transformations and catalytic activities of mononuclear copper complexes: structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13215","13227","10.1039/d5dt01511a","","","0.71073","MoKα","","0.178","0.0944","","","0.2575","0.3298","","","","","","1.03","","","","has coordinates","302669","2025-10-06","09:39:25",""
"7719196","16.9677","0.0004","7.6253","0.0002","21.2441","0.0005","90","","90.677","0.001","90","","2748.45","0.12","140","2","139.99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Cl Cu F6 N4 P -","- C6 H18 Cl Cu F6 N4 P -","- C48 H144 Cl8 Cu8 F48 N32 P8 -","8","2","","Rakshit, Soumen; Mitra, Jyotirmoy; Saha, Rajat; Maji, Ram Chandra","Ligand-driven redox transformations and catalytic activities of mononuclear copper complexes: structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13215","13227","10.1039/d5dt01511a","","x-ray","0.71073","MoKα","","0.0443","0.0373","","","0.0928","0.1","","","","","","1.047","","","","has coordinates,has disorder","302669","2025-10-06","09:39:25",""
"7719197","13.4382","0.0002","13.946","0.0002","14.2335","0.0002","95.92","0.001","100.686","0.001","113.085","0.001","2365.27","0.06","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H45 Cl Cu N5 O4 -","- C59 H45 Cl Cu N5 O4 -","- C118 H90 Cl2 Cu2 N10 O8 -","2","1","","Rakshit, Soumen; Mitra, Jyotirmoy; Saha, Rajat; Maji, Ram Chandra","Ligand-driven redox transformations and catalytic activities of mononuclear copper complexes: structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13215","13227","10.1039/d5dt01511a","","","0.71073","MoKα","","0.088","0.0544","","","0.154","0.1762","","","","","","1.027","","","","has coordinates","302669","2025-10-06","09:39:25",""
"7719198","13.7466","0.0007","15.1921","0.0008","18.7516","0.001","101.961","0.004","110.604","0.005","104.385","0.004","3357.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H72 N8 Ni4 O19 -","- C58 H58 N8 Ni4 O19 -","- C116 H116 N16 Ni8 O38 -","2","1","","Kajal, ?; Kumar, Manish; Nayek, Hari Pada","Coordination clusters with a [Ni<sub>4</sub>O<sub>4</sub>] core as catalysts for α-alkylation of ketones with benzyl alcohols.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13326","13336","10.1039/d5dt00811e","","","0.71073","MoKα","","0.1101","0.0763","","","0.2378","0.2678","","","","","","1.04","","","","has coordinates,has disorder","302670","2025-10-06","09:39:52",""
"7719199","15.745","0.0006","20.8017","0.0011","23.2854","0.0011","90","","90.112","0.004","90","","7626.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H74 N8 Ni4 O18 -","- C68 H72 N8 Ni4 O18 -","- C272 H288 N32 Ni16 O72 -","4","1","","Kajal, ?; Kumar, Manish; Nayek, Hari Pada","Coordination clusters with a [Ni<sub>4</sub>O<sub>4</sub>] core as catalysts for α-alkylation of ketones with benzyl alcohols.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13326","13336","10.1039/d5dt00811e","","","0.71073","MoKα","","0.1173","0.0747","","","0.2221","0.2531","","","","","","1.048","","","","has coordinates,has disorder","302670","2025-10-06","09:39:56",""
"7719200","16.2507","0.0003","20.1882","0.0006","24.4606","0.0005","90","","95.152","0.002","90","","7992.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H74 N10 Ni4 O22 -","- C68 H72 N10 Ni4 O22 -","- C272 H288 N40 Ni16 O88 -","4","1","","Kajal, ?; Kumar, Manish; Nayek, Hari Pada","Coordination clusters with a [Ni<sub>4</sub>O<sub>4</sub>] core as catalysts for α-alkylation of ketones with benzyl alcohols.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13326","13336","10.1039/d5dt00811e","","","0.71073","MoKα","","0.1043","0.0736","","","0.2364","0.2615","","","","","","1.081","","","","has coordinates","302670","2025-10-06","09:40:07",""
"7719201","11.4609","0.0007","26.3511","0.0019","13.0439","0.0009","90","","99.499","0.005","90","","3885.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Ho N6 Ni O16.5 -","- C30 H28 Ho N5 Ni O16 -","- C120 H112 Ho4 N20 Ni4 O64 -","4","1","","Dutta, Biswarup; Tarannum, Ibtesham; Jagličić, Zvonko; Singh, Saurabh Kumar; Ray, Debashis","Varying anion coordination in new families of dinuclear Ni<sup>II</sup>Ln<sup>III</sup> complexes: zero-field slow relaxation of magnetization and theoretical validations.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13166","13183","10.1039/d4dt03529a","","","0.71073","MoKα","","0.0388","0.0365","","","0.0912","0.0925","","","","","","1.145","","","","has coordinates,has disorder","302658","2025-10-06","09:31:06",""
"7719202","11.4518","0.0016","26.36","0.004","13.0359","0.0013","90","","99.343","0.01","90","","3882.9","0.9","300","2","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 N6 Ni O16 Tb -","- C30 H28 N5 Ni O16 Tb -","- C120 H112 N20 Ni4 O64 Tb4 -","4","1","","Dutta, Biswarup; Tarannum, Ibtesham; Jagličić, Zvonko; Singh, Saurabh Kumar; Ray, Debashis","Varying anion coordination in new families of dinuclear Ni<sup>II</sup>Ln<sup>III</sup> complexes: zero-field slow relaxation of magnetization and theoretical validations.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13166","13183","10.1039/d4dt03529a","","","0.71073","MoKα","","0.0468","0.043","","","0.1165","0.1192","","","","","","1.131","","","","has coordinates,has disorder","302658","2025-10-06","09:31:07",""
"7719203","11.409","0.002","26.42","0.003","13.0447","0.0018","90","","99.43","0.01","90","","3878.9","1","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Dy N6 Ni O16.5 -","- C30 H28 Dy N5 Ni O16.0833 -","- C120 H112 Dy4 N20 Ni4 O64.3332 -","4","1","","Dutta, Biswarup; Tarannum, Ibtesham; Jagličić, Zvonko; Singh, Saurabh Kumar; Ray, Debashis","Varying anion coordination in new families of dinuclear Ni<sup>II</sup>Ln<sup>III</sup> complexes: zero-field slow relaxation of magnetization and theoretical validations.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13166","13183","10.1039/d4dt03529a","","","0.71073","MoKα","","0.0549","0.0528","","","0.1286","0.1297","","","","","","1.165","","","","has coordinates,has disorder","302658","2025-10-06","09:31:08",""
"7719204","11.348","0.003","13.02","0.003","13.672","0.004","104.4","0.009","92.825","0.012","100.121","0.009","1917","0.9","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H46 Cl N2 Ni O16 Tb -","- C34 H46 Cl N2 Ni O16 Tb -","- C68 H92 Cl2 N4 Ni2 O32 Tb2 -","2","1","","Dutta, Biswarup; Tarannum, Ibtesham; Jagličić, Zvonko; Singh, Saurabh Kumar; Ray, Debashis","Varying anion coordination in new families of dinuclear Ni<sup>II</sup>Ln<sup>III</sup> complexes: zero-field slow relaxation of magnetization and theoretical validations.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13166","13183","10.1039/d4dt03529a","","","0.71073","MoKα","","0.0368","0.032","","","0.0805","0.0834","","","","","","1.048","","","","has coordinates","302658","2025-10-06","09:31:08",""
"7719205","11.279","0.009","13.01","0.009","13.616","0.011","104.608","0.019","92.84","0.02","100.157","0.018","1894","3","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H46 Cl Ho N2 Ni O16 -","- C34 H46 Cl Ho N2 Ni O16 -","- C68 H92 Cl2 Ho2 N4 Ni2 O32 -","2","1","","Dutta, Biswarup; Tarannum, Ibtesham; Jagličić, Zvonko; Singh, Saurabh Kumar; Ray, Debashis","Varying anion coordination in new families of dinuclear Ni<sup>II</sup>Ln<sup>III</sup> complexes: zero-field slow relaxation of magnetization and theoretical validations.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13166","13183","10.1039/d4dt03529a","","","0.71073","MoKα","","0.0663","0.0463","","","0.1065","0.1176","","","","","","1.047","","","","has coordinates","302658","2025-10-06","09:31:08",""
"7719206","11.276","0.005","13.046","0.006","13.645","0.005","104.607","0.011","92.649","0.012","100.102","0.014","1903.6","1.4","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H46 Cl Dy N2 Ni O16 -","- C34 H46 Cl Dy N2 Ni O16 -","- C68 H92 Cl2 Dy2 N4 Ni2 O32 -","2","1","","Dutta, Biswarup; Tarannum, Ibtesham; Jagličić, Zvonko; Singh, Saurabh Kumar; Ray, Debashis","Varying anion coordination in new families of dinuclear Ni<sup>II</sup>Ln<sup>III</sup> complexes: zero-field slow relaxation of magnetization and theoretical validations.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13166","13183","10.1039/d4dt03529a","","","0.71073","MoKα","","0.0446","0.0364","","","0.0873","0.0924","","","","","","1.047","","","","has coordinates","302658","2025-10-06","09:31:08",""
"7719207","9.675","0.003","13.444","0.005","15.414","0.005","69.68","0.004","86.86","0.004","88.453","0.004","1877.2","1.1","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H52 N5 P2 -","- C41 H52 N5 P2 -","- C82 H104 N10 P4 -","2","1","","Laprade, Matthew J. J.; Robertson, Katherine N.; Clyburne, Jason A. C.; Kozak, Christopher M.","A new class of ligand derived from the reactions of bis(dialkylphosphino)amines and 9-diazofluorene: preparation, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11382","11397","10.1039/d4dt03402c","","","0.71073","MoKα","","0.183","0.0678","","","0.1225","0.1617","","","","","","0.937","","","","has coordinates","301446","2025-08-04","14:59:27",""
"7719208","10.4341","0.001","11.7915","0.0012","18.6856","0.0018","96.945","0.001","91.378","0.001","111.064","0.001","2123.9","0.4","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H39 Cl2 N5 P2 -","- C51 H39 Cl2 N5 P2 -","- C102 H78 Cl4 N10 P4 -","2","1","","Laprade, Matthew J. J.; Robertson, Katherine N.; Clyburne, Jason A. C.; Kozak, Christopher M.","A new class of ligand derived from the reactions of bis(dialkylphosphino)amines and 9-diazofluorene: preparation, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11382","11397","10.1039/d4dt03402c","","","0.71073","MoKα","","0.0666","0.043","","","0.0953","0.1066","","","","","","1.016","","","","has coordinates,has disorder","301446","2025-08-04","14:59:28",""
"7719209","10.72595","0.00014","12.93932","0.00018","20.3684","0.0003","106.175","0.0012","102.187","0.0011","94.7288","0.0011","2623.55","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H60 N5 Na O3 P2 -","- C62 H60 N5 Na O3 P2 -","- C124 H120 N10 Na2 O6 P4 -","2","1","","Laprade, Matthew J. J.; Robertson, Katherine N.; Clyburne, Jason A. C.; Kozak, Christopher M.","A new class of ligand derived from the reactions of bis(dialkylphosphino)amines and 9-diazofluorene: preparation, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11382","11397","10.1039/d4dt03402c","","x-ray","1.54184","CuKα","","0.0502","0.043","","","0.1163","0.1235","","","","","","1.054","","","","has coordinates,has disorder","301446","2025-08-04","14:59:29",""
"7719210","8.812","0.003","12.958","0.005","13.777","0.005","87.987","0.005","79.194","0.005","71.304","0.005","1463.2","0.9","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H29 N3 O P2 -","- C37 H29 N3 O P2 -","- C74 H58 N6 O2 P4 -","2","1","","Laprade, Matthew J. J.; Robertson, Katherine N.; Clyburne, Jason A. C.; Kozak, Christopher M.","A new class of ligand derived from the reactions of bis(dialkylphosphino)amines and 9-diazofluorene: preparation, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11382","11397","10.1039/d4dt03402c","","","0.71073","MoKα","","0.1497","0.0804","","","0.1914","0.2258","","","","","","1.021","","","","has coordinates","301446","2025-08-04","14:59:29",""
"7719211","31.166","0.003","9.065","0.001","20.185","0.002","90","","126.542","0.001","90","","4581.6","0.8","125","2","125","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H44 Cl N7 P2 -","- C54 H44 Cl N7 P2 -","- C216 H176 Cl4 N28 P8 -","4","0.5","","Laprade, Matthew J. J.; Robertson, Katherine N.; Clyburne, Jason A. C.; Kozak, Christopher M.","A new class of ligand derived from the reactions of bis(dialkylphosphino)amines and 9-diazofluorene: preparation, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11382","11397","10.1039/d4dt03402c","","","0.71073","MoKα","","0.0475","0.0363","","","0.0895","0.0963","","","","","","1.029","","","","has coordinates","301446","2025-08-04","14:59:30",""
"7719212","44.675","0.008","12.046","0.002","13.484","0.002","90","","90","","90","","7256","2","125","2","125","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C38 H46 Cl N5 P2 -","- C38 H46 Cl N5 P2 -","- C304 H368 Cl8 N40 P16 -","8","0.5","","Laprade, Matthew J. J.; Robertson, Katherine N.; Clyburne, Jason A. C.; Kozak, Christopher M.","A new class of ligand derived from the reactions of bis(dialkylphosphino)amines and 9-diazofluorene: preparation, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11382","11397","10.1039/d4dt03402c","","","0.71073","MoKα","","0.082","0.0541","","","0.094","0.1029","","","","","","1.062","","","","has coordinates,has disorder","301446","2025-08-04","14:59:30",""
"7719213","9.86347","0.00008","20.78128","0.00019","20.82638","0.00017","90","","92.0003","0.0007","90","","4266.3","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H41 N5 P2 Zn -","- C52 H41 N5 P2 Zn -","- C208 H164 N20 P8 Zn4 -","4","1","","Laprade, Matthew J. J.; Robertson, Katherine N.; Clyburne, Jason A. C.; Kozak, Christopher M.","A new class of ligand derived from the reactions of bis(dialkylphosphino)amines and 9-diazofluorene: preparation, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11382","11397","10.1039/d4dt03402c","","x-ray","1.54184","CuKα","","0.0611","0.058","","","0.1964","0.1996","","","","","","1.201","","","","has coordinates","301446","2025-08-04","14:59:31",""
"7719214","20.5739","0.0001","19.1068","0.0001","24.3848","0.0001","90","","105.523","0.001","90","","9236.04","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C110 H96 Al2 N10 O1.5 P4 -","- C110 H96 Al2 N10 O1.5 P4 -","- C440 H384 Al8 N40 O6 P16 -","4","1","","Laprade, Matthew J. J.; Robertson, Katherine N.; Clyburne, Jason A. C.; Kozak, Christopher M.","A new class of ligand derived from the reactions of bis(dialkylphosphino)amines and 9-diazofluorene: preparation, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","29","11382","11397","10.1039/d4dt03402c","","x-ray","1.54184","CuKα","","0.0569","0.048","","","0.1165","0.126","","","","","","1.026","","","","has coordinates,has disorder","301446","2025-08-04","14:59:31",""
"7719215","7.9984","0.0002","20.735","0.0005","17.042","0.0005","90","","102.997","0.003","90","","2753.96","0.13","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H25 I6 N2 O2 Pb2 -","- C11.9975 H23.996 I5.9965 N2 O2 Pb2 -","- C47.99 H95.984 I23.986 N8 O8 Pb8 -","4","2","","Yu, Hongli; Hao, Ruibin; Zhao, Dong; Chi, Lingyu; Zhao, Xianlong; Cui, Yibo; Liu, Kunjie; Zhao, Jing; Liu, Quanlin","Chiral organic hybrids for nonlinear optical applications and solvent-induced reversible red-yellow color change.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11638","11643","10.1039/d5dt00391a","","x-ray","0.71073","MoKα","","0.0405","0.0355","","","0.0784","0.0809","","","","","","1.004","","","","has coordinates,has disorder","301447","2025-08-04","15:04:59",""
"7719216","8.3592","0.0002","27.2586","0.0008","9.7291","0.0003","90","","90","","90","","2216.87","0.11","99.98","0.1","99.98","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H20 Bi I5 N2 -","- C12 H20 Bi I5 N2 -","- C48 H80 Bi4 I20 N8 -","4","1","","Yu, Hongli; Hao, Ruibin; Zhao, Dong; Chi, Lingyu; Zhao, Xianlong; Cui, Yibo; Liu, Kunjie; Zhao, Jing; Liu, Quanlin","Chiral organic hybrids for nonlinear optical applications and solvent-induced reversible red-yellow color change.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11638","11643","10.1039/d5dt00391a","","x-ray","0.71073","MoKα","","0.0293","0.026","","","0.0594","0.0606","","","","","","1.012","","","","has coordinates","301447","2025-08-04","15:05:20",""
"7719217","7.9964","0.0002","20.7634","0.0006","17.0445","0.0005","90","","102.828","0.003","90","","2759.31","0.14","100","0.1","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H24 I6 N2 O2 Pb2 -","- C12 H24 I6 N2 O2 Pb2 -","- C48 H96 I24 N8 O8 Pb8 -","4","2","","Yu, Hongli; Hao, Ruibin; Zhao, Dong; Chi, Lingyu; Zhao, Xianlong; Cui, Yibo; Liu, Kunjie; Zhao, Jing; Liu, Quanlin","Chiral organic hybrids for nonlinear optical applications and solvent-induced reversible red-yellow color change.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11638","11643","10.1039/d5dt00391a","","","0.71073","MoKα","","0.0306","0.025","","","0.0467","0.0481","","","","","","0.952","","","","has coordinates","301447","2025-08-04","15:05:21",""
"7719218","8.3543","0.0002","27.1839","0.0005","9.6429","0.0002","90","","90","","90","","2189.93","0.08","100","0.1","100","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H20 I5 N2 Sb -","- C12 H20 I5 N2 Sb -","- C48 H80 I20 N8 Sb4 -","4","1","","Yu, Hongli; Hao, Ruibin; Zhao, Dong; Chi, Lingyu; Zhao, Xianlong; Cui, Yibo; Liu, Kunjie; Zhao, Jing; Liu, Quanlin","Chiral organic hybrids for nonlinear optical applications and solvent-induced reversible red-yellow color change.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11638","11643","10.1039/d5dt00391a","","x-ray","0.71073","MoKα","","0.0241","0.0199","","","0.0359","0.0369","","","","","","1.01","","","","has coordinates","301447","2025-08-04","15:05:22",""
"7719219","8.3539","0.0001","27.1787","0.0004","9.6393","0.0002","90","","90","","90","","2188.59","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H20 I5 N2 Sb -","- C12 H20 I5 N2 Sb -","- C48 H80 I20 N8 Sb4 -","4","1","","Yu, Hongli; Hao, Ruibin; Zhao, Dong; Chi, Lingyu; Zhao, Xianlong; Cui, Yibo; Liu, Kunjie; Zhao, Jing; Liu, Quanlin","Chiral organic hybrids for nonlinear optical applications and solvent-induced reversible red-yellow color change.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11638","11643","10.1039/d5dt00391a","","x-ray","0.71073","MoKα","","0.0243","0.0206","","","0.0383","0.0392","","","","","","1.035","","","","has coordinates","301447","2025-08-04","15:05:22",""
"7719220","8.3564","0.0002","27.2752","0.0006","9.7097","0.0002","90","","90","","90","","2213.06","0.09","100","0.1","100","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H20 Bi I5 N2 -","- C12 H20 Bi I5 N2 -","- C48 H80 Bi4 I20 N8 -","4","1","","Yu, Hongli; Hao, Ruibin; Zhao, Dong; Chi, Lingyu; Zhao, Xianlong; Cui, Yibo; Liu, Kunjie; Zhao, Jing; Liu, Quanlin","Chiral organic hybrids for nonlinear optical applications and solvent-induced reversible red-yellow color change.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11638","11643","10.1039/d5dt00391a","","x-ray","0.71073","MoKα","","0.0224","0.0197","","","0.0458","0.0466","","","","","","1.017","","","","has coordinates","301447","2025-08-04","15:05:22",""
"7719221","13.013","0.0019","14.234","0.0012","20.382","0.004","103.771","0.008","107.797","0.013","98.259","0.01","3394.4","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H69 Br0.02 Cl2.98 N8 P2 Pd S7 -","- C67 H69 Br0.017 Cl2.983 N8 P2 Pd S7 -","- C134 H138 Br0.034 Cl5.966 N16 P4 Pd2 S14 -","2","1","","Belviso, Sandra; Larotonda, Giuseppe; Santoro, Ernesto; Santarsiere, Alessandro; Tuzi, Angela","Synthesis, electronic properties, structural studies, and catalytic activity of peripherally metalated β-η<sup>1</sup>-Pd(II)-thioalkyl porphyrazine.","Dalton transactions (Cambridge, England : 2003)","2025","54","30","11563","11572","10.1039/d5dt01394a","","","0.71073","MoKα","","0.0848","0.0459","","","0.0786","0.0902","","","","","","1.03","","","","has coordinates,has disorder","301448","2025-08-04","15:06:39",""
"7719222","12.5618","0.0007","16.9643","0.0013","15.7292","0.001","90","","103.104","0.0019","90","","3264.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12.88 H5.56 F23.32 Na O15.44 Tb3 -","- C12.88 H5.56 F23.32 Na O15.44 Tb3 -","- C51.52 H22.24 F93.28 Na4 O61.76 Tb12 -","4","1","","Boltkov, Evgeny D.; Buzoverov, Mikhail E.; Lermontova, Elmira Kh; Belousov, Yury A.; Steshenko, Dmitry A.; Gontcharenko, Victoria E.; Glazunova, Tatyana Yu","The miracle of self-assembly: a journey of the {Ln<sub>6</sub>F<sub>8</sub>} core in the world of lanthanides.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12503","12515","10.1039/d5dt01105a","","","0.71073","MoKα","","0.0777","0.0542","","","0.1152","0.1245","","","","","","1.046","","","","has coordinates,has disorder","302621","2025-10-06","09:13:33",""
"7719223","12.2979","0.0013","16.8534","0.0018","17.2806","0.0018","90.742","0.004","100.049","0.004","98.547","0.004","3484.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H21 Dy12 F103 Na4 O66 -","- C58 H21 Dy12 F103 Na4 O66 -","- C58 H21 Dy12 F103 Na4 O66 -","1","0.5","","Boltkov, Evgeny D.; Buzoverov, Mikhail E.; Lermontova, Elmira Kh; Belousov, Yury A.; Steshenko, Dmitry A.; Gontcharenko, Victoria E.; Glazunova, Tatyana Yu","The miracle of self-assembly: a journey of the {Ln<sub>6</sub>F<sub>8</sub>} core in the world of lanthanides.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12503","12515","10.1039/d5dt01105a","","","0.71073","MoKα","","0.0375","0.0312","","","0.0704","0.0726","","","","","","1.035","","","","has coordinates,has disorder","302621","2025-10-06","09:13:33",""
"7719224","12.1977","0.0006","16.7791","0.0009","17.3338","0.0009","90.829","0.002","99.614","0.002","98.349","0.002","3458","0.3","446","2","446","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H21 F103 Na4 O66 Tm12 -","- C58 H21 F103 Na4 O66 Tm12 -","- C58 H21 F103 Na4 O66 Tm12 -","1","0.5","","Boltkov, Evgeny D.; Buzoverov, Mikhail E.; Lermontova, Elmira Kh; Belousov, Yury A.; Steshenko, Dmitry A.; Gontcharenko, Victoria E.; Glazunova, Tatyana Yu","The miracle of self-assembly: a journey of the {Ln<sub>6</sub>F<sub>8</sub>} core in the world of lanthanides.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12503","12515","10.1039/d5dt01105a","","","0.71073","MoKα","","0.0296","0.0274","","","0.0633","0.0646","","","","","","1.081","","","","has coordinates,has disorder","302621","2025-10-06","09:13:33",""
"7719225","12.46","0.0009","16.9211","0.0012","15.5382","0.0012","90","","101.849","0.002","90","","3206.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12.88 H5.56 Eu3 F23.32 Na O15.44 -","- C12.88 H5.56 Eu3 F23.32 Na O15.44 -","- C51.52 H22.24 Eu12 F93.28 Na4 O61.76 -","4","1","","Boltkov, Evgeny D.; Buzoverov, Mikhail E.; Lermontova, Elmira Kh; Belousov, Yury A.; Steshenko, Dmitry A.; Gontcharenko, Victoria E.; Glazunova, Tatyana Yu","The miracle of self-assembly: a journey of the {Ln<sub>6</sub>F<sub>8</sub>} core in the world of lanthanides.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12503","12515","10.1039/d5dt01105a","","","0.71073","MoKα","","0.0476","0.0394","","","0.0947","0.0994","","","","","","1.023","","","","has coordinates,has disorder","302621","2025-10-06","09:13:33",""
"7719226","11.6426","0.0006","12.2776","0.0006","14.2779","0.0007","107.403","0.001","108.191","0.001","104.197","0.002","1716.24","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H7 F25 K O17 Yb3 -","- C14 H7 F25 K O17 Yb3 -","- C28 H14 F50 K2 O34 Yb6 -","2","1","","Boltkov, Evgeny D.; Buzoverov, Mikhail E.; Lermontova, Elmira Kh; Belousov, Yury A.; Steshenko, Dmitry A.; Gontcharenko, Victoria E.; Glazunova, Tatyana Yu","The miracle of self-assembly: a journey of the {Ln<sub>6</sub>F<sub>8</sub>} core in the world of lanthanides.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12503","12515","10.1039/d5dt01105a","","","0.71073","MoKα","","0.0329","0.0282","","","0.0595","0.0611","","","","","","1.046","","","","has coordinates,has disorder","302621","2025-10-06","09:13:33",""
"7719227","12.5703","0.0007","17.1307","0.0009","17.3098","0.0011","90.34","0.002","100.653","0.002","98.873","0.002","3617.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H21 F103 Na4 O66 Pr12 -","- C58 H21 F103 Na4 O66 Pr12 -","- C58 H21 F103 Na4 O66 Pr12 -","1","0.5","","Boltkov, Evgeny D.; Buzoverov, Mikhail E.; Lermontova, Elmira Kh; Belousov, Yury A.; Steshenko, Dmitry A.; Gontcharenko, Victoria E.; Glazunova, Tatyana Yu","The miracle of self-assembly: a journey of the {Ln<sub>6</sub>F<sub>8</sub>} core in the world of lanthanides.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12503","12515","10.1039/d5dt01105a","","","0.71073","MoKα","","0.0383","0.0358","","","0.0813","0.0826","","","","","","1.078","","","","has coordinates,has disorder","302621","2025-10-06","09:13:33",""
"7719228","32.5295","0.0006","32.5295","0.0006","23.6298","0.0007","90","","90","","120","","21654.4","0.9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H9.96 Eu4 F32.33 Na O23.48 -","- C18 H9.96 Eu4 F32.3333 Na O23.48 -","- C324 H179.28 Eu72 F582 Na18 O422.64 -","18","1","","Boltkov, Evgeny D.; Buzoverov, Mikhail E.; Lermontova, Elmira Kh; Belousov, Yury A.; Steshenko, Dmitry A.; Gontcharenko, Victoria E.; Glazunova, Tatyana Yu","The miracle of self-assembly: a journey of the {Ln<sub>6</sub>F<sub>8</sub>} core in the world of lanthanides.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12503","12515","10.1039/d5dt01105a","","","0.71073","MoKα","","0.0721","0.0442","","","0.1011","0.1085","","","","","","1.1","","","","has coordinates,has disorder","302621","2025-10-06","09:13:33",""
"7719229","5.754","0.0009","12.77","0.002","27.746","0.005","87.658","0.005","87.531","0.004","89.135","0.004","2035","0.6","120","","120","","","","","","","","","6","P 1","P 1","1","","","","- C7 H10 Ag N O2 S2 -","- C7 H10 Ag N O2 S2 -","- C56 H80 Ag8 N8 O16 S16 -","8","8","","Behling, Vreni; Heinrich, Jakob; Díaz, Dolores; Brohmer, Elias H. P.; Heinrich, Julian; Schlörer, Nils; Kupfer, Stephan; Kulak, Nora; Köhler, Phil","Silver dithiocarbamates derived from amino acid esters.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12772","12783","10.1039/d5dt01476j","","x-ray","0.71073","MoKα","","0.0792","0.0561","","","0.08","0.0865","","","","","","1.049","","","","has coordinates","302681","2025-10-06","09:46:07",""
"7719230","13.065","0.003","14.645","0.003","14.967","0.003","66.891","0.004","82.622","0.005","81.844","0.005","2599","1","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Ag N O4 S2 -","- C9 H14 Ag N O4 S2 -","- C72 H112 Ag8 N8 O32 S16 -","8","4","","Behling, Vreni; Heinrich, Jakob; Díaz, Dolores; Brohmer, Elias H. P.; Heinrich, Julian; Schlörer, Nils; Kupfer, Stephan; Kulak, Nora; Köhler, Phil","Silver dithiocarbamates derived from amino acid esters.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12772","12783","10.1039/d5dt01476j","","x-ray","0.71073","MoKα","","0.0792","0.0372","","","0.0611","0.0721","","","","","","0.992","","","","has coordinates,has disorder","302681","2025-10-06","09:46:08",""
"7719231","18.6779","0.0011","5.868","0.0003","49.985","0.003","90","","90","","90","","5478.5","0.5","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Ag N O2 S2 -","- C12 H14 Ag N O2 S2 -","- C192 H224 Ag16 N16 O32 S32 -","16","2","","Behling, Vreni; Heinrich, Jakob; Díaz, Dolores; Brohmer, Elias H. P.; Heinrich, Julian; Schlörer, Nils; Kupfer, Stephan; Kulak, Nora; Köhler, Phil","Silver dithiocarbamates derived from amino acid esters.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12772","12783","10.1039/d5dt01476j","","x-ray","0.71073","MoKα","","0.0448","0.0398","","","0.0786","0.0799","","","","","","1.288","","","","has coordinates","302681","2025-10-06","09:46:08",""
"7719232","6.114","0.0003","9.0512","0.0004","9.3073","0.0004","116.664","0.001","90.429","0.001","101.427","0.001","448.42","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H4 N4 Na2 O8 -","- C4 H4 N4 Na2 O8 -","- C8 H8 N8 Na4 O16 -","2","1","","Jujam, Manojkumar; Yadav, Abhishek Kumar; Dharavath, Srinivas","Crystal engineering of dinitropyrazine-based sodium E-MOFs: toward thermally robust and low-sensitivity energetic materials.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13347","13355","10.1039/d5dt01508a","","","0.71073","MoKα","","0.0304","0.0286","","","0.0777","0.0794","","","","","","0.95","","","","has coordinates","302662","2025-10-06","09:35:28",""
"7719233","6.3181","0.0005","10.8704","0.0008","12.6798","0.001","90","","102.52","0.002","90","","850.14","0.11","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H3 N4 Na O6 -","- C5 H3 N4 Na O6 -","- C20 H12 N16 Na4 O24 -","4","1","","Jujam, Manojkumar; Yadav, Abhishek Kumar; Dharavath, Srinivas","Crystal engineering of dinitropyrazine-based sodium E-MOFs: toward thermally robust and low-sensitivity energetic materials.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13347","13355","10.1039/d5dt01508a","","","0.71073","MoKα","","0.0414","0.0342","","","0.0836","0.0877","","","","","","1.067","","","","has coordinates","302662","2025-10-06","09:35:30",""
"7719234","5.0582","0.0002","8.6471","0.0004","11.001","0.0005","105.712","0.001","99.733","0.001","98.561","0.001","446.81","0.03","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H5 N4 Na O8 -","- C4 H5 N4 Na O8 -","- C8 H10 N8 Na2 O16 -","2","1","","Jujam, Manojkumar; Yadav, Abhishek Kumar; Dharavath, Srinivas","Crystal engineering of dinitropyrazine-based sodium E-MOFs: toward thermally robust and low-sensitivity energetic materials.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13347","13355","10.1039/d5dt01508a","","","0.71073","MoKα","","0.0307","0.0297","","","0.0834","0.0842","","","","","","1.063","","","","has coordinates","302662","2025-10-06","09:35:31",""
"7719235","9.1942","0.0003","3.0839","0.0001","9.3064","0.0003","90","","90","","90","","263.874","0.015","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B Ga Mg O4 -","- B Ga Mg O4 -","- B4 Ga4 Mg4 O16 -","4","0.5","","Gokhfeld, Yulia S.; Kazak, Natalia V.; Tarasova, Anastasia S.; Sukhikh, Aleksandr S.; Velikanov, Dmitry A.; Eremin, Evgeniy V.; Kondratev, Oleg A.; Belyaeva, Anna O.; Gavrilkin, Sergey Yu; Vasiliev, Alexander D.; Ovchinnikov, Sergey G.","Magnetic order in disordered NiCr(BO<sub>3</sub>)O.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13271","13281","10.1039/d5dt01230a","","","0.71073","MoKα","","0.0312","0.0249","","","0.0637","0.0684","","","","","","1.104","","","","has coordinates","302660","2025-10-06","09:34:32",""
"7719236","9.3442","0.0003","9.0938","0.0003","3.0481","0.0001","90","","90","","90","","259.01","0.015","100","","100","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- B Cr Ni O4 -","- B Cr Ni O4 -","- B4 Cr4 Ni4 O16 -","4","0.5","","Gokhfeld, Yulia S.; Kazak, Natalia V.; Tarasova, Anastasia S.; Sukhikh, Aleksandr S.; Velikanov, Dmitry A.; Eremin, Evgeniy V.; Kondratev, Oleg A.; Belyaeva, Anna O.; Gavrilkin, Sergey Yu; Vasiliev, Alexander D.; Ovchinnikov, Sergey G.","Magnetic order in disordered NiCr(BO<sub>3</sub>)O.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13271","13281","10.1039/d5dt01230a","","x-ray","0.71073","MoKα","","0.0219","0.0186","","","0.0467","0.048","","","","","","1.074","","","","has coordinates,has disorder","302660","2025-10-06","09:34:34",""
"7719237","9.3438","0.0013","9.0908","0.0013","3.0507","0.0004","90","","90","","90","","259.13","0.06","300","","300","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- B Cr Ni O4 -","- B Cr Ni O4 -","- B4 Cr4 Ni4 O16 -","4","0.5","","Gokhfeld, Yulia S.; Kazak, Natalia V.; Tarasova, Anastasia S.; Sukhikh, Aleksandr S.; Velikanov, Dmitry A.; Eremin, Evgeniy V.; Kondratev, Oleg A.; Belyaeva, Anna O.; Gavrilkin, Sergey Yu; Vasiliev, Alexander D.; Ovchinnikov, Sergey G.","Magnetic order in disordered NiCr(BO<sub>3</sub>)O.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13271","13281","10.1039/d5dt01230a","","x-ray","0.71073","MoKα","","0.0208","0.018","","","0.0447","0.0457","","","","","","1.103","","","","has coordinates,has disorder","302660","2025-10-06","09:34:34",""
"7719238","23.1797","0.0007","23.1797","0.0007","11.0445","0.0004","90","","90","","90","","5934.2","0.3","295","2","295","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C52 H36 Cl4 Cu4 N8 O12 S4 -","- C52 H36 Cl4 Cu4 N8 O12 S4 -","- C208 H144 Cl16 Cu16 N32 O48 S16 -","4","0.25","","Santa Maria de la Parra, Lucía; Riafrecha, Leonardo E.; Echeverría, Gustavo A; Lezama, Luis; Piro, Oscar E.; Gil, Diego M.; Frontera, Antonio; León, Ignacio E","Structural, spectroscopic, theoretical, and magnetic investigations of a novel cubane-like tetranuclear copper(II)-hydrazone complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13976","13989","10.1039/d5dt01463h","","x-ray","0.71073","MoKα","","0.0652","0.0424","","","0.0891","0.101","","","","","","1.072","","","","has coordinates","302601","2025-10-06","09:03:43",""
"7719239","12.8111","0.0005","18.9792","0.0005","12.8573","0.0005","90","","117.617","0.005","90","","2770","0.2","295","2","295","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H11 Cl N2 O3 S -","- C13 H11 Cl N2 O3 S -","- C104 H88 Cl8 N16 O24 S8 -","8","2","","Santa Maria de la Parra, Lucía; Riafrecha, Leonardo E.; Echeverría, Gustavo A; Lezama, Luis; Piro, Oscar E.; Gil, Diego M.; Frontera, Antonio; León, Ignacio E","Structural, spectroscopic, theoretical, and magnetic investigations of a novel cubane-like tetranuclear copper(II)-hydrazone complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13976","13989","10.1039/d5dt01463h","","x-ray","0.71073","MoKα","","0.0524","0.0363","","","0.0823","0.0937","","","","","","1.037","","","","has coordinates","302601","2025-10-06","09:03:55",""
"7719240","7.6299","0.0011","18.766","0.003","21.173","0.003","80.196","0.005","85.709","0.005","89.89","0.005","2978.8","0.8","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C36.15 H31.6 N5 O3.15 -","- C36.15 H31.6 N5 O3.15 -","- C144.6 H126.4 N20 O12.6 -","4","2","","Li, Zhengguang; Li, Yaqin; Liu, Yongxin; Li, Kaixiu; Fu, Fan; Liu, Mingliang; Yuan, Jie; Zhang, Tao; Wang, Jun; Li, Yiming; Shen, Fenghua; Liu, Hui; Wang, Pingshan; Liu, Die","Construction of 2,2':6',2''-terpyridine-modified porous organic polymers <i>via</i> building unit engineering: preferred and universal transition metal carrier and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12824","12830","10.1039/d5dt01504a","","","1.34139","GaKα","","0.0763","0.067","","","0.1805","0.1908","","","","","","1.118","","","","has coordinates","302678","2025-10-06","09:43:48",""
"7719241","27.73","0.002","22.9701","0.0016","10.5719","0.0008","90","","95.438","0.003","90","","6703.6","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H41 N5 O2 -","- C40 H41 N5 O2 -","- C320 H328 N40 O16 -","8","2","","Li, Zhengguang; Li, Yaqin; Liu, Yongxin; Li, Kaixiu; Fu, Fan; Liu, Mingliang; Yuan, Jie; Zhang, Tao; Wang, Jun; Li, Yiming; Shen, Fenghua; Liu, Hui; Wang, Pingshan; Liu, Die","Construction of 2,2':6',2''-terpyridine-modified porous organic polymers <i>via</i> building unit engineering: preferred and universal transition metal carrier and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12824","12830","10.1039/d5dt01504a","","","1.34139","GaKα","","0.1009","0.0705","","","0.1836","0.1956","","","","","","1.094","","","","has coordinates,has disorder","302678","2025-10-06","09:43:58",""
"7719242","21.4335","0.0005","10.8547","0.0003","24.4405","0.0007","90","","103.359","0.003","90","","5532.3","0.3","100","0.2","100","0.2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C66 H58 Ag2 Cl2 N6 O2 -","- C66 H58 Ag2 Cl2 N6 O2 -","- C264 H232 Ag8 Cl8 N24 O8 -","4","0.5","","Podchorodecka, Pamela; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPaul<sup>Het</sup> - spatially-defined, wingtip-flexible, N,C-chelating oxazole and thiazole donor N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14267","14276","10.1039/d5dt01576f","","","0.71073","MoKα","","0.048","0.0382","","","0.0813","0.0841","","","","","","1.097","","","","has coordinates","302697","2025-10-06","09:53:50",""
"7719243","21.5289","0.0016","11.1258","0.0011","24.934","0.003","90","","103.427","0.009","90","","5809.1","1","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C66 H58 Ag2 Cl2 N6 S2 -","- C66 H58 Ag2 Cl2 N6 S2 -","- C264 H232 Ag8 Cl8 N24 S8 -","4","0.5","","Podchorodecka, Pamela; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPaul<sup>Het</sup> - spatially-defined, wingtip-flexible, N,C-chelating oxazole and thiazole donor N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14267","14276","10.1039/d5dt01576f","","","0.71073","MoKα","","0.1077","0.0676","","","0.1563","0.1828","","","","","","1.039","","","","has coordinates","302697","2025-10-06","09:53:51",""
"7719244","8.2937","0.0005","9.1141","0.0004","20.2862","0.0009","92.378","0.004","90.992","0.004","111.94","0.005","1420.25","0.13","100","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 Cl2 N3 Pd S -","- C33 H29 Cl2 N3 Pd S -","- C66 H58 Cl4 N6 Pd2 S2 -","2","1","","Podchorodecka, Pamela; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPaul<sup>Het</sup> - spatially-defined, wingtip-flexible, N,C-chelating oxazole and thiazole donor N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14267","14276","10.1039/d5dt01576f","","","1.54184","CuKα","","0.0854","0.0585","","","0.151","0.1633","","","","","","1.088","","","","has coordinates","302697","2025-10-06","09:53:51",""
"7719245","11.9735","0.0002","10.7027","0.0002","24.6745","0.0004","90","","98.214","0.002","90","","3129.57","0.09","119.9","0.3","119.9","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H26 Gd N3 O10 -","- C32 H26 Gd N3 O10 -","- C128 H104 Gd4 N12 O40 -","4","0.5","","Jornet-Mollá, Verónica; Gómez-García, Carlos J; Dolz-Lozano, Miquel J; Giménez-Saiz, Carlos; Romero, Francisco M.","Synthesis, structure and slow magnetic relaxation of lanthanoid coordination polymers based on ethynyl-bridged picolinate ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13143","13154","10.1039/d5dt01330e","","x-ray","0.71073","MoKα","","0.0153","0.0143","","","0.0365","0.0371","","","","","","1.111","","","","has coordinates","302661","2025-10-06","09:34:59",""
"7719246","11.93381","0.00013","10.72771","0.00015","24.4262","0.0003","90","","98.6388","0.0011","90","","3091.62","0.07","120","0.1","120","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H26 Er N3 O10 -","- C32 H26 Er N3 O10 -","- C128 H104 Er4 N12 O40 -","4","0.5","","Jornet-Mollá, Verónica; Gómez-García, Carlos J; Dolz-Lozano, Miquel J; Giménez-Saiz, Carlos; Romero, Francisco M.","Synthesis, structure and slow magnetic relaxation of lanthanoid coordination polymers based on ethynyl-bridged picolinate ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13143","13154","10.1039/d5dt01330e","","x-ray","0.71073","MoKα","","0.0167","0.0149","","","0.0354","0.0364","","","","","","1.085","","","","has coordinates","302661","2025-10-06","09:35:09",""
"7719247","11.95379","0.00012","10.71643","0.00011","24.5755","0.0003","90","","98.3607","0.0009","90","","3114.71","0.06","119.9","0.3","119.9","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H26 N3 O10 Tb -","- C32 H26 N3 O10 Tb -","- C128 H104 N12 O40 Tb4 -","4","0.5","","Jornet-Mollá, Verónica; Gómez-García, Carlos J; Dolz-Lozano, Miquel J; Giménez-Saiz, Carlos; Romero, Francisco M.","Synthesis, structure and slow magnetic relaxation of lanthanoid coordination polymers based on ethynyl-bridged picolinate ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13143","13154","10.1039/d5dt01330e","","x-ray","0.71073","MoKα","","0.014","0.0128","","","0.0311","0.0318","","","","","","1.097","","","","has coordinates","302661","2025-10-06","09:35:11",""
"7719248","11.9306","0.0002","10.7799","0.0002","24.3559","0.0004","90","","98.763","0.002","90","","3095.86","0.09","119.9","0.3","119.9","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H26 Ho N3 O10 -","- C32 H26 Ho N3 O10 -","- C128 H104 Ho4 N12 O40 -","4","0.5","","Jornet-Mollá, Verónica; Gómez-García, Carlos J; Dolz-Lozano, Miquel J; Giménez-Saiz, Carlos; Romero, Francisco M.","Synthesis, structure and slow magnetic relaxation of lanthanoid coordination polymers based on ethynyl-bridged picolinate ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13143","13154","10.1039/d5dt01330e","","x-ray","0.71073","MoKα","","0.0317","0.0257","","","0.0494","0.0522","","","","","","1.098","","","","has coordinates","302661","2025-10-06","09:35:12",""
"7719249","11.93791","0.00009","10.73099","0.00012","24.5071","0.0003","90","","98.3972","0.0008","90","","3105.84","0.06","119.95","0.1","119.95","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H26 Dy N3 O10 -","- C32 H26 Dy N3 O10 -","- C128 H104 Dy4 N12 O40 -","4","0.5","","Jornet-Mollá, Verónica; Gómez-García, Carlos J; Dolz-Lozano, Miquel J; Giménez-Saiz, Carlos; Romero, Francisco M.","Synthesis, structure and slow magnetic relaxation of lanthanoid coordination polymers based on ethynyl-bridged picolinate ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13143","13154","10.1039/d5dt01330e","","x-ray","0.71073","MoKα","","0.0184","0.0159","","","0.0371","0.0391","","","","","","1.119","","","","has coordinates","302661","2025-10-06","09:35:12",""
"7719250","10.6897","0.0015","27.411","0.004","6.6883","0.0009","90","","99.534","0.005","90","","1932.7","0.5","296.15","","296.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H19 Br Cu N O5 -","- C18 H19 Br Cu N O5 -","- C72 H76 Br4 Cu4 N4 O20 -","4","1","","Manurkar, Nagesh; Ilyas, Mubashar; Arshad, Faiza; Patil, Prasanna; Tariq, Qamar-Un-Nisa; Khan, Shahzad; Khan, Maroof Ahmad; Li, Hui","Nonlinear optical functionalized Cu(II) coordination complexes with chiral ligands: design, structural elucidation, and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13443","13458","10.1039/d5dt01513h","","","0.71073","MoKα","","0.0485","0.0329","","","0.0712","0.0773","","","","","","0.925","","","","has coordinates","302640","2025-10-06","09:23:07",""
"7719251","10.9097","0.0008","27.347","0.002","6.7079","0.0005","90","","99.858","0.002","90","","1971.7","0.3","296.15","","296.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H18 Cu I N O5 -","- C18 H18 Cu I N O5 -","- C72 H72 Cu4 I4 N4 O20 -","4","1","","Manurkar, Nagesh; Ilyas, Mubashar; Arshad, Faiza; Patil, Prasanna; Tariq, Qamar-Un-Nisa; Khan, Shahzad; Khan, Maroof Ahmad; Li, Hui","Nonlinear optical functionalized Cu(II) coordination complexes with chiral ligands: design, structural elucidation, and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13443","13458","10.1039/d5dt01513h","","","0.71073","MoKα","","0.0671","0.0413","","","0.0745","0.0852","","","","","","0.99","","","","has coordinates","302640","2025-10-06","09:23:09",""
"7719252","14.257","0.0015","21.936","0.002","7.8624","0.0007","90","","91.601","0.004","90","","2457.9","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 F6 O P -","- C30 H19 F6 O P -","- C120 H76 F24 O4 P4 -","4","1","","Yuan, Yumeng; Zhao, Lingfeng; Cordier, Marie; Roisnel, Thierry; Pensel, Anne; Hissler, Muriel; Bouit, Pierre-Antoine; Darcel, Christophe","Using blue-light driven iron-catalysis to afford molecular diversity in phosphindole oxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13040","13047","10.1039/d5dt01551k","","x-ray","0.71073","MoKα","","0.0591","0.0503","","","0.1283","0.1347","","","","","","1.046","","","","has coordinates,has disorder","302663","2025-10-06","09:35:52",""
"7719253","10.8375","0.0018","17.897","0.003","9.7955","0.0015","90","","92.561","0.006","90","","1898","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 F2 O P -","- C26 H15 F2 O P -","- C104 H60 F8 O4 P4 -","4","1","","Yuan, Yumeng; Zhao, Lingfeng; Cordier, Marie; Roisnel, Thierry; Pensel, Anne; Hissler, Muriel; Bouit, Pierre-Antoine; Darcel, Christophe","Using blue-light driven iron-catalysis to afford molecular diversity in phosphindole oxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13040","13047","10.1039/d5dt01551k","","x-ray","0.71073","MoKα","","0.0769","0.0545","","","0.142","0.1571","","","","","","0.96","","","","has coordinates,has disorder","302663","2025-10-06","09:35:55",""
"7719254","11.2531","0.0001","14.0962","0.0001","14.025","0.0001","90","","106.129","0.001","90","","2137.16","0.03","150","2","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N2 O2 Sn -","- C22 H30 N2 O2 Sn -","- C88 H120 N8 O8 Sn4 -","4","1","","Ryan, Aidan; Delattre, Hugo; Kociok-Köhn, Gabriele; Johnson, Andrew L.","Synthesis and characterization of Sn(II) complexes supported by amino bis-phenoxide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13632","13641","10.1039/d5dt01442e","","x-ray","1.54184","CuKα","","0.0335","0.0332","","","0.0897","0.09","","","","","","1.078","","","","has coordinates","302647","2025-10-06","09:26:38",""
"7719255","12.16953","0.00008","21.43889","0.00015","21.98942","0.00015","90","","91.0062","0.0006","90","","5736.18","0.07","150","2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H69 N7 O4 Sn2 -","- C63 H69 N7 O4 Sn2 -","- C252 H276 N28 O16 Sn8 -","4","1","","Ryan, Aidan; Delattre, Hugo; Kociok-Köhn, Gabriele; Johnson, Andrew L.","Synthesis and characterization of Sn(II) complexes supported by amino bis-phenoxide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13632","13641","10.1039/d5dt01442e","","x-ray","1.54184","CuKα","","0.0241","0.0225","","","0.0556","0.0566","","","","","","1.027","","","","has coordinates","302647","2025-10-06","09:26:39",""
"7719256","7.8323","0.0001","15.2636","0.0001","35.1984","0.0003","90","","90","","90","","4207.94","0.07","150","2","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H30 N2 O2 Sn -","- C22 H30 N2 O2 Sn -","- C176 H240 N16 O16 Sn8 -","8","1","","Ryan, Aidan; Delattre, Hugo; Kociok-Köhn, Gabriele; Johnson, Andrew L.","Synthesis and characterization of Sn(II) complexes supported by amino bis-phenoxide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13632","13641","10.1039/d5dt01442e","","x-ray","1.54184","CuKα","","0.0848","0.0843","","","0.1973","0.1974","","","","","","1.268","","","","has coordinates","302647","2025-10-06","09:26:39",""
"7719257","13.3129","0.0003","10.2107","0.0002","24.6653","0.0006","90","","97.46","0.002","90","","3324.47","0.13","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 N2 O2 Sn -","- C34 H54 N2 O2 Sn -","- C136 H216 N8 O8 Sn4 -","4","1","","Ryan, Aidan; Delattre, Hugo; Kociok-Köhn, Gabriele; Johnson, Andrew L.","Synthesis and characterization of Sn(II) complexes supported by amino bis-phenoxide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13632","13641","10.1039/d5dt01442e","","x-ray","1.54184","CuKα","","0.0505","0.0463","","","0.1053","0.107","","","","","","1.19","","","","has coordinates","302647","2025-10-06","09:26:39",""
"7719258","24.51991","0.00012","12.63699","0.00007","15.47487","0.00009","90","","95.1081","0.0005","90","","4775.97","0.05","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H65 N5 O4 Sn2 -","- C51 H65 N5 O4 Sn2 -","- C204 H260 N20 O16 Sn8 -","4","1","","Ryan, Aidan; Delattre, Hugo; Kociok-Köhn, Gabriele; Johnson, Andrew L.","Synthesis and characterization of Sn(II) complexes supported by amino bis-phenoxide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13632","13641","10.1039/d5dt01442e","","x-ray","1.54184","CuKα","","0.0255","0.0248","","","0.0647","0.0653","","","","","","1.055","","","","has coordinates","302647","2025-10-06","09:26:39",""
"7719259","15.4186","0.0002","21.925","0.0002","14.6746","0.0002","90","","110.014","0.0015","90","","4661.2","0.11","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H66 N2 O4 Sn -","- C54 H66 N2 O4 Sn -","- C216 H264 N8 O16 Sn4 -","4","1","","Ryan, Aidan; Delattre, Hugo; Kociok-Köhn, Gabriele; Johnson, Andrew L.","Synthesis and characterization of Sn(II) complexes supported by amino bis-phenoxide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13632","13641","10.1039/d5dt01442e","","x-ray","1.54184","CuKα","","0.0353","0.0342","","","0.0944","0.0955","","","","","","1.07","","","","has coordinates","302647","2025-10-06","09:26:39",""
"7719260","14.5961","0.0004","14.66","0.0005","20.1553","0.0005","72.735","0.002","83.418","0.002","88.995","0.002","4090.7","0.2","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C87 H108 N4 O8 Sn4 -","- C87 H108 N4 O8 Sn4 -","- C174 H216 N8 O16 Sn8 -","2","1","","Ryan, Aidan; Delattre, Hugo; Kociok-Köhn, Gabriele; Johnson, Andrew L.","Synthesis and characterization of Sn(II) complexes supported by amino bis-phenoxide ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13632","13641","10.1039/d5dt01442e","","x-ray","0.71073","MoKα","","0.0535","0.0368","","","0.0683","0.0755","","","","","","1.026","","","","has coordinates","302647","2025-10-06","09:26:39",""
"7719261","11.4601","0.0004","6.9335","0.0002","19.5943","0.0008","90","","101.219","0.002","90","","1527.18","0.09","172","2","172","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba3 Se7 Sn2 -","- Ba2.9999 Se7 Sn2 -","- Ba11.9996 Se28 Sn8 -","4","1","","Swati, ?; Ray, Akshay K.; Yadav, Sweta; Ramesh, Mamindla; Barman, Sayani; Deepa, Melepurath; Niranjan, Manish K.; Prakash, Jai","Two ternary chalcostannates Ba<sub>3</sub>Sn<sub>2</sub><i>Q</i><sub>7</sub> (<i>Q</i> = S and Se): syntheses, crystal structures, and photovoltaic studies.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12890","12901","10.1039/d5dt01399b","","","0.71073","MoKα","","0.0502","0.0292","","","0.0512","0.0563","","","","","","1.014","","","","has coordinates","302682","2025-10-06","09:46:28",""
"7719262","11.4599","0.0003","6.9268","0.0002","19.6066","0.0006","90","","101.197","0.001","90","","1526.76","0.08","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba3 Se7 Sn2 -","- Ba3 Se7 Sn2 -","- Ba12 Se28 Sn8 -","4","1","","Swati, ?; Ray, Akshay K.; Yadav, Sweta; Ramesh, Mamindla; Barman, Sayani; Deepa, Melepurath; Niranjan, Manish K.; Prakash, Jai","Two ternary chalcostannates Ba<sub>3</sub>Sn<sub>2</sub><i>Q</i><sub>7</sub> (<i>Q</i> = S and Se): syntheses, crystal structures, and photovoltaic studies.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12890","12901","10.1039/d5dt01399b","","","0.71073","MoKα","","0.0463","0.0296","","","0.052","0.0559","","","","","","1.031","","","","has coordinates","302682","2025-10-06","09:46:28",""
"7719263","11.4565","0.0006","6.9334","0.0004","19.5875","0.0011","90","","101.159","0.002","90","","1526.47","0.15","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba3 Se7 Sn2 -","- Ba2.9999 Se7 Sn2 -","- Ba11.9996 Se28 Sn8 -","4","1","","Swati, ?; Ray, Akshay K.; Yadav, Sweta; Ramesh, Mamindla; Barman, Sayani; Deepa, Melepurath; Niranjan, Manish K.; Prakash, Jai","Two ternary chalcostannates Ba<sub>3</sub>Sn<sub>2</sub><i>Q</i><sub>7</sub> (<i>Q</i> = S and Se): syntheses, crystal structures, and photovoltaic studies.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12890","12901","10.1039/d5dt01399b","","","0.71073","MoKα","","0.0548","0.031","","","0.0508","0.0574","","","","","","1.08","","","","has coordinates","302682","2025-10-06","09:46:28",""
"7719264","12.85337","0.00011","16.76827","0.00012","20.35111","0.00016","90","","105.024","0.0008","90","","4236.32","0.06","104","2","104","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C86 H90 Dy2 N8 O22 Zn2 -","- C86 H90 Dy2 N8 O22 Zn2 -","- C172 H180 Dy4 N16 O44 Zn4 -","2","1","","Liu, Cai-Ming; Hao, Xiang; Zhang, Yi-Quan","Homochiral Dy<sub>2</sub>Zn<sub>2</sub> zero-field single-molecule magnets derived from (<i>R</i>)/(<i>S</i>)-2-methoxy-2-phenylacetic acids.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13522","13528","10.1039/d5dt01609f","","x-ray","1.54184","CuKα","","0.0285","0.0281","","","0.0751","0.0754","","","","","","1.021","","","","has coordinates","302638","2025-10-06","09:22:40",""
"7719265","12.9001","0.00011","16.8172","0.00012","20.4727","0.00016","90","","105.6","0.0008","90","","4277.81","0.06","170","0.1","170","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C86 H90 Dy2 N8 O22 Zn2 -","- C86 H90 Dy2 N8 O22 Zn2 -","- C172 H180 Dy4 N16 O44 Zn4 -","2","1","","Liu, Cai-Ming; Hao, Xiang; Zhang, Yi-Quan","Homochiral Dy<sub>2</sub>Zn<sub>2</sub> zero-field single-molecule magnets derived from (<i>R</i>)/(<i>S</i>)-2-methoxy-2-phenylacetic acids.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13522","13528","10.1039/d5dt01609f","","x-ray","1.54184","CuKα","","0.0408","0.0353","","","0.086","0.0912","","","","","","1.009","","","","has coordinates","302638","2025-10-06","09:22:41",""
"7719266","15.9281","0.0004","11.7464","0.0002","17.5839","0.0004","90","","95.001","0.002","90","","3277.39","0.12","150.05","0.1","150.05","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 Fe N2 O7 -","- C40 H28 Fe N2 O7 -","- C160 H112 Fe4 N8 O28 -","4","1","","Gounon, Clémence; Quintil, Gaëtan; Pécaut, Jacques; Clémancey, Martin; Bjornsson, Ragnar; Quintard, Adrien; Kochem, Amélie","Merging cyclopentadienone tuning and CO to isonitrile substitution to develop photo-activated iron cyclopentadienone catalysts.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14111","14122","10.1039/d5dt01184a","","x-ray","0.71073","MoKα","","0.0991","0.0588","","","0.1255","0.1442","","","","","","1.028","","","","has coordinates","302608","2025-10-06","09:07:07",""
"7719267","12.1577","0.0001","10.3215","0.0001","12.2865","0.0001","90","","111.408","0.001","90","","1435.4","0.02","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Mo N4 O6 -","- C12 H12 Mo N4 O6 -","- C48 H48 Mo4 N16 O24 -","4","1","","Nafisa, ?; Mahiya, Kuldeep; Rana, Lata","Hydrazone-based dioxidomolybdenum(VI) complexes: catalytic oxidation of omeprazole sulfide.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12919","12932","10.1039/d5dt01503k","","x-ray","1.54184","CuKα","","0.0213","0.021","","","0.0572","0.0575","","","","","","1.069","","","","has coordinates","302679","2025-10-06","09:44:23",""
"7719268","8.3585","0.0001","11.7026","0.0001","15.2508","0.0001","90","","90","","90","","1491.78","0.02","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Mo N4 O6 -","- C13 H12 Mo N4 O6 -","- C52 H48 Mo4 N16 O24 -","4","1","","Nafisa, ?; Mahiya, Kuldeep; Rana, Lata","Hydrazone-based dioxidomolybdenum(VI) complexes: catalytic oxidation of omeprazole sulfide.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12919","12932","10.1039/d5dt01503k","","x-ray","1.54184","CuKα","","0.0236","0.0229","","","0.0602","0.0607","","","","","","1.056","","","","has coordinates","302679","2025-10-06","09:44:24",""
"7719269","7.5485","0.0002","10.8042","0.0001","17.3072","0.0003","90","","90.897","0.002","90","","1411.32","0.05","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Mo N4 O5 -","- C13 H12 Mo N4 O5 -","- C52 H48 Mo4 N16 O20 -","4","1","","Nafisa, ?; Mahiya, Kuldeep; Rana, Lata","Hydrazone-based dioxidomolybdenum(VI) complexes: catalytic oxidation of omeprazole sulfide.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12919","12932","10.1039/d5dt01503k","","x-ray","1.54184","CuKα","","0.036","0.0319","","","0.0888","0.0917","","","","","","1.031","","","","has coordinates","302679","2025-10-06","09:44:24",""
"7719270","6.83307","0.00004","24.9992","0.00013","14.2053","0.00008","90","","100.135","0.0006","90","","2388.7","0.02","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 Mo N4 O5 -","- C21 H28 Mo N4 O5 -","- C84 H112 Mo4 N16 O20 -","4","1","","Nafisa, ?; Mahiya, Kuldeep; Rana, Lata","Hydrazone-based dioxidomolybdenum(VI) complexes: catalytic oxidation of omeprazole sulfide.","Dalton transactions (Cambridge, England : 2003)","2025","54","34","12919","12932","10.1039/d5dt01503k","","x-ray","1.54184","CuKα","","0.0263","0.0247","","","0.0667","0.0678","","","","","","1.035","","","","has coordinates","302679","2025-10-06","09:44:24",""
"7719271","17.336","0.002","9.4838","0.0008","22.107","0.002","90","","109.927","0.008","90","","3417","0.6","110","","110.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H35 Cl N2 P2 Zn -","- C41 H35 Cl N2 P2 Zn -","- C164 H140 Cl4 N8 P8 Zn4 -","4","1","","Kebernik, Steven; Krätschmer, Frederic; Sun, Xiaofei; Roesky, Peter W.","Luminescent ionic heterobimetallic diphosphine-β-diketiminate complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13192","13199","10.1039/d5dt00977d","","","0.71073","MoKα","","0.1158","0.0665","","","0.1619","0.2174","","","","","","1.069","","","","has coordinates","302659","2025-10-06","09:33:19",""
"7719272","40.8223","0.0009","17.4125","0.0004","14.3161","0.0003","90","","90","","90","","10176.1","0.4","100","","100","","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C104 H108 Au2 Cu2 F6 N6 O10 P4 S2 -","- C88 H76 Au2 Cu2 F6 N6 O6 P4 S2 -","- C352 H304 Au8 Cu8 F24 N24 O24 P16 S8 -","4","0.5","","Kebernik, Steven; Krätschmer, Frederic; Sun, Xiaofei; Roesky, Peter W.","Luminescent ionic heterobimetallic diphosphine-β-diketiminate complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13192","13199","10.1039/d5dt00977d","","x-ray","0.71073","MoKα","","0.0696","0.0488","","","0.1243","0.1345","","","","","","1.051","","","","has coordinates,has disorder","302659","2025-10-06","09:33:32",""
"7719273","12.6192","0.0006","13.7019","0.0006","15.3936","0.0007","107.736","0.003","96.335","0.004","110.267","0.004","2307.8","0.2","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C47 H47 Cl Cu F6 N2 O1.5 P3 Zn -","- C47 H47 Cl Cu F6 N2 O1.5 P3 Zn -","- C94 H94 Cl2 Cu2 F12 N4 O3 P6 Zn2 -","2","1","","Kebernik, Steven; Krätschmer, Frederic; Sun, Xiaofei; Roesky, Peter W.","Luminescent ionic heterobimetallic diphosphine-β-diketiminate complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13192","13199","10.1039/d5dt00977d","","x-ray","0.71073","MoKα","","0.0513","0.0424","","","0.1132","0.1181","","","","","","1.015","","","","has coordinates,has disorder","302659","2025-10-06","09:33:42",""
"7719274","12.3341","0.0007","14.1447","0.0009","18.6109","0.0013","91.087","0.005","94.89","0.005","100.86","0.005","3175.1","0.4","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C57 H67 Ag Cl F6 N2 O4 P2 Sb Zn -","- C45 H43 Ag Cl F6 N2 O P2 Sb Zn -","- C90 H86 Ag2 Cl2 F12 N4 O2 P4 Sb2 Zn2 -","2","1","","Kebernik, Steven; Krätschmer, Frederic; Sun, Xiaofei; Roesky, Peter W.","Luminescent ionic heterobimetallic diphosphine-β-diketiminate complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13192","13199","10.1039/d5dt00977d","","","0.71073","MoKα","","0.1222","0.0918","","","0.2485","0.2746","","","","","","0.994","","","","has coordinates,has disorder","302659","2025-10-06","09:33:56",""
"7719275","12.667","0.001","14.0572","0.001","15.3543","0.0011","108.618","0.005","94.39","0.006","109.761","0.005","2385.6","0.3","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C47 H47 Au Cl F6 N2 O1.5 P2 Sb Zn -","- C47 H47 Au Cl F6 N2 O1.5 P2 Sb Zn -","- C94 H94 Au2 Cl2 F12 N4 O3 P4 Sb2 Zn2 -","2","1","","Kebernik, Steven; Krätschmer, Frederic; Sun, Xiaofei; Roesky, Peter W.","Luminescent ionic heterobimetallic diphosphine-β-diketiminate complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13192","13199","10.1039/d5dt00977d","","x-ray","0.71073","MoKα","","0.0416","0.0277","","","0.0603","0.0627","","","","","","0.963","","","","has coordinates,has disorder","302659","2025-10-06","09:34:05",""
"7719276","23.4611","0.0008","12.3476","0.0003","18.8671","0.0006","90","","115.208","0.001","90","","4945.1","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H56 N4 O8 P2 Pt S2 -","- C54 H56 N4 O8 P2 Pt S2 -","- C216 H224 N16 O32 P8 Pt4 S8 -","4","0.5","","Sawamura, Ryota; Horii, Satoshi; Tamura, Kousaku; Tsuchiya, Satoshi; Iki, Nobuhiko","Contrasting effects of ethylene and propylene linkers on the kinetic stability of water-soluble near-infrared-absorbing diradical-Pt<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13598","13608","10.1039/d5dt01798j","","x-ray","0.71073","MoKα","","0.0179","0.0175","","","0.0426","0.0432","","","","","","1.076","","","","has coordinates","302653","2025-10-06","09:29:26",""
"7719277","12.9759","0.0004","13.0258","0.0004","18.4137","0.0006","70.647","0.001","70.015","0.001","64.798","0.001","2582.49","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H60 N4 O9 P2 Pt S2 -","- C55 H60 N4 O9 P2 Pt S2 -","- C110 H120 N8 O18 P4 Pt2 S4 -","2","1","","Sawamura, Ryota; Horii, Satoshi; Tamura, Kousaku; Tsuchiya, Satoshi; Iki, Nobuhiko","Contrasting effects of ethylene and propylene linkers on the kinetic stability of water-soluble near-infrared-absorbing diradical-Pt<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13598","13608","10.1039/d5dt01798j","","x-ray","0.71073","MoKα","","0.0478","0.0372","","","0.1148","0.1211","","","","","","1.168","","","","has coordinates","302653","2025-10-06","09:29:36",""
"7719278","9.2102","0.0003","5.5759","0.0002","30.9154","0.0009","90","","92.515","0.003","90","","1586.14","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Cu N8 -","- C15 H12 Cu N8 -","- C60 H48 Cu4 N32 -","4","1","","Fotopoulou, Evangelia-Spyridoula; Panagiotou, Nikos; Tasiopoulos, Anastasios J.; Turnbull, Mark M.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Structural diversities and magnetic properties of azido- and dicyanamido-bridged coordination polymers with 4,5-diphenylimidazole as a terminal ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14013","14024","10.1039/d5dt01389e","","","1.54184","CuKα","","0.0373","0.0306","","","0.079","0.0832","","","","","","1.033","","","","has coordinates","302609","2025-10-06","09:07:19",""
"7719279","17.066","0.0007","12.7219","0.0004","13.6879","0.0006","90","","90","","90","","2971.8","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H27 Cu N7 O2 -","- C34 H27 Cu N7 O2 -","- C136 H108 Cu4 N28 O8 -","4","0.5","","Fotopoulou, Evangelia-Spyridoula; Panagiotou, Nikos; Tasiopoulos, Anastasios J.; Turnbull, Mark M.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Structural diversities and magnetic properties of azido- and dicyanamido-bridged coordination polymers with 4,5-diphenylimidazole as a terminal ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14013","14024","10.1039/d5dt01389e","","","0.71073","MoKα","","0.0719","0.0666","","","0.1548","0.1574","","","","","","1.231","","","","has coordinates,has disorder","302609","2025-10-06","09:07:29",""
"7719280","7.74","0.0002","11.7233","0.0003","23.851","0.0005","90","","94.612","0.002","90","","2157.19","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cu N8 O -","- C22 H18 Cu N8 O -","- C88 H72 Cu4 N32 O4 -","4","1","","Fotopoulou, Evangelia-Spyridoula; Panagiotou, Nikos; Tasiopoulos, Anastasios J.; Turnbull, Mark M.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Structural diversities and magnetic properties of azido- and dicyanamido-bridged coordination polymers with 4,5-diphenylimidazole as a terminal ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14013","14024","10.1039/d5dt01389e","","","1.54184","CuKα","","0.0366","0.0308","","","0.0792","0.0834","","","","","","1.026","","","","has coordinates","302609","2025-10-06","09:07:30",""
"7719281","17.54","0.09","6.77","0.1","12.74","0.15","90","","90","","90","","1513","3","175","2","175","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H5 Al N O5 -","- C8 H Al N O5 -","- C32 H4 Al4 N4 O20 -","4","0.25","","Evangelou, Dimitrios A.; Makri, Eleni C.; Pliatsios, Nikolaos; Vamvasakis, Ioannis; Buchsteiner, Emilia; Oikonomopoulos, Panagiotis; Armatas, Gerasimos S.; Papaefstathiou, Giannis S.; Lazarides, Theodore; Manos, Manolis J.","Ultramicroporous Al(III) MOFs with selective CO<sub>2</sub> adsorption, acid resistance, and efficient Cr(VI) sorption properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13658","13671","10.1039/d5dt01717c","","","0.0251","electron","","0.2564","0.2123","","","0.4827","0.5059","","","","","","1.605","","","","has coordinates","302644","2025-10-06","09:24:41",""
"7719282","8.2811","0.0009","9.1856","0.0009","9.2652","0.0008","84.714","0.008","78.606","0.009","70.177","0.009","649.7","0.12","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 Fe N6 O4 S2 -","- C8 H11 Fe N6 O4 S2 -","- C16 H22 Fe2 N12 O8 S4 -","2","1","","Blagov, Maxim A.; Lobach, Anatoly S.; Zorina, Leokadiya V.; Simonov, Sergey V.; Zakharov, Konstantin V.; Vasiliev, Alexander N.; Spitsyna, Nataliya G.","The magneto-structural correlations of ferric and ferrous neutral complexes with the pyruvic acid thiosemicarbazone ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14427","14439","10.1039/d5dt01623a","","x-ray","0.71073","MoKα","","0.1085","0.0627","","","0.1262","0.1503","","","","","","1.006","","","","has coordinates","302684","2025-10-06","09:47:16",""
"7719283","8.4503","0.0007","9.5567","0.0008","9.2738","0.0008","86.344","0.007","80.639","0.007","70.599","0.008","696.95","0.11","295","1","295","1","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 Fe N6 O4 S2 -","- C8 H11 Fe N6 O4 S2 -","- C16 H22 Fe2 N12 O8 S4 -","2","1","","Blagov, Maxim A.; Lobach, Anatoly S.; Zorina, Leokadiya V.; Simonov, Sergey V.; Zakharov, Konstantin V.; Vasiliev, Alexander N.; Spitsyna, Nataliya G.","The magneto-structural correlations of ferric and ferrous neutral complexes with the pyruvic acid thiosemicarbazone ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14427","14439","10.1039/d5dt01623a","","x-ray","0.71073","MoKα","","0.0843","0.0605","","","0.1096","0.1221","","","","","","1.156","","","","has coordinates","302684","2025-10-06","09:47:17",""
"7719284","9.5246","0.0005","12.705","0.0008","12.0492","0.0007","90","","96.761","0.006","90","","1447.93","0.15","120","1","120","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C8 H12 Fe N6 O4 S2 -","- C8 H12 Fe N6 O4 S2 -","- C32 H48 Fe4 N24 O16 S8 -","4","0.5","","Blagov, Maxim A.; Lobach, Anatoly S.; Zorina, Leokadiya V.; Simonov, Sergey V.; Zakharov, Konstantin V.; Vasiliev, Alexander N.; Spitsyna, Nataliya G.","The magneto-structural correlations of ferric and ferrous neutral complexes with the pyruvic acid thiosemicarbazone ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14427","14439","10.1039/d5dt01623a","","x-ray","0.71073","MoKα","","0.0459","0.0353","","","0.0773","0.0826","","","","","","1.008","","","","has coordinates","302684","2025-10-06","09:47:17",""
"7719285","8.9729","0.0006","5.6425","0.0003","16.5123","0.0008","90","","108.746","0.003","90","","791.66","0.08","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","CdTeOCl","","- Cd5 Cl2 O12 Te4 -","- Cd5 Cl2 O12 Te4 -","- Cd10 Cl4 O24 Te8 -","2","0.5","","Iqbal, Maqsood; Zhou, Jiazheng; Wang, Hongshan; Lu, Juanjuan; Pan, Shilie; Li, Junjie","Cd<sub>5</sub>Te<sub>4</sub>O<sub>12</sub>X<sub>2</sub> (X = Cl, Br, I): a new oxyhalide family with [CdO<sub>4</sub>X] mixed anionic units and adjustable optical properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14407","14414","10.1039/d5dt01473e","","","0.71073","MoKα","","0.0306","0.0244","","","0.0505","0.0525","","","","","","1.142","","","","has coordinates","302685","2025-10-06","09:47:28",""
"7719286","9.3088","0.0009","5.6311","0.0006","16.5691","0.0014","90","","107.599","0.006","90","","827.88","0.14","298","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Br2 Cd5 O12 Te4 -","- Br2 Cd5 O12 Te4 -","- Br4 Cd10 O24 Te8 -","2","0.5","","Iqbal, Maqsood; Zhou, Jiazheng; Wang, Hongshan; Lu, Juanjuan; Pan, Shilie; Li, Junjie","Cd<sub>5</sub>Te<sub>4</sub>O<sub>12</sub>X<sub>2</sub> (X = Cl, Br, I): a new oxyhalide family with [CdO<sub>4</sub>X] mixed anionic units and adjustable optical properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14407","14414","10.1039/d5dt01473e","","","0.71073","MoKα","","0.0467","0.0376","","","0.0758","0.0829","","","","","","1.125","","","","has coordinates","302685","2025-10-06","09:47:28",""
"7719287","9.9105","0.0009","5.6265","0.0005","16.5924","0.0014","90","","105.598","0.003","90","","891.14","0.14","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cd5 I2 O12 Te4 -","- Cd5 I2 O12 Te4 -","- Cd10 I4 O24 Te8 -","2","0.5","","Iqbal, Maqsood; Zhou, Jiazheng; Wang, Hongshan; Lu, Juanjuan; Pan, Shilie; Li, Junjie","Cd<sub>5</sub>Te<sub>4</sub>O<sub>12</sub>X<sub>2</sub> (X = Cl, Br, I): a new oxyhalide family with [CdO<sub>4</sub>X] mixed anionic units and adjustable optical properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14407","14414","10.1039/d5dt01473e","","","0.71073","MoKα","","0.0386","0.0336","","","0.064","0.0674","","","","","","1.123","","","","has coordinates","302685","2025-10-06","09:47:28",""
"7719288","8.7216","0.0002","8.7216","0.0002","14.1546","0.0006","90","","90","","90","","1076.69","0.06","275","1","275","1","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Ba Cl Rb2 S4 Ta -","- Ba Cl Rb2 S4 Ta -","- Ba4 Cl4 Rb8 S16 Ta4 -","4","0.125","","Ie, Thomas S.; Nathan, Siddhartha S.; Rondinelli, James M.; Kanatzidis, Mercouri G.","Mixed-anion chalcogenide-halide semiconductors A<sub>2</sub>BaTaS<sub>4</sub>Cl (A = K, Rb, Cs) and K<sub>2</sub>BaNbS<sub>4</sub>Cl.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13588","13597","10.1039/d5dt01676b","","x-ray","0.71073","MoKα","","0.0184","0.0156","","","0.031","0.0315","","","","","","1.112","","","","has coordinates","302646","2025-10-06","09:25:57",""
"7719289","9.194","0.0002","7.0377","0.0001","12.5107","0.0002","90","","90","","90","","809.5","0.02","295.89","0.13","295.89","0.13","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba K S4 Ta -","- Ba K S4 Ta -","- Ba4 K4 S16 Ta4 -","4","0.5","","Ie, Thomas S.; Nathan, Siddhartha S.; Rondinelli, James M.; Kanatzidis, Mercouri G.","Mixed-anion chalcogenide-halide semiconductors A<sub>2</sub>BaTaS<sub>4</sub>Cl (A = K, Rb, Cs) and K<sub>2</sub>BaNbS<sub>4</sub>Cl.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13588","13597","10.1039/d5dt01676b","","x-ray","0.71073","MoKα","","0.0208","0.0192","","","0.0346","0.035","","","","","","1.125","","","","has coordinates","302646","2025-10-06","09:25:59",""
"7719290","9.5487","0.0003","7.1459","0.0002","12.4789","0.0004","90","","90","","90","","851.49","0.05","282.4","0.9","282.4","0.9","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Cs S4 Ta -","- Ba Cs S4 Ta -","- Ba4 Cs4 S16 Ta4 -","4","0.5","","Ie, Thomas S.; Nathan, Siddhartha S.; Rondinelli, James M.; Kanatzidis, Mercouri G.","Mixed-anion chalcogenide-halide semiconductors A<sub>2</sub>BaTaS<sub>4</sub>Cl (A = K, Rb, Cs) and K<sub>2</sub>BaNbS<sub>4</sub>Cl.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13588","13597","10.1039/d5dt01676b","","x-ray","0.71073","MoKα","","0.0266","0.0228","","","0.044","0.0453","","","","","","1.051","","","","has coordinates","302646","2025-10-06","09:25:59",""
"7719291","8.348","0.0002","8.348","0.0002","14.1063","0.0004","90","","90","","90","","983.06","0.04","297.15","0.1","297.15","0.1","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Ba Cl K2 S4 Ta -","- Ba Cl K2 S4 Ta -","- Ba4 Cl4 K8 S16 Ta4 -","4","0.125","","Ie, Thomas S.; Nathan, Siddhartha S.; Rondinelli, James M.; Kanatzidis, Mercouri G.","Mixed-anion chalcogenide-halide semiconductors A<sub>2</sub>BaTaS<sub>4</sub>Cl (A = K, Rb, Cs) and K<sub>2</sub>BaNbS<sub>4</sub>Cl.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13588","13597","10.1039/d5dt01676b","","x-ray","0.71073","MoKα","","0.0204","0.0177","","","0.0483","0.0495","","","","","","1.144","","","","has coordinates","302646","2025-10-06","09:25:59",""
"7719292","9.349","0.0002","7.0696","0.0001","12.4787","0.0003","90","","90","","90","","824.76","0.03","296.06","0.19","296.06","0.19","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Rb S4 Ta -","- Ba Rb S4 Ta -","- Ba4 Rb4 S16 Ta4 -","4","0.5","","Ie, Thomas S.; Nathan, Siddhartha S.; Rondinelli, James M.; Kanatzidis, Mercouri G.","Mixed-anion chalcogenide-halide semiconductors A<sub>2</sub>BaTaS<sub>4</sub>Cl (A = K, Rb, Cs) and K<sub>2</sub>BaNbS<sub>4</sub>Cl.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13588","13597","10.1039/d5dt01676b","","x-ray","0.71073","MoKα","","0.0182","0.0153","","","0.0304","0.031","","","","","","1.054","","","","has coordinates","302646","2025-10-06","09:25:59",""
"7719293","8.38","0.0002","8.38","0.0002","14.1605","0.0004","90","","90","","90","","994.41","0.04","278.5","0.7","278.5","0.7","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Ba Cl K2 Nb S4 -","- Ba Cl K2 Nb S4 -","- Ba4 Cl4 K8 Nb4 S16 -","4","0.125","","Ie, Thomas S.; Nathan, Siddhartha S.; Rondinelli, James M.; Kanatzidis, Mercouri G.","Mixed-anion chalcogenide-halide semiconductors A<sub>2</sub>BaTaS<sub>4</sub>Cl (A = K, Rb, Cs) and K<sub>2</sub>BaNbS<sub>4</sub>Cl.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13588","13597","10.1039/d5dt01676b","","x-ray","0.71073","MoKα","","0.0155","0.0139","","","0.0306","0.0311","","","","","","1.152","","","","has coordinates,has disorder","302646","2025-10-06","09:25:59",""
"7719294","12.7216","0.0002","25.4311","0.0004","14.1934","0.0003","90","","90","","90","","4591.91","0.14","101","2","101","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- Ba Cl Cs2 S4 Ta -","- Ba1.00003 Cl Cs1.99998 S4 Ta -","- Ba16.0004 Cl16 Cs31.9996 S64 Ta16 -","16","1","","Ie, Thomas S.; Nathan, Siddhartha S.; Rondinelli, James M.; Kanatzidis, Mercouri G.","Mixed-anion chalcogenide-halide semiconductors A<sub>2</sub>BaTaS<sub>4</sub>Cl (A = K, Rb, Cs) and K<sub>2</sub>BaNbS<sub>4</sub>Cl.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13588","13597","10.1039/d5dt01676b","","x-ray","0.71073","MoKα","","0.0292","0.0229","","","0.0585","0.0611","","","","","","1.047","","","","has coordinates","302646","2025-10-06","09:25:59",""
"7719295","15.041","0.013","18.761","0.014","8.885","0.008","90","","90","","90","","2507","4","291","2","291","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16 H24 Br F4 Mn O3 Si4 -","- C16 H24 Br F4 Mn O3 Si4 -","- C64 H96 Br4 F16 Mn4 O12 Si16 -","4","0.5","","Sünkel, Karlheinz; Bernhartzeder, Stephanie; Schubert, Susanna","Synthesis and characterization of π cyclopentadienyl complexes of manganese and iron with one to five fluorosilyl substituents. Crystal and molecular structures of [Mn(C<sub>5</sub>Br{SiMe<sub>2</sub>F}<sub>4</sub>)(CO)<sub>3</sub>] and [Mn(C<sub>5</sub>{SiMe<sub>2</sub>F}<sub>5</sub>)(CO)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13689","13702","10.1039/d5dt01746g","","","0.71073","MoKα","","0.1215","0.0501","","","0.0832","0.1026","","","","","","0.979","","","","has coordinates,has disorder","302639","2025-10-06","09:22:56",""
"7719296","19.424","0.008","10.814","0.004","13.273","0.005","90","","90","","90","","2788","1.9","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H30 F5 Mn O3 Si5 -","- C18 H30 F5 Mn O3 Si5 -","- C72 H120 F20 Mn4 O12 Si20 -","4","1","","Sünkel, Karlheinz; Bernhartzeder, Stephanie; Schubert, Susanna","Synthesis and characterization of π cyclopentadienyl complexes of manganese and iron with one to five fluorosilyl substituents. Crystal and molecular structures of [Mn(C<sub>5</sub>Br{SiMe<sub>2</sub>F}<sub>4</sub>)(CO)<sub>3</sub>] and [Mn(C<sub>5</sub>{SiMe<sub>2</sub>F}<sub>5</sub>)(CO)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13689","13702","10.1039/d5dt01746g","","","0.71073","MoKα","","0.0357","0.0287","","","0.0651","0.068","","","","","","1.052","","","","has coordinates,has disorder","302639","2025-10-06","09:22:56",""
"7719297","34.298","0.002","7.6309","0.0005","22.2564","0.0014","90","","122.523","0.002","90","","4911.5","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H24 Cl2 N2 Ni -","- C30.5 H24 Cl2 N2 Ni -","- C244 H192 Cl16 N16 Ni8 -","8","1","","Niazi, Maryam; Maisuls, Iván; Strassert, Cristian A.; González-Herrero, Pablo; Klein, Axel","A tight binding pocket in photoluminescent N^C^N cyclometalated Pt(II), Pd(II), and Ni(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14025","14039","10.1039/d5dt01385b","","","0.71073","MoKα","","0.045","0.0386","","","0.0972","0.1032","","","","","","1.083","","","","has coordinates","302604","2025-10-06","09:05:02",""
"7719298","8.9694","0.0004","10.2495","0.0004","14.5659","0.0006","95.205","0.002","107.44","0.002","112.952","0.002","1143.06","0.09","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 Cl N2 Pd -","- C30 H23 Cl N2 Pd -","- C60 H46 Cl2 N4 Pd2 -","2","1","","Niazi, Maryam; Maisuls, Iván; Strassert, Cristian A.; González-Herrero, Pablo; Klein, Axel","A tight binding pocket in photoluminescent N^C^N cyclometalated Pt(II), Pd(II), and Ni(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14025","14039","10.1039/d5dt01385b","","","0.71073","MoKα","","0.0293","0.026","","","0.0562","0.0579","","","","","","1.068","","","","has coordinates","302604","2025-10-06","09:05:03",""
"7719299","8.9466","0.0004","10.2921","0.0005","14.5835","0.0007","95.206","0.002","107.337","0.002","113.192","0.002","1144.63","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 Cl N2 Pt -","- C30 H23 Cl N2 Pt -","- C60 H46 Cl2 N4 Pt2 -","2","1","","Niazi, Maryam; Maisuls, Iván; Strassert, Cristian A.; González-Herrero, Pablo; Klein, Axel","A tight binding pocket in photoluminescent N^C^N cyclometalated Pt(II), Pd(II), and Ni(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14025","14039","10.1039/d5dt01385b","","","0.71073","MoKα","","0.0237","0.0214","","","0.0401","0.0414","","","","","","1.084","","","","has coordinates","302604","2025-10-06","09:05:03",""
"7719300","26.7307","0.0011","26.7307","0.0011","55.136","0.003","90","","90","","120","","34118","3","193","","193","","","","","","","","","3","R -3 :H","-R 3","148","","","","- F2 Ge14 O32 -","- F2 Ge14 O32 -","- F36 Ge252 O576 -","18","1","","Li, Hao; Xu, Yanan; Zhang, Shiyue; Gu, Pengliang; Hu, Qing; Zhang, Yu; Wang, Wenkai; Shi, Zhan; Fu, Xinyi; Du, Hongbin","Structure-directing synthesis of two germanate cages featuring odd-member ring windows.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13775","13782","10.1039/d5dt01561h","","x-ray","1.34139","GaKα","","0.1667","0.0903","","","0.2615","0.3135","","","","","","0.917","","","","has coordinates","302645","2025-10-06","09:25:27",""
"7719301","24.0248","0.0006","24.0248","0.0006","35.81","0.0012","90","","90","","90","","20669.2","1","299","","299","","","","","","","","","6","I 4/m","-I 4","87","","","","- C168 H288 F36 Ge84 N68 O176 -","- C168 H288.005 F36 Ge84 N68 O176 -","- C336 H576.01 F72 Ge168 N136 O352 -","2","0.125","","Li, Hao; Xu, Yanan; Zhang, Shiyue; Gu, Pengliang; Hu, Qing; Zhang, Yu; Wang, Wenkai; Shi, Zhan; Fu, Xinyi; Du, Hongbin","Structure-directing synthesis of two germanate cages featuring odd-member ring windows.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13775","13782","10.1039/d5dt01561h","","","1.34139","GaKα","","0.0573","0.0521","","","0.1398","0.143","","","","","","1.061","","","","has coordinates,has disorder","302645","2025-10-06","09:25:27",""
"7719302","8.7901","0.0002","11.2361","0.0002","15.8049","0.0003","92.724","0.002","103.828","0.002","110.816","0.002","1401.64","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 Cl Fe N4 O4 -","- C33 H27 Cl Fe N4 O4 -","- C66 H54 Cl2 Fe2 N8 O8 -","2","1","","Zenno, Hikaru; Hieda, Rui; Nakao, Ryosuke; Sekine, Yoshihiro; Hayami, Shinya","Hidden spin state accessed by light irradiation in an iron(III) high-spin complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13426","13430","10.1039/d5dt01604e","","x-ray","1.54184","CuKα","","0.063","0.0591","","","0.1589","0.1621","","","","","","1.0777","","","","has coordinates,has disorder","302654","2025-10-06","09:29:52",""
"7719303","14.1872","0.0006","14.1872","0.0006","23.9442","0.0012","90","","90","","90","","4819.4","0.4","193","2","193","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C22 H32 B2 F6 N6 Ni -","- C22 H32 B2 F6 N6 Ni -","- C176 H256 B16 F48 N48 Ni8 -","8","1","","Sire, Charline; Garello, Francesca; Lalaoui, Noémie; Saffon-Merceron, Nathalie; Le Poul, Nicolas; Tripier, Raphaël; Tei, Lorenzo; Troadec, Thibault","Trifluoroborate-appended cyclen complexes of paramagnetic transition metals (Ni<sup>2+</sup>, Co<sup>2+</sup>) as fast-relaxing <sup>19</sup>F MRI probes.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13053","13056","10.1039/d5dt01834j","","","0.71073","MoKα","","0.035","0.034","","","0.0875","0.0881","","","","","","1.116","","","","has coordinates","302672","2025-10-06","09:40:51",""
"7719304","17.1182","0.0009","9.0791","0.0005","16.9809","0.0008","90","","90","","90","","2639.1","0.2","193","2","193","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C22 H36 B2 Co F6 N6 O2 -","- C22 H36 B2 Co F6 N6 O2 -","- C88 H144 B8 Co4 F24 N24 O8 -","4","1","","Sire, Charline; Garello, Francesca; Lalaoui, Noémie; Saffon-Merceron, Nathalie; Le Poul, Nicolas; Tripier, Raphaël; Tei, Lorenzo; Troadec, Thibault","Trifluoroborate-appended cyclen complexes of paramagnetic transition metals (Ni<sup>2+</sup>, Co<sup>2+</sup>) as fast-relaxing <sup>19</sup>F MRI probes.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13053","13056","10.1039/d5dt01834j","","","0.71073","MoKα","","0.0223","0.0217","","","0.0573","0.0577","","","","","","1.037","","","","has coordinates,has disorder","302672","2025-10-06","09:40:53",""
"7719305","8.7433","0.0003","12.1709","0.0003","13.4239","0.0004","95.958","0.002","100.87","0.003","104.916","0.002","1338.01","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl2 N3 O11 Ru -","- C22 H26 Cl2 N3 O11 Ru -","- C44 H52 Cl4 N6 O22 Ru2 -","2","1","","Impert, Olga; Czerniecka, Natalia; Balińska, Natalia; Kubiak, Barbara; Kozakiewicz-Piekarz, Anna; Pryshchepa, Oleksandra; Pomastowski, Paweł; Ehlert, Michalina; Witwicki, Maciej; Pateda, Yogeswara Rao; Rakovský, Erik; Katafias, Anna; van Eldik, Rudi","Nanoscale ruthenium(III) complexes with bioactive ligands: structural, colloidal, and dual antimicrobial-cytotoxic investigations.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14304","14321","10.1039/d5dt01857a","","","1.54184","CuKα","","0.042","0.0363","","","0.1004","0.1024","","","","","","1.065","","","","has coordinates","302686","2025-10-06","09:47:43",""
"7719306","32.3494","0.0006","6.9803","0.0001","15.8129","0.0003","90","","126.725","0.003","90","","2861.96","0.14","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 Cl4 N5 O6 Ru -","- C20 H32 Cl4 N5 O6 Ru -","- C80 H128 Cl16 N20 O24 Ru4 -","4","0.5","","Impert, Olga; Czerniecka, Natalia; Balińska, Natalia; Kubiak, Barbara; Kozakiewicz-Piekarz, Anna; Pryshchepa, Oleksandra; Pomastowski, Paweł; Ehlert, Michalina; Witwicki, Maciej; Pateda, Yogeswara Rao; Rakovský, Erik; Katafias, Anna; van Eldik, Rudi","Nanoscale ruthenium(III) complexes with bioactive ligands: structural, colloidal, and dual antimicrobial-cytotoxic investigations.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14304","14321","10.1039/d5dt01857a","","","1.54184","CuKα","","0.021","0.0203","","","0.0557","0.056","","","","","","1.075","","","","has coordinates","302686","2025-10-06","09:47:44",""
"7719307","48.872","0.003","12.4811","0.0006","12.4824","0.0006","90","","103.093","0.002","90","","7416","0.7","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H24 Co N8 -","- C48 H24 Co N8 -","- C384 H192 Co8 N64 -","8","1","","Bhardwaj, Varusha; Singh, Varsha; Ganesan, Vellaichamy; Sankar, Muniappan","2D self-assembly of twisted porphyrins appended on multiwalled carbon nanotubes for the oxygen reduction reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14123","14131","10.1039/d5dt01591j","","","0.71073","MoKα","","0.0429","0.0339","","","0.0832","0.0885","","","","","","1.023","","","","has coordinates","302603","2025-10-06","09:04:34",""
"7719308","9.173","0.0007","8.5365","0.0007","27.741","0.003","90","","99.797","0.003","90","","2140.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ba2.75 Pb1.16 Sb4.09 Se10 -","- Ba2.75 Pb1.151 Sb4.099 Se10 -","- Ba11 Pb4.604 Sb16.396 Se40 -","4","1","","Swati, ?; Jana, Subhendu; Barman, Sayani; Yadav, Sweta; Prakash, Jai","Semiconductor-to-semimetal transition on Te doping in a new semiconducting material Ba<sub>2.75</sub>Pb<sub>1.1</sub>Sb<sub>4.1</sub>Se<sub>10</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13459","13471","10.1039/d5dt01185j","","","0.71073","MoKα","","0.0507","0.0385","","","0.0775","0.0817","","","","","","1.084","","","","has coordinates","302656","2025-10-06","09:30:19",""
"7719309","39.0514","0.0009","15.4788","0.0003","25.5006","0.0006","90","","130.77","","90","","11673.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H83.72 Cu2 I4 N2 O12 -","- C44 H83.717 Cu2 I4 N2 O12 -","- C352 H669.736 Cu16 I32 N16 O96 -","8","1","","Zhang, Rong-Yan; Zhu, Ting; Zhang, Jin; Shao, Dong-Sheng; Ma, Ying-Zhao; Peng, Guo; Ren, Xiao-Ming","A single-component white-light-emitting hybrid copper(I) halide constructed using a supramolecular cation for WLEDs.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14359","14366","10.1039/d5dt01801c","","","0.71073","MoKα","","0.087","0.0521","","","0.1445","0.1638","","","","","","1.044","","","","has coordinates,has disorder","302683","2025-10-06","09:46:59",""
"7719310","7.984","0.002","10.929","0.003","12.11","0.004","69.332","0.003","89.841","0.003","83.298","0.003","981.1","0.5","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C18 H13 Br Cl2 Cu N4 O S -","- C18 H13 Br Cl2 Cu N4 O S -","- C36 H26 Br2 Cl4 Cu2 N8 O2 S2 -","2","1","","Wang, Bishu; Zhong, Huishan; Huo, Jiawen; Wang, Tao; Wu, Fenglin; Du, Kejie; Feng, Tao; Wang, Jinquan","A copper complex with a thiazole-modified tridentate ligand: synthesis, structural characterization, and anticancer activity in B16-F10 melanoma cells.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14079","14092","10.1039/d5dt01235j","","","0.71073","MoKα","","0.0375","0.029","","","0.0728","0.0762","","","","","","1.073","","","","has coordinates","302600","2025-10-06","09:03:14",""
"7719311","10.1769","0.0008","11.2766","0.0008","16.095","0.0012","93.284","0.002","105.88","0.002","113.925","0.002","1593.9","0.2","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H29 Cl N6 P Ru -","- C36 H29 Cl N6 P Ru -","- C72 H58 Cl2 N12 P2 Ru2 -","2","1","","Halder, Supriyo; Naskar, Srijita; Malik, Sampad; Roy, Dipika; Pramanik, Kausikisankar","Synthesis of <i>N</i>-alkylated amines <i>via</i> alcohol dehydrogenation catalyzed by a bis-azo-diamido coordinated ruthenium(III) complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14331","14348","10.1039/d5dt01716e","","","0.71073","MoKα","","0.0314","0.0254","","","0.0592","0.0634","","","","","","1.076","","","","has coordinates","302687","2025-10-06","09:47:57",""
"7719312","45.8572","0.0018","45.8572","0.0018","13.3925","0.0005","90","","90","","120","","24389.8","1.6","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C72 H62.4 Mg O -","- C71 H60 Mg O -","- C1278 H1080 Mg18 O18 -","18","1","","Shephard, Angus C. G.; Bouammali, Amal; Delon, Aymeric; Guo, Zhifang; Chevreux, Sylviane; Niebel, Claude; Dautel, Olivier; Simler, Thomas; Deacon, Glen B.; Junk, Peter C.; Jaroschik, Florian","<i>Ansa</i>-effects in alkaline earth metal octaphenylmetallocenophanes and a derived <i>ansa</i>-ferrocene.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13918","13928","10.1039/d5dt01881a","","x-ray","0.71073","MoKα","","0.17","0.0606","","","0.0987","0.1269","","","","","","0.978","","","","has coordinates","302597","2025-10-06","09:02:01",""
"7719313","11.2111","0.0002","16.1916","0.0002","16.8585","0.0003","90","","104.361","0.002","90","","2964.62","0.09","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76 H76 Ba O4 -","- C76 H76 Ba O4 -","- C152 H152 Ba2 O8 -","2","1","","Shephard, Angus C. G.; Bouammali, Amal; Delon, Aymeric; Guo, Zhifang; Chevreux, Sylviane; Niebel, Claude; Dautel, Olivier; Simler, Thomas; Deacon, Glen B.; Junk, Peter C.; Jaroschik, Florian","<i>Ansa</i>-effects in alkaline earth metal octaphenylmetallocenophanes and a derived <i>ansa</i>-ferrocene.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13918","13928","10.1039/d5dt01881a","","","0.71073","MoKα","","0.0477","0.0354","","","0.0691","0.073","","","","","","1.035","","","","has coordinates,has disorder","302597","2025-10-06","09:02:02",""
"7719314","12.92","0.003","18.59","0.004","13.9","0.003","90","","108.83","0.03","90","","3159.9","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C80 H84 O5 Sr -","- C80 H84 O5 Sr -","- C160 H168 O10 Sr2 -","2","1","","Shephard, Angus C. G.; Bouammali, Amal; Delon, Aymeric; Guo, Zhifang; Chevreux, Sylviane; Niebel, Claude; Dautel, Olivier; Simler, Thomas; Deacon, Glen B.; Junk, Peter C.; Jaroschik, Florian","<i>Ansa</i>-effects in alkaline earth metal octaphenylmetallocenophanes and a derived <i>ansa</i>-ferrocene.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13918","13928","10.1039/d5dt01881a","","","0.71073","Synchrotron","","0.0418","0.0396","","","0.1041","0.1064","","","","","","1.026","","","","has coordinates","302597","2025-10-06","09:02:02",""
"7719315","44.8795","0.0007","44.8795","0.0007","10.3923","0.0002","90","","90","","90","","20931.9","0.6","150","","150","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C69.75 H64.2 Fe O2 -","- C68 H60 Fe O2 -","- C1088 H960 Fe16 O32 -","16","1","","Shephard, Angus C. G.; Bouammali, Amal; Delon, Aymeric; Guo, Zhifang; Chevreux, Sylviane; Niebel, Claude; Dautel, Olivier; Simler, Thomas; Deacon, Glen B.; Junk, Peter C.; Jaroschik, Florian","<i>Ansa</i>-effects in alkaline earth metal octaphenylmetallocenophanes and a derived <i>ansa</i>-ferrocene.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13918","13928","10.1039/d5dt01881a","","x-ray","0.71073","MoKα","","0.0719","0.0418","","","0.1023","0.1111","","","","","","1.081","","","","has coordinates","302597","2025-10-06","09:02:03",""
"7719316","18.1045","0.0016","19.1535","0.0016","15.4277","0.0014","90","","104.586","0.002","90","","5177.4","0.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H72 Br Co Li N6 -","- C54 H72 Br Co Li N6 -","- C216 H288 Br4 Co4 Li4 N24 -","4","1","","Chen, Yu-Hsuan; Chen, Guan-Wen; Lee, Yi-Hui; Liu, Hsin-Kuan; Lin, Chun-Yi","Two-coordinate Co and Ni complexes of a bulky imidazolin-2-iminato ligand and facile synthesis of heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14448","14455","10.1039/d5dt01455g","","","0.71073","MoKα","","0.053","0.0433","","","0.0948","0.099","","","","","","1.02","","","","has coordinates,has disorder","302689","2025-10-06","09:49:16",""
"7719317","22.3891","0.0002","19.6133","0.0001","12.1425","0.0001","90","","90","","90","","5332.06","0.07","100","0.1","100","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H72 Cl2 Co Ge N6 -","- C54 H72 Cl2 Co Ge N6 -","- C216 H288 Cl8 Co4 Ge4 N24 -","4","1","","Chen, Yu-Hsuan; Chen, Guan-Wen; Lee, Yi-Hui; Liu, Hsin-Kuan; Lin, Chun-Yi","Two-coordinate Co and Ni complexes of a bulky imidazolin-2-iminato ligand and facile synthesis of heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14448","14455","10.1039/d5dt01455g","","x-ray","1.54184","CuKα","","0.0656","0.0321","","","0.0816","0.1076","","","","","","1.044","","","","has coordinates","302689","2025-10-06","09:49:27",""
"7719318","14.007","0.0004","14.007","0.0004","30.7341","0.0012","90","","90","","90","","6029.9","0.3","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C54 H72 Cl2 Ge N6 Ni -","- C54 H72 Cl2 Ge N6 Ni -","- C216 H288 Cl8 Ge4 N24 Ni4 -","4","0.5","","Chen, Yu-Hsuan; Chen, Guan-Wen; Lee, Yi-Hui; Liu, Hsin-Kuan; Lin, Chun-Yi","Two-coordinate Co and Ni complexes of a bulky imidazolin-2-iminato ligand and facile synthesis of heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14448","14455","10.1039/d5dt01455g","","","0.71073","MoKα","","0.0448","0.0363","","","0.0903","0.096","","","","","","1.063","","","","has coordinates","302689","2025-10-06","09:49:29",""
"7719319","49.9427","0.0005","15.8154","0.0002","18.8866","0.0002","90","","90","","90","","14917.8","0.3","99.99","0.1","99.99","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C162 H216 Co3 N18 -","- C162 H216 Co3 N18 -","- C648 H864 Co12 N72 -","4","1","","Chen, Yu-Hsuan; Chen, Guan-Wen; Lee, Yi-Hui; Liu, Hsin-Kuan; Lin, Chun-Yi","Two-coordinate Co and Ni complexes of a bulky imidazolin-2-iminato ligand and facile synthesis of heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14448","14455","10.1039/d5dt01455g","","x-ray","1.54184","CuKα","","0.0738","0.0575","","","0.1533","0.1672","","","","","","1.033","","","","has coordinates","302689","2025-10-06","09:49:38",""
"7719320","18.7896","0.0019","15.7367","0.0016","16.5612","0.0017","90","","90","","90","","4896.9","0.9","100.15","","100.15","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C54 H72 N6 Ni -","- C54 H72 N6 Ni -","- C216 H288 N24 Ni4 -","4","0.5","","Chen, Yu-Hsuan; Chen, Guan-Wen; Lee, Yi-Hui; Liu, Hsin-Kuan; Lin, Chun-Yi","Two-coordinate Co and Ni complexes of a bulky imidazolin-2-iminato ligand and facile synthesis of heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14448","14455","10.1039/d5dt01455g","","","0.71073","MoKα","","0.0834","0.0695","","","0.1559","0.1629","","","","","","1.164","","","","has coordinates,has disorder","302689","2025-10-06","09:49:40",""
"7719321","8.4944","0.0004","8.0506","0.0004","18.8869","0.0009","90","","94.578","0.002","90","","1287.46","0.11","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Mo2 O4 S4 -","- C26 H26 Mo2 O4 S4 -","- C52 H52 Mo4 O8 S8 -","2","0.5","","El Rayes, Mary; Cutler, Daniel J.; Watanabe, Lara K.; Stephaniuk, Nadia T.; Hayward, John J.; D'Agostino, Mike; Macdonald, Charles L. B.; Pilkington, Melanie; Rawson, Jeremy M.","Oxidative addition chemistry of bis(4,5-dimethoxybenzo)-1,2,5,6-tetrathiocin with cyclopentadienyl metal carbonyl complexes and the mechanochemical transformation of CpCo(dmobdt) to [CpCo(dmobdt)]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16163","16169","10.1039/d5dt01691f","","","0.71073","MoKα","","0.0157","0.0151","","","0.0406","0.0412","","","","","","1.024","","","","has coordinates","303748","2025-11-29","20:21:26",""
"7719322","6.8958","0.0002","12.3838","0.0004","12.7343","0.0004","114.873","0.001","100.409","0.001","96.453","0.001","948.48","0.05","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Fe2 O4 S2 -","- C20 H18 Fe2 O4 S2 -","- C40 H36 Fe4 O8 S4 -","2","1","","El Rayes, Mary; Cutler, Daniel J.; Watanabe, Lara K.; Stephaniuk, Nadia T.; Hayward, John J.; D'Agostino, Mike; Macdonald, Charles L. B.; Pilkington, Melanie; Rawson, Jeremy M.","Oxidative addition chemistry of bis(4,5-dimethoxybenzo)-1,2,5,6-tetrathiocin with cyclopentadienyl metal carbonyl complexes and the mechanochemical transformation of CpCo(dmobdt) to [CpCo(dmobdt)]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16163","16169","10.1039/d5dt01691f","","","0.71073","MoKα","","0.0232","0.0207","","","0.0521","0.0539","","","","","","1.026","","","","has coordinates","303748","2025-11-29","20:21:28",""
"7719323","9.5225","0.0004","13.8503","0.0005","14.7916","0.0006","69.101","0.001","78.272","0.001","77.078","0.001","1759.94","0.12","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl6 Mo2 O4 S4 -","- C28 H28 Cl6 Mo2 O4 S4 -","- C56 H56 Cl12 Mo4 O8 S8 -","2","1","","El Rayes, Mary; Cutler, Daniel J.; Watanabe, Lara K.; Stephaniuk, Nadia T.; Hayward, John J.; D'Agostino, Mike; Macdonald, Charles L. B.; Pilkington, Melanie; Rawson, Jeremy M.","Oxidative addition chemistry of bis(4,5-dimethoxybenzo)-1,2,5,6-tetrathiocin with cyclopentadienyl metal carbonyl complexes and the mechanochemical transformation of CpCo(dmobdt) to [CpCo(dmobdt)]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16163","16169","10.1039/d5dt01691f","","","0.71073","MoKα","","0.0306","0.0269","","","0.0569","0.06","","","","","","1.053","","","","has coordinates","303748","2025-11-29","20:21:38",""
"7719324","9.0701","0.0004","7.3043","0.0003","39.5242","0.0018","90","","90","","90","","2618.5","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Co O2 S2 -","- C13 H13 Co O2 S2 -","- C104 H104 Co8 O16 S16 -","8","1","","El Rayes, Mary; Cutler, Daniel J.; Watanabe, Lara K.; Stephaniuk, Nadia T.; Hayward, John J.; D'Agostino, Mike; Macdonald, Charles L. B.; Pilkington, Melanie; Rawson, Jeremy M.","Oxidative addition chemistry of bis(4,5-dimethoxybenzo)-1,2,5,6-tetrathiocin with cyclopentadienyl metal carbonyl complexes and the mechanochemical transformation of CpCo(dmobdt) to [CpCo(dmobdt)]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16163","16169","10.1039/d5dt01691f","","","1.54178","CuKα","","0.0722","0.066","","","0.1542","0.1575","","","","","","1.402","","","","has coordinates","303748","2025-11-29","20:21:38",""
"7719325","8.3163","0.0004","7.7394","0.0004","20.2842","0.001","90","","101.737","0.002","90","","1278.26","0.11","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co2 O4 S4 -","- C26 H26 Co2 O4 S4 -","- C52 H52 Co4 O8 S8 -","2","0.5","","El Rayes, Mary; Cutler, Daniel J.; Watanabe, Lara K.; Stephaniuk, Nadia T.; Hayward, John J.; D'Agostino, Mike; Macdonald, Charles L. B.; Pilkington, Melanie; Rawson, Jeremy M.","Oxidative addition chemistry of bis(4,5-dimethoxybenzo)-1,2,5,6-tetrathiocin with cyclopentadienyl metal carbonyl complexes and the mechanochemical transformation of CpCo(dmobdt) to [CpCo(dmobdt)]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16163","16169","10.1039/d5dt01691f","","","0.71073","MoKα","","0.0405","0.0297","","","0.0608","0.063","","","","","","1.074","","","","has coordinates","303748","2025-11-29","20:21:39",""
"7719326","11.9722","0.0012","7.7188","0.0008","14.9861","0.0018","90","","105.628","0.004","90","","1333.7","0.3","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 O4 S4 V2 -","- C26 H26 O4 S4 V2 -","- C52 H52 O8 S8 V4 -","2","0.5","","El Rayes, Mary; Cutler, Daniel J.; Watanabe, Lara K.; Stephaniuk, Nadia T.; Hayward, John J.; D'Agostino, Mike; Macdonald, Charles L. B.; Pilkington, Melanie; Rawson, Jeremy M.","Oxidative addition chemistry of bis(4,5-dimethoxybenzo)-1,2,5,6-tetrathiocin with cyclopentadienyl metal carbonyl complexes and the mechanochemical transformation of CpCo(dmobdt) to [CpCo(dmobdt)]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16163","16169","10.1039/d5dt01691f","","","0.71073","MoKα","","0.0472","0.0298","","","0.0603","0.0687","","","","","","1.053","","","","has coordinates","303748","2025-11-29","20:21:39",""
"7719327","11.7679","0.0003","11.8647","0.0003","14.0768","0.0004","112.279","0.001","113.844","0.001","90.889","0.001","1630.08","0.08","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Mo2 O4 S4 -","- C26 H26 Mo2 O4 S4 -","- C52 H52 Mo4 O8 S8 -","2","1","","El Rayes, Mary; Cutler, Daniel J.; Watanabe, Lara K.; Stephaniuk, Nadia T.; Hayward, John J.; D'Agostino, Mike; Macdonald, Charles L. B.; Pilkington, Melanie; Rawson, Jeremy M.","Oxidative addition chemistry of bis(4,5-dimethoxybenzo)-1,2,5,6-tetrathiocin with cyclopentadienyl metal carbonyl complexes and the mechanochemical transformation of CpCo(dmobdt) to [CpCo(dmobdt)]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16163","16169","10.1039/d5dt01691f","","","0.71073","MoKα","","0.0421","0.0293","","","0.0659","0.0741","","","","","","1.025","","","","has coordinates","303748","2025-11-29","20:21:39",""
"7719328","11.9137","0.0002","18.7121","0.0003","19.423","0.0003","95.922","0.001","93.49","0.001","98.603","0.001","4245.57","0.12","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H54 B4 F16 N12 Pd2 -","- C69 H54 B4 F16 N12 Pd2 -","- C138 H108 B8 F32 N24 Pd4 -","2","1","","Xie, Xiao-Dan; Bai, Qixia; Zhang, Zhe; Wang, Pingshan; Zhang, Qi","Multi-dimensional microenvironment engineering in heteroleptic coordination cages for programmable biomimetic recognition.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13783","13788","10.1039/d5dt01757b","","","1.34139","GaKα","","0.052","0.0471","","","0.1351","0.1388","","","","","","1.03","","","","has coordinates,has disorder","302643","2025-10-06","09:24:30",""
"7719329","27.0908","0.0009","31.4365","0.0012","37.7374","0.0014","90","","105.463","0.002","90","","30975","2","170","","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H63 B4 F16 N11 Pd2 -","- C86 H63 B4 F16 N11 Pd2 -","- C1032 H756 B48 F192 N132 Pd24 -","12","1.5","","Xie, Xiao-Dan; Bai, Qixia; Zhang, Zhe; Wang, Pingshan; Zhang, Qi","Multi-dimensional microenvironment engineering in heteroleptic coordination cages for programmable biomimetic recognition.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13783","13788","10.1039/d5dt01757b","","","1.34139","GaKα","","0.1196","0.0914","","","0.2658","0.2895","","","","","","1.027","","","","has coordinates,has disorder","302643","2025-10-06","09:24:30",""
"7719330","10.9441","0.0006","13.9935","0.0008","15.8444","0.0009","77.772","0.002","75.568","0.002","68.003","0.002","2159.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H84 B4 F16 N16 Pd2 -","- C76 H84 B4 F16 N16 Pd2 -","- C76 H84 B4 F16 N16 Pd2 -","1","0.5","","Tang, Ao; Dai, Wen-Tao; Bai, Qixia; Xie, Xiao-Dan; Zhang, Zhe; Wang, Pingshan; Lu, Wei; Zhang, Qi","Steric engineering of Pd<sup>II</sup>-ligand coordination pathways: hierarchical control from functionally addressable intermediates to supramolecular architectures.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13759","13763","10.1039/d5dt01592h","","","1.54178","CuKα","","0.0664","0.0635","","","0.1778","0.1809","","","","","","1.095","","","","has coordinates,has disorder","302649","2025-10-06","09:27:28",""
"7719331","10.7185","0.0011","29.61","0.003","11.711","0.0013","90","","100.215","0.004","90","","3657.9","0.7","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H70 B4 F16 N10 O3 Pd2 -","- C66 H70 B4 F16 N10 O3 Pd2 -","- C132 H140 B8 F32 N20 O6 Pd4 -","2","0.5","","Tang, Ao; Dai, Wen-Tao; Bai, Qixia; Xie, Xiao-Dan; Zhang, Zhe; Wang, Pingshan; Lu, Wei; Zhang, Qi","Steric engineering of Pd<sup>II</sup>-ligand coordination pathways: hierarchical control from functionally addressable intermediates to supramolecular architectures.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13759","13763","10.1039/d5dt01592h","","","0.71073","MoKα","","0.0663","0.0545","","","0.127","0.1331","","","","","","1.148","","","","has coordinates,has disorder","302649","2025-10-06","09:27:37",""
"7719332","11.9137","0.0002","18.7121","0.0003","19.423","0.0003","95.922","0.001","93.49","0.001","98.603","0.001","4245.57","0.12","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C77 H67 B4 F16 N14 O2 Pd2 -","- C77 H67 B4 F16 N14 O2 Pd2 -","- C154 H134 B8 F32 N28 O4 Pd4 -","2","1","","Tang, Ao; Dai, Wen-Tao; Bai, Qixia; Xie, Xiao-Dan; Zhang, Zhe; Wang, Pingshan; Lu, Wei; Zhang, Qi","Steric engineering of Pd<sup>II</sup>-ligand coordination pathways: hierarchical control from functionally addressable intermediates to supramolecular architectures.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13759","13763","10.1039/d5dt01592h","","","1.3418","GaKα","","0.0711","0.065","","","0.1934","0.1998","","","","","","1.059","","","","has coordinates,has disorder","302649","2025-10-06","09:27:39",""
"7719333","10.9494","0.0014","11.8345","0.0014","27.857","0.004","90","","95.612","0.002","90","","3592.4","0.8","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 Au Cl P -","- C37 H45 Au Cl P -","- C148 H180 Au4 Cl4 P4 -","4","1","","Nasrullah, Ayu Afiqah; Täufer, Tobias; Pospech, Jola; Baráth, Eszter; Hering-Junghans, Christian","FLP-type alkenylation of a phosphafluorene.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15795","15800","10.1039/d5dt01495f","","","0.71073","MoKα","","0.0312","0.0234","","","0.0507","0.0537","","","","","","1.034","","","","has coordinates","303769","2025-11-29","20:40:10",""
"7719334","10.6678","0.0012","14.3394","0.0016","18.239","0.002","78.007","0.003","88.749","0.003","75.17","0.003","2636.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H45 B F18 P -","- C60 H45 B F18 P -","- C120 H90 B2 F36 P2 -","2","1","","Nasrullah, Ayu Afiqah; Täufer, Tobias; Pospech, Jola; Baráth, Eszter; Hering-Junghans, Christian","FLP-type alkenylation of a phosphafluorene.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15795","15800","10.1039/d5dt01495f","","","0.71073","MoKα","","0.0567","0.0461","","","0.12","0.1298","","","","","","1.025","","","","has coordinates,has disorder","303769","2025-11-29","20:40:12",""
"7719335","16.9846","0.0004","12.9496","0.0003","29.3694","0.0007","90","","96.448","0.001","90","","6418.8","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 B P -","- C30 H40 B P -","- C240 H320 B8 P8 -","8","2","","Nasrullah, Ayu Afiqah; Täufer, Tobias; Pospech, Jola; Baráth, Eszter; Hering-Junghans, Christian","FLP-type alkenylation of a phosphafluorene.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15795","15800","10.1039/d5dt01495f","","","1.54178","CuKα","","0.0512","0.0397","","","0.1044","0.1134","","","","","","1.028","","","","has coordinates","303769","2025-11-29","20:40:12",""
"7719336","11.2568","0.0003","12.4963","0.0004","18.3422","0.0005","89.033","0.001","72.863","0.001","71.825","0.001","2334.59","0.12","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H43 B F15 P -","- C56 H43 B F15 P -","- C112 H86 B2 F30 P2 -","2","1","","Nasrullah, Ayu Afiqah; Täufer, Tobias; Pospech, Jola; Baráth, Eszter; Hering-Junghans, Christian","FLP-type alkenylation of a phosphafluorene.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15795","15800","10.1039/d5dt01495f","","","1.54178","CuKα","","0.0426","0.0389","","","0.1045","0.1081","","","","","","1.028","","","","has coordinates","303769","2025-11-29","20:40:12",""
"7719337","13.5169","0.0012","19.006","0.002","22.585","0.003","90","","90","","90","","5802.1","1.1","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H62 N13 Nd O22 -","- C51 H62 N13 Nd O22 -","- C204 H248 N52 Nd4 O88 -","4","1","","Jeong, Yuri; Le, Ngoc Tram Anh; Ju, Jeyun; Olshevskaia, Iuliia; Cho, Daeheum; Tokunaga, Ryuya; Hayami, Shinya; Min, Kil Sik","Near-infrared emissive mononuclear lanthanide(III) complexes based on chiral Schiff base ligands: synthesis, crystal structure, luminescence, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14533","14546","10.1039/d5dt01071c","","","0.71073","MoKα","","0.0528","0.0379","","","0.0654","0.0718","","","","","","1.017","","","","has coordinates,has disorder","302695","2025-10-06","09:52:59",""
"7719338","12.5403","0.0009","12.5403","0.0009","35.322","0.004","90","","90","","90","","5554.7","0.8","223","2","223","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C46 H48 N13 O20 Yb -","- C40 H32 N12 O20 Yb -","- C160 H128 N48 O80 Yb4 -","4","0.5","","Jeong, Yuri; Le, Ngoc Tram Anh; Ju, Jeyun; Olshevskaia, Iuliia; Cho, Daeheum; Tokunaga, Ryuya; Hayami, Shinya; Min, Kil Sik","Near-infrared emissive mononuclear lanthanide(III) complexes based on chiral Schiff base ligands: synthesis, crystal structure, luminescence, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14533","14546","10.1039/d5dt01071c","","","0.71073","MoKα","","0.0785","0.0533","","","0.1182","0.1291","","","","","","1.012","","","","has coordinates,has disorder","302695","2025-10-06","09:53:01",""
"7719339","13.424","0.004","13.424","0.004","49.95","0.02","90","","90","","120","","7795","5","223","2","223","2","","","","","","","","5","P 61","P 61","169","","","","- C46 H48 Gd N13 O20 -","- C46 H48 Gd N13 O20 -","- C276 H288 Gd6 N78 O120 -","6","1","","Jeong, Yuri; Le, Ngoc Tram Anh; Ju, Jeyun; Olshevskaia, Iuliia; Cho, Daeheum; Tokunaga, Ryuya; Hayami, Shinya; Min, Kil Sik","Near-infrared emissive mononuclear lanthanide(III) complexes based on chiral Schiff base ligands: synthesis, crystal structure, luminescence, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14533","14546","10.1039/d5dt01071c","","","0.71073","MoKα","","0.1018","0.059","","","0.1063","0.1198","","","","","","0.987","","","","has coordinates,has disorder","302695","2025-10-06","09:53:01",""
"7719340","13.3689","0.0016","13.3689","0.0016","49.867","0.011","90","","90","","120","","7719","2","223","2","223","2","","","","","","","","5","P 61","P 61","169","","","","- C46 H48 Er N13 O20 -","- C46 H48 Er N13 O20 -","- C276 H288 Er6 N78 O120 -","6","1","","Jeong, Yuri; Le, Ngoc Tram Anh; Ju, Jeyun; Olshevskaia, Iuliia; Cho, Daeheum; Tokunaga, Ryuya; Hayami, Shinya; Min, Kil Sik","Near-infrared emissive mononuclear lanthanide(III) complexes based on chiral Schiff base ligands: synthesis, crystal structure, luminescence, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14533","14546","10.1039/d5dt01071c","","","0.71073","MoKα","","0.0962","0.0596","","","0.0987","0.109","","","","","","1.004","","","","has coordinates,has disorder","302695","2025-10-06","09:53:01",""
"7719341","12.4237","0.0002","15.5377","0.0004","15.3656","0.0003","90","","93.822","0.002","90","","2959.51","0.11","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H51 Fe Mn2 N12 O11 -","- C62 H47 Fe Mn2 N12 O11 -","- C124 H94 Fe2 Mn4 N24 O22 -","2","1","","Mudoi, Prashurya Pritam; Ahmed, Niku; Choudhury, Anup; Li, Yanling; Lescouëzec, Rodrigue; Kintzel, Benjamin; Akintola, Oluseun; Plass, Winfried; Rajendiran, Marimuthu; Gogoi, Nayanmoni","Investigation of protonation induced metal-to-metal electron transfer in a cyano-bridged Mn<sup>III</sup>-Fe<sup>III</sup> dinuclear complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14161","14172","10.1039/d5dt01885d","","x-ray","0.71073","MoKα","","0.1137","0.0977","","","0.1738","0.183","","","","","","1.138","","","","has coordinates","302598","2025-10-06","09:02:30",""
"7719342","7.7186","0.0004","9.2512","0.0005","14.7986","0.0009","89.075","0.005","89.252","0.005","67.393","0.005","975.37","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Br4 N4 Zn -","- C12 H18 Br4 N4 Zn -","- C24 H36 Br8 N8 Zn2 -","2","1","","Song, Jia-Le; Song, Jia; Zhang, Guang-Ying; Zhang, Su-Jing; Shi, Xiang-Yu; Yang, Ze-Feng; Qi, Ting-Ting; Gao, Ji-Xing","High-temperature phase transition and switchable dielectric properties of the [2-amino-3-methylpyridine]<sub>2</sub>[ZnBr<sub>4</sub>] complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14480","14485","10.1039/d5dt01583a","","","0.71073","MoKα","","0.0966","0.0702","","","0.1787","0.1952","","","","","","1","","","","has coordinates","302691","2025-10-06","09:50:15",""
"7719343","27.918","0.005","27.918","0.005","14.433","0.003","90","","90","","90","","11249","4","300","2","300","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C56 H62 Cl2 Ir2 N8 O8 -","- C52 H38 Cl2 Ir2 N8 -","- C416 H304 Cl16 Ir16 N64 -","8","0.5","","U, Sreelekha; Das, Rishav; Latha Laxmi, Indrani Paramasivan; Roy, Nilmadhab; Roy, Riona; Mathivathanan, Logesh; Ramasamy, Tamizhselvi; Chakrabarty, Rinku; Paira, Priyankar","Butterfly-like photo-responsive cyclometalated Ir(III) complex: emergence of a future cancer therapeutic agent.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14728","14739","10.1039/d5dt01164g","","","0.71073","MoKα","","0.0415","0.0293","","","0.0723","0.0805","","","","","","1.021","","","","has coordinates","303782","2025-11-29","20:48:33",""
"7719344","11.3535","0.0006","12.4969","0.0007","13.5917","0.0006","96.621","0.004","109.747","0.005","106.675","0.005","1689.84","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 Co N3 O8 -","- C36 H46 Co N3 O8 -","- C72 H92 Co2 N6 O16 -","2","1","","Aiswarya, Janardhanan; Madhu, Ragunath; Anitha, Ottoor; Malecki, Jan Grzegorz; Kundu, Subrata; Murugesapandian, Balasubramanian","Tuning the ligand periphery in homoleptic Co(III) complexes: a versatile strategy to modulate electrocatalytic oxygen evolution reaction efficiency.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14740","14752","10.1039/d5dt01680k","","x-ray","0.71073","MoKα","","0.0865","0.0538","","","0.1371","0.166","","","","","","1.048","","","","has coordinates","303780","2025-11-29","20:47:34",""
"7719345","15.2585","0.0008","20.1967","0.0012","11.828","0.0005","90","","90","","90","","3645.1","0.3","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H50 Co N3 O8 -","- C38 H50 Co N3 O8 -","- C152 H200 Co4 N12 O32 -","4","1","","Aiswarya, Janardhanan; Madhu, Ragunath; Anitha, Ottoor; Malecki, Jan Grzegorz; Kundu, Subrata; Murugesapandian, Balasubramanian","Tuning the ligand periphery in homoleptic Co(III) complexes: a versatile strategy to modulate electrocatalytic oxygen evolution reaction efficiency.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14740","14752","10.1039/d5dt01680k","","x-ray","0.71073","MoKα","","0.0837","0.0538","","","0.1234","0.1474","","","","","","1.028","","","","has coordinates","303780","2025-11-29","20:47:38",""
"7719346","12.968","0.0006","18.645","0.0009","13.7485","0.0006","90","","95.828","0.005","90","","3307","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Co N5 O11 -","- C34 H38 Co N5 O11 -","- C136 H152 Co4 N20 O44 -","4","1","","Aiswarya, Janardhanan; Madhu, Ragunath; Anitha, Ottoor; Malecki, Jan Grzegorz; Kundu, Subrata; Murugesapandian, Balasubramanian","Tuning the ligand periphery in homoleptic Co(III) complexes: a versatile strategy to modulate electrocatalytic oxygen evolution reaction efficiency.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14740","14752","10.1039/d5dt01680k","","x-ray","0.71073","MoKα","","0.1147","0.0704","","","0.1787","0.2151","","","","","","1.026","","","","has coordinates","303780","2025-11-29","20:47:38",""
"7719347","14.6378","0.0005","10.3453","0.0004","23.3047","0.0009","90","","94.916","0.004","90","","3516.1","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Co N5 O10 -","- C36 H40 Co N5 O10 -","- C144 H160 Co4 N20 O40 -","4","1","","Aiswarya, Janardhanan; Madhu, Ragunath; Anitha, Ottoor; Malecki, Jan Grzegorz; Kundu, Subrata; Murugesapandian, Balasubramanian","Tuning the ligand periphery in homoleptic Co(III) complexes: a versatile strategy to modulate electrocatalytic oxygen evolution reaction efficiency.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14740","14752","10.1039/d5dt01680k","","x-ray","0.71073","MoKα","","0.0747","0.0503","","","0.1127","0.1271","","","","","","1.025","","","","has coordinates,has disorder","303780","2025-11-29","20:47:38",""
"7719348","10.5621","0.0005","10.7305","0.0004","13.636","0.0007","90","","106.913","0.005","90","","1478.61","0.12","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N22 Ni2 O2 -","- C22 H22 N22 Ni2 O2 -","- C44 H44 N44 Ni4 O4 -","2","0.5","","Sawka, Jacek; Bieńko, Alina; Świtlicka, Anna; Penkala, Mateusz; Bieńko, Dariusz; Rajnák, Cyril; Titiš, Ján; Boča, Roman; Ozarowski, Andrew","Large magnetic anisotropy of Ni(II) polynuclear complexes confirmed by very unusual HFEPR spectra: relaxation behaviour of six-coordinate Ni(II) dimers.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13421","13425","10.1039/d5dt01264c","","","0.71073","MoKα","","0.0558","0.0459","","","0.1139","0.1214","","","","","","1.036","","","","has coordinates","302641","2025-10-06","09:23:34",""
"7719349","14.0526","0.0005","8.7823","0.0004","28.8665","0.0013","90","","101.668","0.004","90","","3488.9","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H11 N11 Ni O -","- C15 H11 N11 Ni O -","- C120 H88 N88 Ni8 O8 -","8","1","","Sawka, Jacek; Bieńko, Alina; Świtlicka, Anna; Penkala, Mateusz; Bieńko, Dariusz; Rajnák, Cyril; Titiš, Ján; Boča, Roman; Ozarowski, Andrew","Large magnetic anisotropy of Ni(II) polynuclear complexes confirmed by very unusual HFEPR spectra: relaxation behaviour of six-coordinate Ni(II) dimers.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13421","13425","10.1039/d5dt01264c","","x-ray","0.71073","MoKα","","0.0345","0.0286","","","0.0746","0.0774","","","","","","1.089","","","","has coordinates","302641","2025-10-06","09:23:35",""
"7719350","12.5264","0.0004","15.7132","0.0003","21.553","0.0005","87.022","0.002","81.394","0.002","72.168","0.002","3992.91","0.18","99.97","0.1","99.97","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C61 H123 Mg N7 Na4 O S Si6 -","- C61 H123 Mg N7 Na4 O S Si6 -","- C122 H246 Mg2 N14 Na8 O2 S2 Si12 -","2","1","","Maurer, Johannes; Klerner, Lukas; Langer, Jens; Harder, Sjoerd","Redox-active inverse crowns - pockets for heavier chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13950","13957","10.1039/d5dt01896j","","x-ray","1.54184","CuKα","","0.0379","0.034","","","0.089","0.092","","","","","","1.018","","","","has coordinates","302606","2025-10-06","09:05:59",""
"7719351","9.401","0.0003","9.4361","0.0003","20.4747","0.0008","98.369","0.003","90.807","0.003","106.935","0.003","1715.96","0.11","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H54 N2 Na2 O2 P2 Si4 -","- C18 H54 N2 Na2 O2 P2 Si4 -","- C36 H108 N4 Na4 O4 P4 Si8 -","2","1","","Maurer, Johannes; Klerner, Lukas; Langer, Jens; Harder, Sjoerd","Redox-active inverse crowns - pockets for heavier chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13950","13957","10.1039/d5dt01896j","","x-ray","1.54184","CuKα","","0.0391","0.0357","","","0.0969","0.0978","","","","","","1.12","","","","has coordinates","302606","2025-10-06","09:05:59",""
"7719352","12.165","0.0001","27.8494","0.0002","22.5057","0.0002","90","","98.272","0.001","90","","7545.33","0.11","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H123 Mg N5 Na4 Se Si6 -","- C61 H123 Mg N5 Na4 Se Si6 -","- C244 H492 Mg4 N20 Na16 Se4 Si24 -","4","0.5","","Maurer, Johannes; Klerner, Lukas; Langer, Jens; Harder, Sjoerd","Redox-active inverse crowns - pockets for heavier chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13950","13957","10.1039/d5dt01896j","","x-ray","1.54184","CuKα","","0.0278","0.0263","","","0.0675","0.0685","","","","","","1.053","","","","has coordinates","302606","2025-10-06","09:05:59",""
"7719353","11.6902","0.0003","28.8769","0.0006","23.3975","0.0005","90","","97.13","0.002","90","","7837.4","0.3","99.96","0.13","99.96","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H123 Mg N5 Na4 Si6 Te -","- C61 H123 Mg N5 Na4 Si6 Te -","- C244 H492 Mg4 N20 Na16 Si24 Te4 -","4","1","","Maurer, Johannes; Klerner, Lukas; Langer, Jens; Harder, Sjoerd","Redox-active inverse crowns - pockets for heavier chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13950","13957","10.1039/d5dt01896j","","x-ray","0.71073","MoKα","","0.0576","0.0404","","","0.0774","0.084","","","","","","1.052","","","","has coordinates,has disorder","302606","2025-10-06","09:05:59",""
"7719354","16.8715","0.0003","18.3957","0.0004","21.5617","0.0005","83.441","0.002","79.27","0.002","76.307","0.002","6370.8","0.2","99.99","0.1","99.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C98 H174 Mg2 N6 Na4 Se2 Si4 -","- C98 H174 Mg2 N6 Na4 Se2 Si4 -","- C196 H348 Mg4 N12 Na8 Se4 Si8 -","2","1","","Maurer, Johannes; Klerner, Lukas; Langer, Jens; Harder, Sjoerd","Redox-active inverse crowns - pockets for heavier chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13950","13957","10.1039/d5dt01896j","","x-ray","1.54184","CuKα","","0.039","0.0341","","","0.0834","0.0867","","","","","","1.036","","","","has coordinates,has disorder","302606","2025-10-06","09:05:59",""
"7719355","14.5738","0.0004","14.5499","0.0003","15.2532","0.0004","90","","108.525","0.003","90","","3066.81","0.14","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H45 Br2 Cl2 Fe N P2 -","- C24 H45 Br2 Cl2 Fe N P2 -","- C96 H180 Br8 Cl8 Fe4 N4 P8 -","4","1","","Pandey, Dilip K.; Gridneva, Tatiana; Khaskin, Eugene; Fayzullin, Robert R.; Vasylevskyi, Serhii; Khusnutdinova, Julia R.","Distinct reactivity of iron dihydride <i>vs.</i> iron(hydride)(borohydride) bearing the same bulky PNP ligand in hydrogenation of alkenes and alkynes.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14809","14820","10.1039/d5dt01350j","","x-ray","0.71073","MoKα","","0.0541","0.0441","","","0.0935","0.0955","","","","","","1.268","","","","has coordinates,has disorder","303778","2025-11-29","20:46:43",""
"7719356","21.6268","0.0003","8.65623","0.00018","28.0781","0.0004","90","","103.092","0.0016","90","","5119.79","0.15","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H45 Fe N3 P2 -","- C23 H45 Fe N3 P2 -","- C184 H360 Fe8 N24 P16 -","8","1","","Pandey, Dilip K.; Gridneva, Tatiana; Khaskin, Eugene; Fayzullin, Robert R.; Vasylevskyi, Serhii; Khusnutdinova, Julia R.","Distinct reactivity of iron dihydride <i>vs.</i> iron(hydride)(borohydride) bearing the same bulky PNP ligand in hydrogenation of alkenes and alkynes.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14809","14820","10.1039/d5dt01350j","","x-ray","1.54184","CuKα","","0.0597","0.0537","","","0.1447","0.1508","","","","","","1.056","","","","has coordinates","303778","2025-11-29","20:46:45",""
"7719357","11.27861","0.0001","15.1942","0.00012","16.13691","0.00014","90","","105.247","0.0009","90","","2668.03","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H43 Fe N O2 P2 -","- C25 H43 Fe N O2 P2 -","- C100 H172 Fe4 N4 O8 P8 -","4","1","","Pandey, Dilip K.; Gridneva, Tatiana; Khaskin, Eugene; Fayzullin, Robert R.; Vasylevskyi, Serhii; Khusnutdinova, Julia R.","Distinct reactivity of iron dihydride <i>vs.</i> iron(hydride)(borohydride) bearing the same bulky PNP ligand in hydrogenation of alkenes and alkynes.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14809","14820","10.1039/d5dt01350j","","x-ray","1.54184","CuKα","","0.0317","0.0308","","","0.0854","0.0862","","","","","","1.034","","","","has coordinates","303778","2025-11-29","20:46:45",""
"7719358","17.84234","0.0001","20.10737","0.00011","23.79615","0.00014","90","","110.388","0.0006","90","","8002.36","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42.75 H62 Fe N P2 -","- C42.75 H62 Fe N P2 -","- C342 H496 Fe8 N8 P16 -","8","2","","Pandey, Dilip K.; Gridneva, Tatiana; Khaskin, Eugene; Fayzullin, Robert R.; Vasylevskyi, Serhii; Khusnutdinova, Julia R.","Distinct reactivity of iron dihydride <i>vs.</i> iron(hydride)(borohydride) bearing the same bulky PNP ligand in hydrogenation of alkenes and alkynes.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14809","14820","10.1039/d5dt01350j","","x-ray","1.54184","CuKα","","0.051","0.0461","","","0.1317","0.1362","","","","","","1.033","","","","has coordinates,has disorder","303778","2025-11-29","20:46:45",""
"7719359","8.3155","0.0003","9.7152","0.0004","9.9641","0.0004","93.576","0.002","110.25","0.001","99.203","0.001","739.44","0.05","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H40 Br7 In N4 O6 -","- C10 H40 Br7 In N4 O6 -","- C10 H40 Br7 In N4 O6 -","1","0.5","","Zan, Hong-Zhao; Wang, Xiao-Zhong; Zhao, Hai-Xin; Wang, Shou-Wang; Chen, Lei; Wang, Hao-Yuan; Zhao, Lai-Zhi; Zhang, Xiao-De; Kong, Xiang-Wen","Stable zero-dimensional hybrid indium-based halides with yellow to orange light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13909","13917","10.1039/d5dt01382h","","","0.71073","MoKα","","0.0378","0.0278","","","0.0651","0.0689","","","","","","1.034","","","","has coordinates,has disorder","302602","2025-10-06","09:04:15",""
"7719360","10.677","0.0009","13.4631","0.0013","8.9606","0.0009","90","","90","","90","","1288","0.2","273.15","","273.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C4 H16 Br3.5 In0.5 N2 -","- C4 H16 Br3.5 In0.5 N2 -","- C16 H64 Br14 In2 N8 -","4","1","","Zan, Hong-Zhao; Wang, Xiao-Zhong; Zhao, Hai-Xin; Wang, Shou-Wang; Chen, Lei; Wang, Hao-Yuan; Zhao, Lai-Zhi; Zhang, Xiao-De; Kong, Xiang-Wen","Stable zero-dimensional hybrid indium-based halides with yellow to orange light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13909","13917","10.1039/d5dt01382h","","","0.71073","MoKα","","0.0358","0.0241","","","0.0379","0.0406","","","","","","0.996","","","","has coordinates","302602","2025-10-06","09:04:16",""
"7719361","9.1392","0.0015","9.7127","0.0014","21.821","0.004","102.963","0.005","100.07","0.005","90.832","0.005","1855.6","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Br7 In N9 -","- C21 H24 Br7 In N9 -","- C42 H48 Br14 In2 N18 -","2","1","","Zan, Hong-Zhao; Wang, Xiao-Zhong; Zhao, Hai-Xin; Wang, Shou-Wang; Chen, Lei; Wang, Hao-Yuan; Zhao, Lai-Zhi; Zhang, Xiao-De; Kong, Xiang-Wen","Stable zero-dimensional hybrid indium-based halides with yellow to orange light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13909","13917","10.1039/d5dt01382h","","","0.71076","MoKα","","0.0888","0.067","","","0.2024","0.2192","","","","","","1.035","","","","has coordinates","302602","2025-10-06","09:04:16",""
"7719362","8.9054","0.0007","9.8984","0.0008","12.7846","0.001","71.066","0.006","81.708","0.006","84.096","0.006","1052.94","0.15","123","","123","","","","","","","","","6","P -1","-P 1","2","","PB-142","","- C17 H28 Fe N3 O5 P -","- C17 H28 Fe N3 O5 P -","- C34 H56 Fe2 N6 O10 P2 -","2","1","","Brehm, Philipp C.; Schnakenburg, Gregor; Frontera, Antonio; Bill, Eckhard; Schiemann, Olav; Streubel, Rainer","Unexpected bonding ambiguity of the open/closed-shell R<sub>2</sub>PO ligand family: the case of phosphinoyl <i>vs.</i> phosphoryl if bound to transition metals in their low oxidation state.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12349","12357","10.1039/d5dt01459j","","","0.71073","MoKα","","0.0726","0.0481","","","0.1067","0.1139","","","","","","0.947","","","","has coordinates","302024","2025-09-04","18:15:18",""
"7719363","11.4035","0.0004","15.0426","0.0006","11.8895","0.0005","90","","95.853","0.002","90","","2028.87","0.14","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","PB-360","","- C18 H22 Co Fe N2 O6 P -","- C18 H22 Co Fe N2 O6 P -","- C72 H88 Co4 Fe4 N8 O24 P4 -","4","1","","Brehm, Philipp C.; Schnakenburg, Gregor; Frontera, Antonio; Bill, Eckhard; Schiemann, Olav; Streubel, Rainer","Unexpected bonding ambiguity of the open/closed-shell R<sub>2</sub>PO ligand family: the case of phosphinoyl <i>vs.</i> phosphoryl if bound to transition metals in their low oxidation state.","Dalton transactions (Cambridge, England : 2003)","2025","54","32","12349","12357","10.1039/d5dt01459j","","x-ray","0.71073","MoKα","","0.0216","0.0204","","","0.0529","0.0538","","","","","","1.038","","","","has coordinates","302024","2025-09-04","18:15:25",""
"7719364","13.099","0.002","13.535","0.002","13.677","0.002","64.28","0.004","64.97","0.005","72.665","0.005","1959.9","0.5","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C74 H110 Cl4 Co3 N4 O15 -","- C74 H110 Cl4 Co3 N4 O15 -","- C74 H110 Cl4 Co3 N4 O15 -","1","1","","Ahmed, Naushad; Kalita, Pankaj; Nabi, Rizwan; Guizouarn, Thierry; Pointillart, Fabrice; Zhang, Xiaoguang; Chandrasekhar, Vadapalli","Mixed-valence linear CoIII2Co<sup>II</sup> complexes with easy-axis magnetic anisotropy: Experimental and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12648","12657","10.1039/d5dt01060h","","","0.71073","MoKα","","0.0861","0.0671","","","0.1995","0.2181","","","","","","1.05","","","","has coordinates,has disorder","302025","2025-09-04","18:20:30",""
"7719365","13.0935","0.0002","13.6028","0.0002","13.6458","0.0002","64.187","0.002","65.083","0.002","72.595","0.001","1964.25","0.06","100","0.1","100","10","","","","","","","","6","P 1","P 1","1","","","","- C73 H106 Cl4 Co3 N4 O14 -","- C68 H92 Co3 N4 O12 -","- C68 H92 Co3 N4 O12 -","1","1","","Ahmed, Naushad; Kalita, Pankaj; Nabi, Rizwan; Guizouarn, Thierry; Pointillart, Fabrice; Zhang, Xiaoguang; Chandrasekhar, Vadapalli","Mixed-valence linear CoIII2Co<sup>II</sup> complexes with easy-axis magnetic anisotropy: Experimental and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2025","54","33","12648","12657","10.1039/d5dt01060h","","","0.71073","MoKα","","0.0403","0.0345","","","0.0792","0.0816","","","","","","1.072","","","","has coordinates,has disorder","302025","2025-09-04","18:20:31",""
"7719366","11.9799","0.0003","12.1232","0.0003","12.191","0.0004","100.822","0.001","109.348","0.001","116.842","0.001","1365.66","0.07","302","","302","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Br8 N2 O5 Sb2 -","- C12 H14 Br8 N2 O5 Sb2 -","- C24 H28 Br16 N4 O10 Sb4 -","2","1","","Wen, Xuemei; Yi, Gangji; Zhong, Qinglan; Guo, Caihong; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Strong second-harmonic generation response in an organic-inorganic hybrid antimony bromide.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11812","11816","10.1039/d5dt01320h","","x-ray","0.71073","MoKα","","0.0666","0.0466","","","0.1246","0.1383","","","","","","1.025","","","","has coordinates","302026","2025-09-04","18:27:34",""
"7719367","14.0673","0.0008","19.4421","0.0008","8.0411","0.0006","90","","98.518","0.003","90","","2175","0.2","302","2","302","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H12 Br5 N2 O4 Sb -","- C12 H12 Br5 N2 O4 Sb -","- C48 H48 Br20 N8 O16 Sb4 -","4","1","","Wen, Xuemei; Yi, Gangji; Zhong, Qinglan; Guo, Caihong; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Strong second-harmonic generation response in an organic-inorganic hybrid antimony bromide.","Dalton transactions (Cambridge, England : 2003)","2025","54","31","11812","11816","10.1039/d5dt01320h","","x-ray","0.71073","MoKα","","0.0611","0.0498","","","0.1195","0.1262","","","","","","1.009","","","","has coordinates","302026","2025-09-04","18:27:36",""
"7719368","12.1606","0.0003","24.9127","0.0007","13.66","0.0003","90","","98.256","0.002","90","","4095.45","0.18","197.15","","197.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6,6'-((2-(diisopropylphosphaneyl)phenyl)phosphanediyl)bis(2,4-di-tert-butylphenol)","","- C40 H60 O2 P2 -","- C40 H60 O2 P2 -","- C160 H240 O8 P8 -","4","1","","Xiong, Chunyan; Zhang, Jinwei; An, Jingyi; Yuan, Zhiqiang; Li, Zhaoxin; Liu, Yanhong; Hu, Shaowei","Tripodal bisphenolate-bisphosphine ligands with hybrid hard/soft donors: titanium complexes and dinitrogen activation.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14142","14149","10.1039/d5dt01492a","","","1.54184","CuKα","","0.084","0.0631","","","0.1744","0.1989","","","","","","1.07","","","","has coordinates,has disorder","302607","2025-10-06","09:06:37",""
"7719369","10.4694","0.0005","14.6704","0.0009","16.5469","0.0008","68.257","0.005","89.943","0.004","77.107","0.004","2291.7","0.2","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 Cl O3 P2 Ti -","- C50 H62 Cl O3 P2 Ti -","- C100 H124 Cl2 O6 P4 Ti2 -","2","1","","Xiong, Chunyan; Zhang, Jinwei; An, Jingyi; Yuan, Zhiqiang; Li, Zhaoxin; Liu, Yanhong; Hu, Shaowei","Tripodal bisphenolate-bisphosphine ligands with hybrid hard/soft donors: titanium complexes and dinitrogen activation.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14142","14149","10.1039/d5dt01492a","","x-ray","1.54184","CuKα","","0.1093","0.0995","","","0.272","0.2786","","","","","","1.038","","","","has coordinates,has disorder","302607","2025-10-06","09:06:48",""
"7719370","25.7601","0.0005","16.3399","0.0003","10.4561","0.0002","90","","90","","90","","4401.16","0.14","100","2","100.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43.63 H64.75 Cl O3 P2 Ti -","- C43.626 H64.752 Cl O3 P2 Ti -","- C174.504 H259.008 Cl4 O12 P8 Ti4 -","4","1","","Xiong, Chunyan; Zhang, Jinwei; An, Jingyi; Yuan, Zhiqiang; Li, Zhaoxin; Liu, Yanhong; Hu, Shaowei","Tripodal bisphenolate-bisphosphine ligands with hybrid hard/soft donors: titanium complexes and dinitrogen activation.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14142","14149","10.1039/d5dt01492a","","","1.54184","CuKα","","0.0793","0.073","","","0.168","0.1708","","","","","","1.094","","","","has coordinates,has disorder","302607","2025-10-06","09:06:48",""
"7719371","10.5896","0.0002","38.764","0.0005","11.9374","0.0002","90","","111.06","0.002","90","","4572.93","0.14","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H138 Cl4 O5 P4 Ti2 -","- C90 H138 Cl4 O5 P4 Ti2 -","- C180 H276 Cl8 O10 P8 Ti4 -","2","0.5","","Xiong, Chunyan; Zhang, Jinwei; An, Jingyi; Yuan, Zhiqiang; Li, Zhaoxin; Liu, Yanhong; Hu, Shaowei","Tripodal bisphenolate-bisphosphine ligands with hybrid hard/soft donors: titanium complexes and dinitrogen activation.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14142","14149","10.1039/d5dt01492a","","","1.54184","CuKα","","0.0711","0.0671","","","0.1792","0.1818","","","","","","1.116","","","","has coordinates,has disorder","302607","2025-10-06","09:06:48",""
"7719372","24.56","0.0002","11.2381","0.0001","40.0482","0.0003","90","","106.913","0.001","90","","10575.5","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2.97 H4.35 N0.07 O0.2 P0.14 Ti0.07 -","- C2.97312 H4.34705 N0.0677966 O0.20339 P0.135593 Ti0.0677966 -","- C350.828 H512.952 N8 O24 P16 Ti8 -","118","29.5","","Xiong, Chunyan; Zhang, Jinwei; An, Jingyi; Yuan, Zhiqiang; Li, Zhaoxin; Liu, Yanhong; Hu, Shaowei","Tripodal bisphenolate-bisphosphine ligands with hybrid hard/soft donors: titanium complexes and dinitrogen activation.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14142","14149","10.1039/d5dt01492a","","x-ray","1.54184","CuKα","","0.0645","0.0559","","","0.1487","0.1541","","","","","","1.032","","","","has coordinates,has disorder","302607","2025-10-06","09:06:48",""
"7719373","8.328","0.0002","9.574","0.0002","40.265","0.001","90","","90","","90","","3210.42","0.13","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 Cl2 O2 P2 Sn -","- C28 H44 Cl2 O2 P2 Sn -","- C112 H176 Cl8 O8 P8 Sn4 -","4","1","","Chlebík, Richard; Kertész, Erik; Erben, Milan; Růžička, Aleš; Jambor, Roman; Benkő, Zoltán; Dostál, Libor","Remarkable coordination variability of the P,C,P-pincer ligand in organotin(IV) compounds - a promising outlook for other p-block elements.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15093","15106","10.1039/d5dt01873k","","","0.71073","MoKα","","0.0181","0.0181","","","0.0443","0.0443","","","","","","1.12","","","","has coordinates,has disorder","303813","2025-11-29","21:02:45",""
"7719374","7.7135","0.0002","13.7681","0.0004","25.706","0.0007","90","","90.088","0.001","90","","2729.98","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H45 B2 Br O2 P2 -","- C22 H45 B2 Br O2 P2 -","- C88 H180 B8 Br4 O8 P8 -","4","1","","Chlebík, Richard; Kertész, Erik; Erben, Milan; Růžička, Aleš; Jambor, Roman; Benkő, Zoltán; Dostál, Libor","Remarkable coordination variability of the P,C,P-pincer ligand in organotin(IV) compounds - a promising outlook for other p-block elements.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15093","15106","10.1039/d5dt01873k","","","0.71073","MoKα","","0.0328","0.0247","","","0.0595","0.0633","","","","","","1.02","","","","has coordinates","303813","2025-11-29","21:02:46",""
"7719375","14.1228","0.0007","13.9952","0.0007","15.4847","0.0007","90","","94.831","0.002","90","","3049.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 Cl3 O2 P2 Sn -","- C25 H42 Cl3 O2 P2 Sn -","- C100 H168 Cl12 O8 P8 Sn4 -","4","1","","Chlebík, Richard; Kertész, Erik; Erben, Milan; Růžička, Aleš; Jambor, Roman; Benkő, Zoltán; Dostál, Libor","Remarkable coordination variability of the P,C,P-pincer ligand in organotin(IV) compounds - a promising outlook for other p-block elements.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15093","15106","10.1039/d5dt01873k","","","0.71073","MoKα","","0.0703","0.0368","","","0.082","0.0996","","","","","","1.061","","","","has coordinates,has disorder","303813","2025-11-29","21:02:47",""
"7719376","14.0814","0.0005","14.5065","0.0004","18.0478","0.0006","90","","110.385","0.001","90","","3455.77","0.19","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 B2 Cl2 O2 P2 Sn -","- C28 H50 B2 Cl2 O2 P2 Sn -","- C112 H200 B8 Cl8 O8 P8 Sn4 -","4","1","","Chlebík, Richard; Kertész, Erik; Erben, Milan; Růžička, Aleš; Jambor, Roman; Benkő, Zoltán; Dostál, Libor","Remarkable coordination variability of the P,C,P-pincer ligand in organotin(IV) compounds - a promising outlook for other p-block elements.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15093","15106","10.1039/d5dt01873k","","","0.71073","MoKα","","0.0318","0.0259","","","0.0532","0.0578","","","","","","1.145","","","","has coordinates","303813","2025-11-29","21:02:47",""
"7719377","14.827","0.0002","13.0058","0.0002","36.9622","0.0007","90","","100.126","0.001","90","","7016.7","0.2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66.25 H64.5 B2 Cl0.5 F24 O2 P2 Sn -","- C66.25 H64.5 B2 Cl0.5 F24 O2 P2 Sn -","- C265 H258 B8 Cl2 F96 O8 P8 Sn4 -","4","1","","Chlebík, Richard; Kertész, Erik; Erben, Milan; Růžička, Aleš; Jambor, Roman; Benkő, Zoltán; Dostál, Libor","Remarkable coordination variability of the P,C,P-pincer ligand in organotin(IV) compounds - a promising outlook for other p-block elements.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15093","15106","10.1039/d5dt01873k","","","0.71073","MoKα","","0.0626","0.0592","","","0.1605","0.1644","","","","","","1.029","","","","has coordinates,has disorder","303813","2025-11-29","21:02:47",""
"7719378","13.2916","0.0005","13.6331","0.0005","15.1787","0.0006","99.035","0.001","100.699","0.001","116.686","0.001","2322.47","0.16","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C72 H136 Ag2 Cl4 F6 O10 P4 S2 Sn2 -","- C72 H136 Ag2 Cl4 F6 O10 P4 S2 Sn2 -","- C72 H136 Ag2 Cl4 F6 O10 P4 S2 Sn2 -","1","0.5","","Chlebík, Richard; Kertész, Erik; Erben, Milan; Růžička, Aleš; Jambor, Roman; Benkő, Zoltán; Dostál, Libor","Remarkable coordination variability of the P,C,P-pincer ligand in organotin(IV) compounds - a promising outlook for other p-block elements.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15093","15106","10.1039/d5dt01873k","","","0.71073","MoKα","","0.0212","0.0198","","","0.0459","0.0473","","","","","","1.089","","","","has coordinates,has disorder","303813","2025-11-29","21:02:47",""
"7719379","20.9081","0.0005","17.766","0.0005","19.1265","0.0004","90","","104.363","0.001","90","","6882.5","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H61 B F24 O2 P2 Sn -","- C66 H61 B F24 O2 P2 Sn -","- C264 H244 B4 F96 O8 P8 Sn4 -","4","1","","Chlebík, Richard; Kertész, Erik; Erben, Milan; Růžička, Aleš; Jambor, Roman; Benkő, Zoltán; Dostál, Libor","Remarkable coordination variability of the P,C,P-pincer ligand in organotin(IV) compounds - a promising outlook for other p-block elements.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15093","15106","10.1039/d5dt01873k","","","0.71073","MoKα","","0.0847","0.0641","","","0.1701","0.195","","","","","","0.987","","","","has coordinates,has disorder","303813","2025-11-29","21:02:47",""
"7719380","14.1318","0.0004","22.9571","0.0007","14.044","0.0004","90","","115.279","0.001","90","","4119.9","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H57 B2 Cl3 O2 P2 Sn -","- C35 H57 B2 Cl3 O2 P2 Sn -","- C140 H228 B8 Cl12 O8 P8 Sn4 -","4","1","","Chlebík, Richard; Kertész, Erik; Erben, Milan; Růžička, Aleš; Jambor, Roman; Benkő, Zoltán; Dostál, Libor","Remarkable coordination variability of the P,C,P-pincer ligand in organotin(IV) compounds - a promising outlook for other p-block elements.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15093","15106","10.1039/d5dt01873k","","","0.71073","MoKα","","0.0349","0.0296","","","0.0698","0.0753","","","","","","1.087","","","","has coordinates","303813","2025-11-29","21:02:47",""
"7719381","18.6707","0.0004","19.5062","0.0004","17.8913","0.0003","90","","106.829","0.001","90","","6236.9","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H51 B Cl2 F24 O2 P2 Sn -","- C54 H51 B Cl2 F24 O2 P2 Sn -","- C216 H204 B4 Cl8 F96 O8 P8 Sn4 -","4","1","","Chlebík, Richard; Kertész, Erik; Erben, Milan; Růžička, Aleš; Jambor, Roman; Benkő, Zoltán; Dostál, Libor","Remarkable coordination variability of the P,C,P-pincer ligand in organotin(IV) compounds - a promising outlook for other p-block elements.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15093","15106","10.1039/d5dt01873k","","","0.71073","MoKα","","0.0417","0.0346","","","0.085","0.0929","","","","","","1.047","","","","has coordinates,has disorder","303813","2025-11-29","21:02:47",""
"7719382","13.1017","0.0006","13.6078","0.0007","29.6129","0.0014","78.821","0.002","87.291","0.002","84.324","0.002","5151.8","0.4","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C73 H142 Ag2 Cl10 F12 O4 P4 Sb2 Sn2 -","- C73 H142 Ag2 Cl10 F12 O4 P4 Sb2 Sn2 -","- C146 H284 Ag4 Cl20 F24 O8 P8 Sb4 Sn4 -","2","1","","Chlebík, Richard; Kertész, Erik; Erben, Milan; Růžička, Aleš; Jambor, Roman; Benkő, Zoltán; Dostál, Libor","Remarkable coordination variability of the P,C,P-pincer ligand in organotin(IV) compounds - a promising outlook for other p-block elements.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15093","15106","10.1039/d5dt01873k","","","0.71073","MoKα","","0.0585","0.0533","","","0.1223","0.1263","","","","","","1.136","","","","has coordinates,has disorder","303813","2025-11-29","21:02:47",""
"7719383","3.8091","0.0005","6.3074","0.0007","22.583","0.003","90","","94.602","0.004","90","","540.82","0.12","150","","150","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C26 H20 N8 O2 -","2","1","","Shekhovtsov, Nikita A.; Vorobyeva, Sofia N.; Ryadun, Alexey A.; Nikolaenkova, Elena B.; Tikhonov, Alexey Y.; Bushuev, Mark B.","Dual excitation-wavelength-dependent luminescence and proton transfer in ESIPT-active zinc(II) complexes with 2-(1<i>H</i>-pyrazol-1-yl)-4-(2-hydroxyphenyl)pyrimidine.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15157","15168","10.1039/d5dt01688f","","","0.71073","MoKα","","0.0352","0.0332","","","0.0852","0.0862","","","","","","1.075","","","","has coordinates","303806","2025-11-29","20:58:56",""
"7719384","7.8968","0.0006","8.4219","0.0006","12.0927","0.0009","81.773","0.003","88.889","0.003","62.71","0.003","706.39","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Br4 N8 O2 Zn2 -","- C26 H20 Br4 N8 O2 Zn2 -","- C26 H20 Br4 N8 O2 Zn2 -","1","0.5","","Shekhovtsov, Nikita A.; Vorobyeva, Sofia N.; Ryadun, Alexey A.; Nikolaenkova, Elena B.; Tikhonov, Alexey Y.; Bushuev, Mark B.","Dual excitation-wavelength-dependent luminescence and proton transfer in ESIPT-active zinc(II) complexes with 2-(1<i>H</i>-pyrazol-1-yl)-4-(2-hydroxyphenyl)pyrimidine.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15157","15168","10.1039/d5dt01688f","","","0.71073","MoKα","","0.0357","0.03","","","0.0653","0.0679","","","","","","1.05","","","","has coordinates","303806","2025-11-29","20:58:57",""
"7719385","7.9879","0.0005","8.352","0.0005","11.5655","0.0007","81.123","0.002","89.218","0.002","62.868","0.002","677.05","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Cl4 N8 O2 Zn2 -","- C26 H20 Cl4 N8 O2 Zn2 -","- C26 H20 Cl4 N8 O2 Zn2 -","1","0.5","","Shekhovtsov, Nikita A.; Vorobyeva, Sofia N.; Ryadun, Alexey A.; Nikolaenkova, Elena B.; Tikhonov, Alexey Y.; Bushuev, Mark B.","Dual excitation-wavelength-dependent luminescence and proton transfer in ESIPT-active zinc(II) complexes with 2-(1<i>H</i>-pyrazol-1-yl)-4-(2-hydroxyphenyl)pyrimidine.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15157","15168","10.1039/d5dt01688f","","","0.71073","MoKα","","0.0318","0.0258","","","0.0634","0.0662","","","","","","1.045","","","","has coordinates","303806","2025-11-29","20:58:57",""
"7719386","7.8982","0.0002","8.3957","0.0002","13.0362","0.0002","96.528","0.001","90.982","0.001","117.075","0.001","762.4","0.03","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 I4 N8 O2 Zn2 -","- C26 H20 I4 N8 O2 Zn2 -","- C26 H20 I4 N8 O2 Zn2 -","1","0.5","","Shekhovtsov, Nikita A.; Vorobyeva, Sofia N.; Ryadun, Alexey A.; Nikolaenkova, Elena B.; Tikhonov, Alexey Y.; Bushuev, Mark B.","Dual excitation-wavelength-dependent luminescence and proton transfer in ESIPT-active zinc(II) complexes with 2-(1<i>H</i>-pyrazol-1-yl)-4-(2-hydroxyphenyl)pyrimidine.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15157","15168","10.1039/d5dt01688f","","","0.71073","MoKα","","0.0348","0.0269","","","0.0518","0.0561","","","","","","1.046","","","","has coordinates","303806","2025-11-29","20:58:57",""
"7719387","17.463","0.0003","17.463","0.0003","15.7651","0.0006","90","","90","","90","","4807.7","0.2","100","2","100","2","","","","","","","","7","P 42 b c","P 4c -2ab","106","","","","- C22 H26 F3 Fe N4 O5 S -","- C22 H26 F3 Fe N4 O5 S -","- C176 H208 F24 Fe8 N32 O40 S8 -","8","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","1.54184","CuKα","","0.0672","0.0584","","","0.1419","0.1463","","","","","","1.151","","","","has coordinates,has disorder","302694","2025-10-06","09:52:08",""
"7719388","18.924","0.006","10.853","0.003","20.187","0.006","90","","115.379","0.005","90","","3745.9","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H58 Cl Fe N4 O6 -","- C37 H58 Cl Fe N4 O6 -","- C148 H232 Cl4 Fe4 N16 O24 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","0.71073","MoKα","","0.0466","0.0407","","","0.1033","0.1069","","","","","","1.04","","","","has coordinates,has disorder","302694","2025-10-06","09:52:10",""
"7719389","20.2347","0.0004","8.1843","0.0001","18.3997","0.0003","90","","96.259","0.002","90","","3028.95","0.09","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C25 H30 F6 Fe N8 O6 P -","- C25 H30 F6 Fe N8 O6 P -","- C100 H120 F24 Fe4 N32 O24 P4 -","4","0.5","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","0.71073","MoKα","","0.0369","0.0306","","","0.0705","0.0746","","","","","","1.059","","","","has coordinates,has disorder","302694","2025-10-06","09:52:10",""
"7719390","9.2501","0.0002","17.1644","0.0003","16.799","0.0003","90","","100.135","0.002","90","","2625.6","0.09","105","7","105","7","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Br4 Cl Fe N4 O6 -","- C21 H22 Br4 Cl Fe N4 O6 -","- C84 H88 Br16 Cl4 Fe4 N16 O24 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","x-ray","0.71073","MoKα","","0.0254","0.0211","","","0.0413","0.0424","","","","","","1.055","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719391","9.0398","0.0003","16.2508","0.0003","15.1781","0.0004","90","","92.468","0.003","90","","2227.66","0.1","99.5","1","99.5","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl F2 Fe N4 O6 -","- C21 H24 Cl F2 Fe N4 O6 -","- C84 H96 Cl4 F8 Fe4 N16 O24 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","x-ray","0.71073","MoKα","","0.0499","0.0383","","","0.0831","0.089","","","","","","1.049","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719392","9.1222","0.0002","17.4152","0.0003","15.1688","0.0003","90","","90.358","0.002","90","","2409.74","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl3 Fe N4 O6 -","- C21 H24 Cl3 Fe N4 O6 -","- C84 H96 Cl12 Fe4 N16 O24 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","x-ray","0.71073","MoKα","","0.0509","0.0383","","","0.0933","0.1016","","","","","","1.077","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719393","9.04","0.001","17.585","0.002","15.084","0.001","90","","90.27","0.01","90","","2397.9","0.4","100","2","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 B Br2 F4 Fe N4 O2 -","- C21 H24 B Br2 F4 Fe N4 O2 -","- C84 H96 B4 Br8 F16 Fe4 N16 O8 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","0.71073","MoKα","","0.0779","0.0628","","","0.1557","0.1707","","","","","","1.063","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719394","9.3623","0.0003","21.7255","0.0006","11.6225","0.0003","90","","103.671","0.003","90","","2297.05","0.12","100","0.4","100","0.4","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl F4 Fe N4 O6 -","- C21 H22 Cl F4 Fe N4 O6 -","- C84 H88 Cl4 F16 Fe4 N16 O24 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","x-ray","0.71073","MoKα","","0.0688","0.0417","","","0.0793","0.0897","","","","","","1.028","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719395","12.752","0.0004","20.1215","0.0006","9.893","0.0003","90","","100.856","0.003","90","","2493.01","0.13","100","0.14","100","0.14","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 Cl Fe I2 N4 O6 -","- C21 H24 Cl Fe I2 N4 O6 -","- C84 H96 Cl4 Fe4 I8 N16 O24 -","4","0.5","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","x-ray","0.71073","MoKα","","0.033","0.0244","","","0.0452","0.048","","","","","","1.094","","","","has coordinates,has disorder","302694","2025-10-06","09:52:10",""
"7719396","9.0336","0.0002","17.7098","0.0004","15.1217","0.0003","90","","92.048","0.002","90","","2417.67","0.09","100","0.3","100","0.3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Br2 Cl Fe N4 O6 -","- C21 H24 Br2 Cl Fe N4 O6 -","- C84 H96 Br8 Cl4 Fe4 N16 O24 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","x-ray","0.71073","MoKα","","0.0325","0.0261","","","0.0517","0.0541","","","","","","1.042","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719397","9.0389","0.0007","17.2749","0.0014","15.1106","0.0012","90","","91.409","0.002","90","","2358.7","0.3","100","2","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 B Cl2 F4 Fe N4 O2 -","- C21 H24 B Cl2 F4 Fe N4 O2 -","- C84 H96 B4 Cl8 F16 Fe4 N16 O8 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","0.71073","MoKα","","0.0381","0.0333","","","0.084","0.0869","","","","","","1.049","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719398","10.1107","0.0002","25.0748","0.0003","11.6977","0.0002","90","","105.262","0.002","90","","2861.05","0.09","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H34 F6 Fe N4 O6 P -","- C25 H34 F6 Fe N4 O6 P -","- C100 H136 F24 Fe4 N16 O24 P4 -","4","0.5","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","1.54184","CuKα","","0.0369","0.0356","","","0.0989","0.0998","","","","","","1.105","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719399","9.1017","0.0001","16.9896","0.0002","16.7584","0.0002","90","","100.849","0.001","90","","2545.11","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl5 Fe N4 O6 -","- C21 H22 Cl5 Fe N4 O6 -","- C84 H88 Cl20 Fe4 N16 O24 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","x-ray","0.71073","MoKα","","0.0367","0.0282","","","0.063","0.0681","","","","","","1.043","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719400","10.3657","0.00003","16.96833","0.00006","14.72949","0.00005","90","","99.3991","0.0003","90","","2555.97","0.015","106.6","0.3","106.6","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Br4 Fe N5 O5 -","- C21 H22 Br4 Fe N5 O5 -","- C84 H88 Br16 Fe4 N20 O20 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","x-ray","1.54184","CuKα","","0.0224","0.0223","","","0.0548","0.0548","","","","","","1.199","","","","has coordinates,has disorder","302694","2025-10-06","09:52:10",""
"7719401","9.5842","0.0002","17.5289","0.0003","16.9964","0.0003","90","","99.648","0.002","90","","2815.02","0.09","100","0.4","100","0.4","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl Fe I4 N4 O6 -","- C21 H22 Cl Fe I4 N4 O6 -","- C84 H88 Cl4 Fe4 I16 N16 O24 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","x-ray","0.71073","MoKα","","0.0316","0.0231","","","0.0398","0.0426","","","","","","1.033","","","","has coordinates,has disorder","302694","2025-10-06","09:52:10",""
"7719402","10.8992","0.0003","11.2625","0.0004","12.7396","0.0004","100.091","0.003","92.453","0.003","98.673","0.003","1518.16","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H34.54 F3 Fe N4 O9.27 S -","- C26 H34.538 F3 Fe N4 O9.269 S -","- C52 H69.076 F6 Fe2 N8 O18.538 S2 -","2","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","1.54184","CuKα","","0.0328","0.0316","","","0.0855","0.0866","","","","","","1.078","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719403","14.2892","0.0001","22.1913","0.0002","15.139","0.0002","90","","90","","90","","4800.52","0.08","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C23 H30 B F4 Fe N4 O4 -","- C23 H30 B F4 Fe N4 O4 -","- C184 H240 B8 F32 Fe8 N32 O32 -","8","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","1.54184","CuKα","","0.0281","0.0246","","","0.0649","0.0657","","","","","","1.033","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719404","14.4297","0.0002","21.6194","0.0003","15.0819","0.0002","90","","90","","90","","4704.97","0.11","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C23 H30 Fe N5 O7 -","- C23 H30 Fe N5 O7 -","- C184 H240 Fe8 N40 O56 -","8","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","1.54184","CuKα","","0.0369","0.0328","","","0.087","0.0908","","","","","","1.026","","","","has coordinates,has disorder","302694","2025-10-06","09:52:10",""
"7719405","17.1652","0.0001","14.3291","0.0001","23.6398","0.0001","90","","107.699","0.001","90","","5539.27","0.06","105.3","0.8","105.3","0.8","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Fe I4 N5 O5 -","- C21 H22 Fe I4 N5 O5 -","- C168 H176 Fe8 I32 N40 O40 -","8","2","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","x-ray","0.71073","MoKα","","0.0188","0.0156","","","0.0329","0.0339","","","","","","1.151","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719406","9.0288","0.0009","16.4741","0.0016","15.5341","0.0015","90","","91.658","0.002","90","","2309.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Cl Fe N4 O8 -","- C21 H26 Cl Fe N4 O8 -","- C84 H104 Cl4 Fe4 N16 O32 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","0.71073","MoKα","","0.0452","0.0385","","","0.1094","0.1153","","","","","","1.038","","","","has coordinates,has disorder","302694","2025-10-06","09:52:10",""
"7719407","11.9103","0.0019","11.9275","0.0019","16.264","0.003","106.769","0.004","96.468","0.004","99.558","0.004","2149.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H54 B Fe N4 O6 -","- C49 H54 B Fe N4 O6 -","- C98 H108 B2 Fe2 N8 O12 -","2","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","0.71073","MoKα","","0.0471","0.0399","","","0.1071","0.1127","","","","","","1.039","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719408","10.4201","0.0002","11.6363","0.0003","17.981","0.0004","90","","90","","90","","2180.22","0.09","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 F2 Fe N5 O5 -","- C21 H24 F2 Fe N5 O5 -","- C84 H96 F8 Fe4 N20 O20 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","1.54184","CuKα","","0.0607","0.0537","","","0.1353","0.1461","","","","","","1.066","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719409","7.8924","0.0002","22.0766","0.0005","14.9236","0.0004","90","","90.603","0.002","90","","2600.1","0.11","110","9","110","9","","","","","","","","7","I 1 a 1","I -2ya","9","","","","- C21 H24 Cl Fe I2 N4 O6 -","- C21 H24 Cl Fe I2 N4 O6 -","- C84 H96 Cl4 Fe4 I8 N16 O24 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","0.71073","MoKα","","0.0487","0.0448","","","0.11","0.1144","","","","","","1.046","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719410","10.262","0.0002","15.1756","0.0001","17.0023","0.0003","94.254","0.001","99.193","0.002","91.315","0.003","2604.96","0.07","105","5","105","5","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 Br4 Fe N5 O5 -","- C21 H22 Br4 Fe N5 O5 -","- C84 H88 Br16 Fe4 N20 O20 -","4","2","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","1.54184","CuKα","","0.0431","0.0403","","","0.0841","0.0851","","","","","","1.178","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719411","8.27495","0.00006","20.54207","0.00013","14.3804","0.00009","90","","91.366","0.0006","90","","2443.75","0.03","100","2","100","2","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C21 H24 Cl3 Fe N4 O6 -","- C21 H24 Cl3 Fe N4 O6 -","- C84 H96 Cl12 Fe4 N16 O24 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","1.54184","CuKα","","0.0226","0.0223","","","0.0576","0.0579","","","","","","1.045","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719412","7.6181","0.0002","20.5538","0.0004","15.0666","0.0003","90","","96.636","0.002","90","","2343.34","0.09","105","2","105","2","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C21 H24 Cl2 Fe N5 O5 -","- C21 H24 Cl2 Fe N5 O5 -","- C84 H96 Cl8 Fe4 N20 O20 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","0.71073","MoKα","","0.0359","0.0307","","","0.0623","0.0652","","","","","","1.048","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719413","8.12715","0.00004","21.06361","0.0001","14.63035","0.00007","90","","91.2897","0.0004","90","","2503.89","0.02","100","2","100","2","","","","","","","","7","I 1 a 1","I -2ya","9","","","","- C21 H24 Br2 Cl Fe N4 O6 -","- C21 H24 Br2 Cl Fe N4 O6 -","- C84 H96 Br8 Cl4 Fe4 N16 O24 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","x-ray","1.54184","CuKα","","0.0217","0.0215","","","0.0562","0.0564","","","","","","1.033","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719414","14.5886","0.0002","25.6773","0.0004","15.4561","0.0002","90","","97.7602","0.0016","90","","5736.77","0.14","115","2","115","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H60 Br4 Cl2 Fe2 N8 O17 -","- C47 H60 Br4 Cl2 Fe2 N8 O17 -","- C188 H240 Br16 Cl8 Fe8 N32 O68 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","1.54184","CuKα","","0.0953","0.0517","","","0.1117","0.1346","","","","","","1.012","","","","has coordinates,has disorder","302694","2025-10-06","09:52:10",""
"7719415","12.1749","0.0002","15.7744","0.0003","15.1118","0.0003","90","","103.876","0.002","90","","2817.55","0.09","114","2","114","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Fe N5 O8 -","- C26 H38 Fe N5 O8 -","- C104 H152 Fe4 N20 O32 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","0.71073","MoKα","","0.0553","0.0391","","","0.0806","0.0875","","","","","","1.065","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719416","10.4895","0.0001","16.2317","0.0002","17.0097","0.0001","90","","99.398","0.001","90","","2857.24","0.05","110","5","110","5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl Fe N6 O12 -","- C25 H32 Cl Fe N6 O12 -","- C100 H128 Cl4 Fe4 N24 O48 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","1.54184","CuKα","","0.0445","0.0396","","","0.1063","0.1106","","","","","","1.058","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719417","10.1862","0.0005","15.0379","0.0006","16.9381","0.0005","94.852","0.003","99.286","0.002","92.082","0.004","2548.09","0.18","105","5","105","5","","","","","","","","7","P -1","-P 1","2","","","","- C21 H22 Br2 Cl2 Fe N5 O5 -","- C21 H22 Br2 Cl2 Fe N5 O5 -","- C84 H88 Br8 Cl8 Fe4 N20 O20 -","4","2","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","0.71073","MoKα","","0.0841","0.0576","","","0.0929","0.1002","","","","","","1.152","","","","has coordinates,has disorder","302694","2025-10-06","09:52:10",""
"7719418","10.65","0.0011","18.5302","0.0019","15.3084","0.0015","90","","101.141","0.002","90","","2964.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33.66 Cl Fe N5 O6.33 -","- C31 H33 Cl Fe N5 O6 -","- C124 H132 Cl4 Fe4 N20 O24 -","4","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","0.71073","MoKα","","0.0609","0.0541","","","0.132","0.1363","","","","","","1.083","","","","has coordinates,has disorder","302694","2025-10-06","09:52:10",""
"7719419","10.918","0.0002","14.9925","0.0004","16.8669","0.0003","94.646","0.002","100.438","0.002","91.507","0.002","2703.94","0.1","105","2","105","2","","","","","","","","7","P -1","-P 1","2","","","","- C21.25 H23.5 Br2 Cl3 Fe N4 O6.5 -","- C21 H22 Br2 Cl3 Fe N4 O6 -","- C84 H88 Br8 Cl12 Fe4 N16 O24 -","4","2","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","x-ray","1.54184","CuKα","","0.0561","0.051","","","0.1259","0.1292","","","","","","1.088","","","","has coordinates,has disorder","302694","2025-10-06","09:52:10",""
"7719420","12.858","0.0004","14.0569","0.0005","17.2548","0.0005","74.685","0.003","73.576","0.003","71.684","0.003","2786.78","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H34 Cl Fe N4 O6 -","- C27 H34 Cl Fe N4 O6 -","- C108 H136 Cl4 Fe4 N16 O24 -","4","2","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","x-ray","1.54184","CuKα","","0.0639","0.0525","","","0.1463","0.1535","","","","","","1.053","","","","has coordinates","302694","2025-10-06","09:52:10",""
"7719421","6.31885","0.00015","6.31885","0.00015","12.3082","0.0006","90","","90","","120","","425.6","0.03","293","","293","","0.05425","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","1.78032","1.28931","","","","","","","has coordinates","303766","2025-11-29","20:38:30",""
"7719422","6.30601","0.00017","6.30601","0.00017","12.2893","0.0007","90","","90","","120","","423.22","0.03","293","","293","","0.90088","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","1.97751","1.68789","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719423","6.2891","0.0003","6.2891","0.0003","12.2663","0.001","90","","90","","120","","420.17","0.04","293","","293","","2.08611","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","2.83605","1.14752","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719424","6.3002","0.0002","6.3002","0.0002","12.2801","0.0009","90","","90","","120","","422.13","0.04","293","","293","","1.24772","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","2.13244","1.06809","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719425","6.2933","0.0003","6.2933","0.0003","12.2705","0.001","90","","90","","120","","420.87","0.04","293","","293","","1.77071","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","2.21448","1.11262","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719426","6.242","0.0004","6.242","0.0004","12.1884","0.0015","90","","90","","120","","411.27","0.06","293","","293","","5.75666","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","3.45189","2.05938","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719427","6.27","0.0003","6.27","0.0003","12.2342","0.0012","90","","90","","120","","416.53","0.05","293","","293","","3.54223","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","2.9115","1.13822","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719428","6.2568","0.0004","6.2568","0.0004","12.2119","0.0015","90","","90","","120","","414.02","0.06","293","","293","","4.63408","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","3.67579","1.15562","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719429","6.2492","0.0003","6.2492","0.0003","12.2004","0.0014","90","","90","","120","","412.62","0.06","293","","293","","5.23363","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","3.45987","1.84952","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719430","6.31718","0.00016","6.31718","0.00016","12.3065","0.0006","90","","90","","120","","425.32","0.03","293","","293","","0.14391","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","1.77761","1.27211","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719431","6.2807","0.0003","6.2807","0.0003","12.2516","0.0011","90","","90","","120","","418.54","0.05","293","","293","","2.68368","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","2.80823","1.11006","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719432","6.2773","0.0003","6.2773","0.0003","12.2477","0.0012","90","","90","","120","","417.96","0.05","293","","293","","2.98125","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","2.68737","1.13355","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719433","6.266","0.0003","6.266","0.0003","12.2284","0.0011","90","","90","","120","","415.8","0.05","293","","293","","3.86742","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","3.0968","2.03741","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719434","6.253","0.0004","6.253","0.0004","12.2078","0.0017","90","","90","","120","","413.38","0.07","293","","293","","4.89768","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","3.42159","1.15077","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719435","6.2971","0.0002","6.2971","0.0002","12.2783","0.0009","90","","90","","120","","421.65","0.04","293","","293","","1.47305","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","2.51269","1.08263","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719436","6.2734","0.0003","6.2734","0.0003","12.2417","0.0012","90","","90","","120","","417.23","0.05","293","","293","","3.26987","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","3.0593","1.1068","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719437","6.2842","0.0002","6.2842","0.0002","12.2575","0.0009","90","","90","","120","","419.21","0.04","293","","293","","2.41762","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","2.61549","1.81674","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719438","6.2598","0.0004","6.2598","0.0004","12.2175","0.0014","90","","90","","120","","414.6","0.06","293","","293","","4.34746","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","3.16039","1.12736","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719439","6.2461","0.0005","6.2461","0.0005","12.1945","0.0018","90","","90","","120","","412.01","0.08","293","","293","","5.41216","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","3.5683","1.12946","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719440","6.2616","0.0004","6.2616","0.0004","12.2238","0.0014","90","","90","","120","","415.06","0.06","293","","293","","4.18361","","","","","","","3","P 63 c m","P 6c -2","185","Terbium indium oxide","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy","Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15696","15700","10.1039/d5dt01863c","powder diffraction","","","Neutron","","","","","","","","","3.48403","1.16798","","","","","","","has coordinates","303766","2025-11-29","20:38:32",""
"7719441","14.5783","0.0003","17.6445","0.0003","13.5823","0.0002","90","","90","","90","","3493.73","0.11","230","0.11","230","0.11","","","","","","","","4","C m c m","-C 2c 2","63","","","","- I15 Li3 Nb7 O5 -","- I15 Li3 Nb7 O5 -","- I60 Li12 Nb28 O20 -","4","0.25","","Beitlberger, Jan; Ströbele, Markus; Schmidt, Patrick; Romao, Carl P.; Meyer, H-Jürgen","Niobium oxyiodide cluster compounds Li<sub>3</sub>Nb<sub>7</sub>O<sub>5</sub>I<sub>15</sub> and Nb<sub>8</sub>O<sub>5</sub>I<sub>17</sub>(NbI<sub>5</sub>) with expanding cluster architectures and multicentre Nb-Nb bonding.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14376","14383","10.1039/d5dt01819f","","x-ray","1.54184","CuKα","","0.0221","0.0197","","","0.0534","0.0544","","","","","","1.06","","","","has coordinates","302693","2025-10-06","09:51:02",""
"7719442","11.4282","0.0004","13.4336","0.0006","31.5794","0.0012","90","","90","","90","","4848.1","0.3","200","0.3","200","0.3","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- I22.37 Nb9 O5 -","- I22.383 Nb9 O5 -","- I89.532 Nb36 O20 -","4","0.5","","Beitlberger, Jan; Ströbele, Markus; Schmidt, Patrick; Romao, Carl P.; Meyer, H-Jürgen","Niobium oxyiodide cluster compounds Li<sub>3</sub>Nb<sub>7</sub>O<sub>5</sub>I<sub>15</sub> and Nb<sub>8</sub>O<sub>5</sub>I<sub>17</sub>(NbI<sub>5</sub>) with expanding cluster architectures and multicentre Nb-Nb bonding.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14376","14383","10.1039/d5dt01819f","","x-ray","1.54184","CuKα","","0.0366","0.0274","","","0.0516","0.0539","","","","","","1.036","","","","has coordinates,has disorder","302693","2025-10-06","09:51:02",""
"7719443","6.4348","0.0004","6.4348","0.0004","6.4348","0.0004","90","","90","","90","","266.44","0.03","293","","293","","","","","","","","","3","P 41 3 2","P 4bd 2ab 3","213","","","","- Ga0.053 Mn0.798 Zn0.148 -","- Ga0.05322 Mn0.79876 Zn0.14802 -","- Ga1.0644 Mn15.9752 Zn2.9604 -","20","0.833333","","Pan, Rahul; Saraswati, Anyesh; Mondal, Amit; Biswal, Pujalin; Samal, Debakanta; Kumar, Nitesh; Jana, Partha Pratim","Unusual magnetic and transport properties of heavily disordered Mn-Zn-M (M = Ga and Sn) alloys with a β-Mn-type chiral structure.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14469","14479","10.1039/d5dt01357g","","x-ray","0.71073","MoKα","","0.021","0.0176","","","0.0401","0.0425","","","","1.24","1.24","1.27","","","","has coordinates","302696","2025-10-06","09:53:23",""
"7719444","6.3928","0.0004","6.3928","0.0004","6.3928","0.0004","90","","90","","90","","261.26","0.03","293","","293","","","","","","","","","2","P 41 3 2","P 4bd 2ab 3","213","","","","- Mn0.917 Zn0.083 -","- Mn0.91684 Zn0.08316 -","- Mn18.3368 Zn1.6632 -","20","0.833333","","Pan, Rahul; Saraswati, Anyesh; Mondal, Amit; Biswal, Pujalin; Samal, Debakanta; Kumar, Nitesh; Jana, Partha Pratim","Unusual magnetic and transport properties of heavily disordered Mn-Zn-M (M = Ga and Sn) alloys with a β-Mn-type chiral structure.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14469","14479","10.1039/d5dt01357g","","x-ray","0.71073","MoKα","","0.018","0.0164","","","0.0436","0.0441","","","","1.43","1.43","1.43","","","","has coordinates","302696","2025-10-06","09:53:24",""
"7719445","6.397","0.0004","6.397","0.0004","6.397","0.0004","90","","90","","90","","261.78","0.03","293","","293","","","","","","","","","2","P 41 3 2","P 4bd 2ab 3","213","","","","- Ga0.145 Mn0.855 -","- Ga0.14484 Mn0.85516 -","- Ga2.8968 Mn17.1032 -","20","0.833333","","Pan, Rahul; Saraswati, Anyesh; Mondal, Amit; Biswal, Pujalin; Samal, Debakanta; Kumar, Nitesh; Jana, Partha Pratim","Unusual magnetic and transport properties of heavily disordered Mn-Zn-M (M = Ga and Sn) alloys with a β-Mn-type chiral structure.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14469","14479","10.1039/d5dt01357g","","x-ray","0.71073","MoKα","","0.0137","0.0127","","","0.0317","0.032","","","","1.04","1.04","1.03","","","","has coordinates","302696","2025-10-06","09:53:24",""
"7719446","6.3924","0.0004","6.3924","0.0004","6.3924","0.0004","90","","90","","90","","261.21","0.03","293","","293","","","","","","","","","3","P 41 3 2","P 4bd 2ab 3","213","","","","- Ga0.102 Mn0.849 Zn0.049 -","- Ga0.10188 Mn0.84874 Zn0.04932 -","- Ga2.0376 Mn16.9748 Zn0.9864 -","20","0.833333","","Pan, Rahul; Saraswati, Anyesh; Mondal, Amit; Biswal, Pujalin; Samal, Debakanta; Kumar, Nitesh; Jana, Partha Pratim","Unusual magnetic and transport properties of heavily disordered Mn-Zn-M (M = Ga and Sn) alloys with a β-Mn-type chiral structure.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14469","14479","10.1039/d5dt01357g","","x-ray","0.71073","MoKα","","0.016","0.0146","","","0.0367","0.0373","","","","1.17","1.17","1.17","","","","has coordinates","302696","2025-10-06","09:53:24",""
"7719447","6.498","0.0003","6.498","0.0003","6.498","0.0003","90","","90","","90","","274.37","0.02","293","","293","","","","","","","","","3","P 41 3 2","P 4bd 2ab 3","213","","","","- Mn0.797 Sn0.05 Zn0.152 -","- Mn0.79678 Sn0.04974 Zn0.15228 -","- Mn15.9356 Sn0.9948 Zn3.0456 -","20","0.833333","","Pan, Rahul; Saraswati, Anyesh; Mondal, Amit; Biswal, Pujalin; Samal, Debakanta; Kumar, Nitesh; Jana, Partha Pratim","Unusual magnetic and transport properties of heavily disordered Mn-Zn-M (M = Ga and Sn) alloys with a β-Mn-type chiral structure.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14469","14479","10.1039/d5dt01357g","","x-ray","0.71073","MoKα","","0.0131","0.0125","","","0.0354","0.0354","","","","1.18","1.18","1.17","","","","has coordinates","302696","2025-10-06","09:53:24",""
"7719448","6.4271","0.0001","6.4271","0.0001","6.4271","0.0001","90","","90","","90","","265.488","0.007","293","","293","","","","","","","","","3","P 41 3 2","P 4bd 2ab 3","213","","","","- Ga0.1 Mn0.801 Zn0.1 -","- Ga0.0996 Mn0.80068 Zn0.09966 -","- Ga1.992 Mn16.0136 Zn1.9932 -","20","0.833333","","Pan, Rahul; Saraswati, Anyesh; Mondal, Amit; Biswal, Pujalin; Samal, Debakanta; Kumar, Nitesh; Jana, Partha Pratim","Unusual magnetic and transport properties of heavily disordered Mn-Zn-M (M = Ga and Sn) alloys with a β-Mn-type chiral structure.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14469","14479","10.1039/d5dt01357g","","x-ray","0.71073","MoKα","","0.0539","0.035","","","0.0674","0.0741","","","","1.63","1.63","1.66","","","","has coordinates","302696","2025-10-06","09:53:24",""
"7719449","6.4181","0.0004","6.4181","0.0004","6.4181","0.0004","90","","90","","90","","264.37","0.03","293","","293","","","","","","","","","3","P 41 3 2","P 4bd 2ab 3","213","","","","- Ga0.151 Mn0.796 Zn0.053 -","- Ga0.15078 Mn0.796 Zn0.05322 -","- Ga3.0156 Mn15.92 Zn1.0644 -","20","0.833333","","Pan, Rahul; Saraswati, Anyesh; Mondal, Amit; Biswal, Pujalin; Samal, Debakanta; Kumar, Nitesh; Jana, Partha Pratim","Unusual magnetic and transport properties of heavily disordered Mn-Zn-M (M = Ga and Sn) alloys with a β-Mn-type chiral structure.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14469","14479","10.1039/d5dt01357g","","x-ray","0.71073","MoKα","","0.017","0.0155","","","0.0405","0.0416","","","","1.22","1.22","1.24","","","","has coordinates","302696","2025-10-06","09:53:24",""
"7719450","10.8576","0.0003","11.1524","0.0003","19.2488","0.0005","89.207","0.002","79.956","0.002","72.988","0.002","2192.95","0.11","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H39 Fe2 N O6 P2 S2 -","- C48 H39 Fe2 N O6 P2 S2 -","- C96 H78 Fe4 N2 O12 P4 S4 -","2","1","","Mele, Andrea; Arrigoni, Federica; Elleouet, Catherine; Pétillon, François Y; Schollhammer, Philippe; Zampella, Giuseppe","Use of the 2,3-bis(diphenylphosphino)-<i>N</i>-phenylmaleimide ligand as a redox [Fe<sub>4</sub>S<sub>4</sub>] cubane surrogate in di-iron complexes related to [FeFe]-hydrogenases: influence of the dithiolate bridge on the redox behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15188","15196","10.1039/d5dt01543j","","x-ray","0.71073","MoKα","","0.0786","0.055","","","0.136","0.1538","","","","","","1.051","","","","has coordinates,has disorder","303811","2025-11-29","21:00:52",""
"7719451","11.198","0.0009","11.2708","0.0008","24.0003","0.0017","100.05","0.006","98.719","0.007","101.838","0.007","2863.5","0.4","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C129 H112 Fe4 N4 O12 P4 S4 -","- C129 H112 Fe4 N4 O12 P4 S4 -","- C129 H112 Fe4 N4 O12 P4 S4 -","1","0.5","","Mele, Andrea; Arrigoni, Federica; Elleouet, Catherine; Pétillon, François Y; Schollhammer, Philippe; Zampella, Giuseppe","Use of the 2,3-bis(diphenylphosphino)-<i>N</i>-phenylmaleimide ligand as a redox [Fe<sub>4</sub>S<sub>4</sub>] cubane surrogate in di-iron complexes related to [FeFe]-hydrogenases: influence of the dithiolate bridge on the redox behaviour.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15188","15196","10.1039/d5dt01543j","","x-ray","0.71073","MoKα","","0.1879","0.0905","","","0.1639","0.2132","","","","","","0.982","","","","has coordinates,has disorder","303811","2025-11-29","21:00:53",""
"7719452","16.7253","0.0002","16.7253","0.0002","13.1053","0.0002","90","","90","","120","","3174.87","0.07","100","0.1","100","0.1","","","","","","","","6","P 65","P 65","170","","","","- C16 H25.83 I2 O3.42 P Ru -","- C16 H25 I2 O3 P Ru -","- C96 H150 I12 O18 P6 Ru6 -","6","1","","Quillian, Brandon; Marks, Allison; Musso, Kennedy; Durrell, George; Bazemore, Joseph; Padgett, Clifford W.; Fields, Alexis; Zurwell, Dane","On the chemistry of <i>p</i>-cymene ruthenium iodide complexes: entry into octahedral phenylated ruthenium(II) complexes supported by chelating bidentate N,N'-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15025","15042","10.1039/d5dt01437a","","x-ray","1.54184","CuKα","","0.0422","0.0408","","","0.1069","0.108","","","","","","1.03","","","","has coordinates","303810","2025-11-29","21:00:35",""
"7719453","18.4697","0.0001","7.90641","0.00005","15.80923","0.00009","90","","93.2955","0.0006","90","","2304.79","0.02","295.53","0.17","295.53","0.17","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 I O3 P Ru -","- C22 H30 I O3 P Ru -","- C88 H120 I4 O12 P4 Ru4 -","4","1","","Quillian, Brandon; Marks, Allison; Musso, Kennedy; Durrell, George; Bazemore, Joseph; Padgett, Clifford W.; Fields, Alexis; Zurwell, Dane","On the chemistry of <i>p</i>-cymene ruthenium iodide complexes: entry into octahedral phenylated ruthenium(II) complexes supported by chelating bidentate N,N'-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15025","15042","10.1039/d5dt01437a","","x-ray","1.54184","CuKα","","0.0273","0.0248","","","0.0599","0.0612","","","","","","1.059","","","","has coordinates","303810","2025-11-29","21:00:36",""
"7719454","11.2894","0.0002","11.7288","0.0001","11.8593","0.0002","110.63","0.001","101.525","0.001","90.582","0.001","1434.41","0.04","278","4","278","4","","","","","","","","7","P -1","-P 1","2","","","","- C22 H31 I N5 O3 P Ru -","- C22 H31 I N5 O3 P Ru -","- C44 H62 I2 N10 O6 P2 Ru2 -","2","1","","Quillian, Brandon; Marks, Allison; Musso, Kennedy; Durrell, George; Bazemore, Joseph; Padgett, Clifford W.; Fields, Alexis; Zurwell, Dane","On the chemistry of <i>p</i>-cymene ruthenium iodide complexes: entry into octahedral phenylated ruthenium(II) complexes supported by chelating bidentate N,N'-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15025","15042","10.1039/d5dt01437a","","x-ray","1.54184","CuKα","","0.0389","0.0346","","","0.089","0.0917","","","","","","1.094","","","","has coordinates,has disorder","303810","2025-11-29","21:00:36",""
"7719455","12.979","0.009","13.986","0.011","16.266","0.011","113.08","0.008","90.305","0.009","100.329","0.004","2663","3","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H37 B F24 I O3 P Ru -","- C48 H37 B F24 I O3 P Ru -","- C96 H74 B2 F48 I2 O6 P2 Ru2 -","2","1","","Quillian, Brandon; Marks, Allison; Musso, Kennedy; Durrell, George; Bazemore, Joseph; Padgett, Clifford W.; Fields, Alexis; Zurwell, Dane","On the chemistry of <i>p</i>-cymene ruthenium iodide complexes: entry into octahedral phenylated ruthenium(II) complexes supported by chelating bidentate N,N'-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15025","15042","10.1039/d5dt01437a","","","0.71075","MoKα","","0.0732","0.0592","","","0.1532","0.1672","","","","","","1.043","","","","has coordinates,has disorder","303810","2025-11-29","21:00:36",""
"7719456","14.026","0.003","14.2764","0.0018","34.33","0.013","90","","93.04","0.03","90","","6865","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H55 B F24 N4 O5 P Ru -","- C52 H39 B F24 N4 O3 P Ru -","- C208 H156 B4 F96 N16 O12 P4 Ru4 -","4","1","","Quillian, Brandon; Marks, Allison; Musso, Kennedy; Durrell, George; Bazemore, Joseph; Padgett, Clifford W.; Fields, Alexis; Zurwell, Dane","On the chemistry of <i>p</i>-cymene ruthenium iodide complexes: entry into octahedral phenylated ruthenium(II) complexes supported by chelating bidentate N,N'-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15025","15042","10.1039/d5dt01437a","","","0.71073","MoKα","","0.2413","0.1278","","","0.3208","0.4115","","","","","","0.942","","","","has coordinates,has disorder","303810","2025-11-29","21:00:36",""
"7719457","9.5761","0.0004","19.1778","0.0007","21.841","0.0008","91.479","0.003","91.721","0.003","99.826","0.003","3948.5","0.3","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C74 H70 B F24 N4 O3 P Ru -","- C74 H70 B F24 N4 O3 P Ru -","- C148 H140 B2 F48 N8 O6 P2 Ru2 -","2","1","","Quillian, Brandon; Marks, Allison; Musso, Kennedy; Durrell, George; Bazemore, Joseph; Padgett, Clifford W.; Fields, Alexis; Zurwell, Dane","On the chemistry of <i>p</i>-cymene ruthenium iodide complexes: entry into octahedral phenylated ruthenium(II) complexes supported by chelating bidentate N,N'-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15025","15042","10.1039/d5dt01437a","","","0.71073","MoKα","","0.1323","0.0935","","","0.2522","0.2957","","","","","","1.03","","","","has coordinates,has disorder","303810","2025-11-29","21:00:36",""
"7719458","14.666","0.005","20.87","0.005","19.989","0.005","90","0.005","109.804","0.005","90","0.005","5756","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H37 Ba2 Cl N20 O26 -","- C45 H37 Ba2 Cl N20 O26 -","- C180 H148 Ba8 Cl4 N80 O104 -","4","1","","Cao, Jia; Gu, Jia-Yu; Ding, Wen-Ya; Chen, Xin-Ran; Hua, Zi-Yi; Chen, Kai","Carboxylate ligand-directed synthesis of cucurbit[5]uril-based coordination polymers for the detection of norfloxacin.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15197","15205","10.1039/d5dt01769f","","","0.71069","MoKα","","0.0555","0.0459","","","0.1516","0.1577","","","","","","1.058","","","","has coordinates","303805","2025-11-29","20:58:35",""
"7719459","16.038","0.005","25.832","0.005","17.773","0.005","90","0.005","101.694","0.005","90","0.005","7210","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H21 Ca N12 O16 -","- C29 H21 Ca N12 O16 -","- C232 H168 Ca8 N96 O128 -","8","1","","Cao, Jia; Gu, Jia-Yu; Ding, Wen-Ya; Chen, Xin-Ran; Hua, Zi-Yi; Chen, Kai","Carboxylate ligand-directed synthesis of cucurbit[5]uril-based coordination polymers for the detection of norfloxacin.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15197","15205","10.1039/d5dt01769f","","","0.71069","MoKα","","0.0573","0.0485","","","0.1457","0.1522","","","","","","1.065","","","","has coordinates","303805","2025-11-29","20:58:36",""
"7719460","22.661","0.004","39.136","0.007","14.285","0.002","90","","90","","90","","12669","4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C76 H66 Ba4 Cl4 N40 O33 -","- C76 H66 Ba4 Cl4 N40 O33 -","- C304 H264 Ba16 Cl16 N160 O132 -","4","1","","Cao, Jia; Gu, Jia-Yu; Ding, Wen-Ya; Chen, Xin-Ran; Hua, Zi-Yi; Chen, Kai","Carboxylate ligand-directed synthesis of cucurbit[5]uril-based coordination polymers for the detection of norfloxacin.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15197","15205","10.1039/d5dt01769f","","","0.71073","MoKα","","0.1526","0.0681","","","0.1314","0.1454","","","","","","1.025","","","","has coordinates,has disorder","303805","2025-11-29","20:58:36",""
"7719461","10.548","0.0005","11.204","0.0008","15.0999","0.0007","109.623","0.005","104.315","0.004","97.684","0.005","1582.08","0.17","124","30","124","30","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cl2 Dy N5 O14 -","- C26 H24 Cl2 Dy N5 O14 -","- C52 H48 Cl4 Dy2 N10 O28 -","2","1","","Ma, Fang; Zhang, Lei; Yang, Chan; Huang, Zhen-Na; Huang, XiaoXiao; Sun, Hao-Ling","Effect of a bromo-substituent on the magnetization dynamics of dysprosium coordination polymers constructed using a hybrid-ligand concept.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15529","15536","10.1039/d5dt01924a","","x-ray","0.71073","MoKα","","0.0639","0.0534","","","0.1119","0.12","","","","","","1.015","","","","has coordinates","303741","2025-11-29","20:17:45",""
"7719462","11.5744","0.0006","13.3322","0.0006","15.1448","0.0009","105.931","0.005","95.444","0.004","107.157","0.004","2107.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C35 H40 Br Cl2 Dy N6 O18 -","- C35 H40 Br Cl2 Dy N6 O18 -","- C70 H80 Br2 Cl4 Dy2 N12 O36 -","2","1","","Ma, Fang; Zhang, Lei; Yang, Chan; Huang, Zhen-Na; Huang, XiaoXiao; Sun, Hao-Ling","Effect of a bromo-substituent on the magnetization dynamics of dysprosium coordination polymers constructed using a hybrid-ligand concept.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15529","15536","10.1039/d5dt01924a","","x-ray","0.71073","MoKα","","0.0705","0.0524","","","0.0992","0.1109","","","","","","1.029","","","","has coordinates","303741","2025-11-29","20:17:46",""
"7719463","10.124","0.002","9.3713","0.0019","11.796","0.002","90","","104.53","0.03","90","","1083.4","0.4","100","0.2","100","0.2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C20 H22 Br2 N6 Pd -","- C20 H22 Br2 N6 Pd -","- C40 H44 Br4 N12 Pd2 -","2","0.5","","Kovacevic, Anes; Parkin, Sean; Baltisberger, Jay H.","Synthesis of Pd(II)-NHC complexes <i>via</i> C-H oxidative addition of triazolium salts to Pd(0).","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13863","13868","10.1039/d5dt01695a","","","0.71073","MoKα","","0.0178","0.0155","","","0.0392","0.0401","","","","","","1.057","","","","has coordinates","302605","2025-10-06","09:05:19",""
"7719464","8.5704","0.0002","11.0703","0.0003","14.3824","0.0004","90","","98.478","0.001","90","","1349.65","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Br2 N6 Pd -","- C26 H34 Br2 N6 Pd -","- C52 H68 Br4 N12 Pd2 -","2","0.5","","Kovacevic, Anes; Parkin, Sean; Baltisberger, Jay H.","Synthesis of Pd(II)-NHC complexes <i>via</i> C-H oxidative addition of triazolium salts to Pd(0).","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13863","13868","10.1039/d5dt01695a","","","0.71073","MoKα","","0.0194","0.0165","","","0.0358","0.0367","","","","","","1.048","","","","has coordinates,has disorder","302605","2025-10-06","09:05:20",""
"7719465","21.8207","0.0005","9.085","0.0002","14.5686","0.0003","90","","103.513","0.001","90","","2808.14","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Br2 N6 Pd -","- C26 H34 Br2 N6 Pd -","- C104 H136 Br8 N24 Pd4 -","4","1","","Kovacevic, Anes; Parkin, Sean; Baltisberger, Jay H.","Synthesis of Pd(II)-NHC complexes <i>via</i> C-H oxidative addition of triazolium salts to Pd(0).","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13863","13868","10.1039/d5dt01695a","","","0.71073","MoKα","","0.0339","0.0245","","","0.0484","0.0502","","","","","","1.045","","","","has coordinates","302605","2025-10-06","09:05:20",""
"7719466","15.5734","0.0004","15.6178","0.0004","31.5485","0.0008","86.002","0.002","78.359","0.002","89.766","0.002","7496.8","0.3","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C130.25 H156.5 Cl24.5 Cu4 N4 O8 P4 -","- C130.25 H156.5 Cl24.5 Cu4 N4 O8 P4 -","- C260.5 H313 Cl49 Cu8 N8 O16 P8 -","2","1","","Naina, Vanitha R.; Shubham, ?; Rönicke, Franziska; Wagenknecht, Hans-Achim; Roesky, Peter W.","Phosphinoamine coinage metal complexes with a coumarin fluorophore: synthesis, characterization, and <i>in vitro</i> (photo)cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14701","14709","10.1039/d5dt01532d","","","0.71073","MoKα","","0.0516","0.0381","","","0.0891","0.0957","","","","","","1.014","","","","has coordinates,has disorder","303774","2025-11-29","20:45:00",""
"7719467","8.6767","0.0004","15.3577","0.0004","28.0869","0.0011","90","","90.316","0.003","90","","3742.6","0.2","100","","100","","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C72 H92 Au F6 N2 O7 P2 Sb -","- C60 H68 Au F6 N2 O4 P2 Sb -","- C120 H136 Au2 F12 N4 O8 P4 Sb2 -","2","0.5","","Naina, Vanitha R.; Shubham, ?; Rönicke, Franziska; Wagenknecht, Hans-Achim; Roesky, Peter W.","Phosphinoamine coinage metal complexes with a coumarin fluorophore: synthesis, characterization, and <i>in vitro</i> (photo)cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14701","14709","10.1039/d5dt01532d","","x-ray","0.71073","MoKα","","0.0702","0.0476","","","0.119","0.1326","","","","","","1.018","","","","has coordinates,has disorder","303774","2025-11-29","20:45:02",""
"7719468","12.329","0.004","13.557","0.004","14.982","0.005","90","","90","","90","","2504.2","1.4","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H43 Ge Mn O2 P4 -","- C17 H43 Ge Mn O2 P4 -","- C68 H172 Ge4 Mn4 O8 P16 -","4","1","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene hydride complexes: reactivity with carbon dioxide, benzophenone, and diisopropylcarbodiimide.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14821","14837","10.1039/d5dt01701g","","","0.71073","","","0.0623","0.0387","","","0.0773","0.0851","","","","","","0.994","","","","has coordinates,has disorder","303781","2025-11-29","20:48:08",""
"7719469","18.771","0.003","9.163","0.002","19.523","0.006","90","","95.39","0.02","90","","3343.1","1.4","100","","100","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C29 H53 Ge Mn O P4 -","- C29 H53 Ge Mn O P4 -","- C116 H212 Ge4 Mn4 O4 P16 -","4","1","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene hydride complexes: reactivity with carbon dioxide, benzophenone, and diisopropylcarbodiimide.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14821","14837","10.1039/d5dt01701g","","","0.71073","MoKα","","0.0435","0.0359","","","0.0903","0.0944","","","","","","1.039","","","","has coordinates,has disorder","303781","2025-11-29","20:48:09",""
"7719470","9.701","0.002","21.913","0.007","15.605","0.0018","90","","100.705","0.013","90","","3259.5","1.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H53 Mn N2 O2 P4 Si -","- C26 H53 Mn N2 O2 P4 Si -","- C104 H212 Mn4 N8 O8 P16 Si4 -","4","1","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene hydride complexes: reactivity with carbon dioxide, benzophenone, and diisopropylcarbodiimide.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14821","14837","10.1039/d5dt01701g","","","0.71073","MoKα","","0.039","0.0316","","","0.0763","0.0796","","","","","","1.037","","","","has coordinates,has disorder","303781","2025-11-29","20:48:09",""
"7719471","9.024","0.003","16.548","0.008","17.7","0.007","90","","90","","90","","2643.1","1.9","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H43 Ge Mn O4 P4 -","- C18 H43 Ge Mn O4 P4 -","- C72 H172 Ge4 Mn4 O16 P16 -","4","1","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene hydride complexes: reactivity with carbon dioxide, benzophenone, and diisopropylcarbodiimide.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14821","14837","10.1039/d5dt01701g","","","0.71073","MoKα","","0.1009","0.0656","","","0.1557","0.1739","","","","","","1.03","","","","has coordinates","303781","2025-11-29","20:48:09",""
"7719472","18.847","0.007","14.761","0.006","10.53","0.004","90","","90","","90","","2929","2","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H48 Ge Mn N P4 -","- C23 H48 Ge Mn N P4 -","- C92 H192 Ge4 Mn4 N4 P16 -","4","1","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene hydride complexes: reactivity with carbon dioxide, benzophenone, and diisopropylcarbodiimide.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14821","14837","10.1039/d5dt01701g","","","0.71073","MoKα","","0.0667","0.0425","","","0.0872","0.0959","","","","","","0.967","","","","has coordinates,has disorder","303781","2025-11-29","20:48:09",""
"7719473","18.768","0.004","10.268","0.004","16.9042","0.0017","90","","90","","90","","3257.6","1.5","100","","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C24 H57 Ge Mn N2 O2 P4 -","- C24 H57 Ge Mn N2 O2 P4 -","- C96 H228 Ge4 Mn4 N8 O8 P16 -","4","1","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene hydride complexes: reactivity with carbon dioxide, benzophenone, and diisopropylcarbodiimide.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14821","14837","10.1039/d5dt01701g","","","0.71073","MoKα","","0.0528","0.046","","","0.1192","0.1236","","","","","","1.041","","","","has coordinates","303781","2025-11-29","20:48:09",""
"7719474","12.406","0.005","14.09","0.006","17.415","0.007","89.364","0.019","74.516","0.018","89.79","0.02","2933","2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H48 Ge Mn N P4 -","- C23 H48 Ge Mn N P4 -","- C92 H192 Ge4 Mn4 N4 P16 -","4","2","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene hydride complexes: reactivity with carbon dioxide, benzophenone, and diisopropylcarbodiimide.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14821","14837","10.1039/d5dt01701g","","","0.71073","MoKα","","0.0726","0.0545","","","0.1358","0.1457","","","","","","1.054","","","","has coordinates","303781","2025-11-29","20:48:09",""
"7719475","25.006","0.016","13.575","0.005","23.674","0.008","90","","118.09","0.03","90","","7090","6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H57 Ge Mn N2 P4 -","- C31 H57 Ge Mn N2 P4 -","- C248 H456 Ge8 Mn8 N16 P32 -","8","2","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene hydride complexes: reactivity with carbon dioxide, benzophenone, and diisopropylcarbodiimide.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14821","14837","10.1039/d5dt01701g","","","0.71073","MoKα","","0.0978","0.074","","","0.165","0.181","","","","","","1.026","","","","has coordinates","303781","2025-11-29","20:48:09",""
"7719476","10.372","0.005","16.975","0.004","17.653","0.006","75.45","0.03","87.95","0.017","80.212","0.01","2964.5","1.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H52 Ge Mn N P4 -","- C21 H52 Ge Mn N P4 -","- C84 H208 Ge4 Mn4 N4 P16 -","4","2","","Price, Jeffrey S.; Emslie, David J. H.","Manganese germylene hydride complexes: reactivity with carbon dioxide, benzophenone, and diisopropylcarbodiimide.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14821","14837","10.1039/d5dt01701g","","","0.71073","MoKα","","0.0623","0.0452","","","0.107","0.1135","","","","","","1.057","","","","has coordinates,has disorder","303781","2025-11-29","20:48:09",""
"7719477","9.855","0.0015","10.5806","0.0016","28.689","0.004","90","","96.195","0.002","90","","2974","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H37 Cl3 N3 O Rh -","- C28 H34 N3 O Rh -","- C112 H136 N12 O4 Rh4 -","4","1","","Karataş, Mert Olgun; Hinojosa, Diego R.; Passarelli, Vincenzo; Oro, Luis A.; Pérez-Torrente, Jesús J; Castarlenas, Ricardo","Rhodium(I) complexes with proton-responsive anionic tethered N-heterocyclic carbene ligands: synthesis and application in alkyne dimerization.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15306","15319","10.1039/d5dt01516b","","","0.71073","MoKα","","0.0605","0.0469","","","0.1015","0.1061","","","","","","1.125","","","","has coordinates","303812","2025-11-29","21:01:14",""
"7719478","11.9779","0.0006","14.1815","0.0007","14.4172","0.0009","90","","100.042","0.002","90","","2411.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Br Cl3 N3 O -","- C21 H25 Br Cl3 N3 O -","- C84 H100 Br4 Cl12 N12 O4 -","4","1","","Karataş, Mert Olgun; Hinojosa, Diego R.; Passarelli, Vincenzo; Oro, Luis A.; Pérez-Torrente, Jesús J; Castarlenas, Ricardo","Rhodium(I) complexes with proton-responsive anionic tethered N-heterocyclic carbene ligands: synthesis and application in alkyne dimerization.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15306","15319","10.1039/d5dt01516b","","","0.71073","MoKα","","0.0552","0.0481","","","0.1201","0.124","","","","","","1.061","","","","has coordinates,has disorder","303812","2025-11-29","21:01:15",""
"7719479","33.795","0.004","11.1748","0.0012","18.4247","0.0019","90","","119.006","0.001","90","","6085.4","1.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H47 N3 O Rh -","- C32 H40 N3 O Rh -","- C256 H320 N24 O8 Rh8 -","8","1","","Karataş, Mert Olgun; Hinojosa, Diego R.; Passarelli, Vincenzo; Oro, Luis A.; Pérez-Torrente, Jesús J; Castarlenas, Ricardo","Rhodium(I) complexes with proton-responsive anionic tethered N-heterocyclic carbene ligands: synthesis and application in alkyne dimerization.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15306","15319","10.1039/d5dt01516b","","","0.71073","MoKα","","0.0504","0.0302","","","0.0661","0.0753","","","","","","1.038","","","","has coordinates","303812","2025-11-29","21:01:15",""
"7719480","11.2212","0.0006","11.2212","0.0006","15.5998","0.0007","90","","90","","120","","1701.09","0.15","273.15","","273.15","","","","","","","","","5","R -3 :H","-R 3","148","","1","","- B18 Ce Li2 O30 Rb -","- B18 Ce Li2 O30 Rb -","- B54 Ce3 Li6 O90 Rb3 -","3","0.166667","","Wang, Xiaoming; Zhang, Zhiyuan; Lu, Juanjuan; Zhang, Feng; Pan, Shilie","Li<sub>2</sub>CeRbB<sub>18</sub>O<sub>30</sub> and Li<sub>2</sub>Cs<sub>2</sub>SrB<sub>18</sub>O<sub>30</sub>: promising low-birefringence materials for UV and deep UV zero-order waveplates.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14969","14975","10.1039/d5dt01706h","","","0.71073","MoKα","","0.0185","0.018","","","0.0455","0.0456","","","","","","1.198","","","","has coordinates","303770","2025-11-29","20:40:37",""
"7719481","8.3581","0.0004","8.4054","0.0004","16.8972","0.0008","90","","93.345","0.002","90","","1185.06","0.1","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Li2Cs2SrB18O30","","- B18 Cs2 Li2 O30 Sr -","- B18 Cs2 Li2 O30 Sr -","- B36 Cs4 Li4 O60 Sr2 -","2","0.5","","Wang, Xiaoming; Zhang, Zhiyuan; Lu, Juanjuan; Zhang, Feng; Pan, Shilie","Li<sub>2</sub>CeRbB<sub>18</sub>O<sub>30</sub> and Li<sub>2</sub>Cs<sub>2</sub>SrB<sub>18</sub>O<sub>30</sub>: promising low-birefringence materials for UV and deep UV zero-order waveplates.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14969","14975","10.1039/d5dt01706h","","","0.71073","MoKα","","0.0215","0.0209","","","0.0831","0.0839","","","","","","0.9628","","","","has coordinates","303770","2025-11-29","20:40:38",""
"7719482","18.805","0.0005","8.1308","0.0001","16.1378","0.0004","90","","114.053","0.003","90","","2253.21","0.1","150","0.11","150","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C I6 N2 O4 Pb8 -","- C I6 N2 O4 Pb8 -","- C4 I24 N8 O16 Pb32 -","4","0.5","","Schwarz, Albert T.; Petersen, Nele; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Slabon, Adam; Meyer, H-Jürgen","A mixed-anion compound based upon a [Pb<sub>4</sub>O<sub>4</sub>] heterocubane unit: synthesis, structure and electronic properties of Pb<sub>8</sub>O<sub>4</sub>I<sub>6</sub>(CN<sub>2</sub>).","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15169","15175","10.1039/d5dt01979f","","x-ray","0.71073","MoKα","","0.0113","0.0108","","","0.0214","0.0215","","","","","","1.222","","","","has coordinates","303801","2025-11-29","20:56:56",""
"7719483","14.345","0.002","14.641","0.002","15.037","0.002","65.575","0.002","65.603","0.002","68.792","0.002","2548.4","0.6","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H94 Mn2 Mo12 N12 O72 P8 -","- C54 H70 Mn2 Mo12 N12 O70 P8 -","- C54 H70 Mn2 Mo12 N12 O70 P8 -","1","0.5","","Li, Feng-Cai; Li, Xi-Li; Pan, Yu-Zhe; Gao, Cong-Li; Yang, Qing-Xiang","Two reduced phosphomolybdate-based metal-organic complexes modified by tunable bis-1<i>H</i>-benzimidazole ligands for enhanced photocatalytic Cr(VI) reduction.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15073","15083","10.1039/d5dt01698c","","","0.71073","MoKα","","0.0704","0.0497","","","0.1012","0.1195","","","","","","1.143","","","","has coordinates","303803","2025-11-29","20:57:47",""
"7719484","13.334","0.0017","14.8273","0.0019","15.1027","0.0019","98.59","0.002","110.121","0.002","105.761","0.002","2599","0.6","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H88 Mo12 N12 Ni O68 P8 -","- C54 H68 Mo12 N12 Ni O66 P8 -","- C54 H68 Mo12 N12 Ni O66 P8 -","1","0.5","","Li, Feng-Cai; Li, Xi-Li; Pan, Yu-Zhe; Gao, Cong-Li; Yang, Qing-Xiang","Two reduced phosphomolybdate-based metal-organic complexes modified by tunable bis-1<i>H</i>-benzimidazole ligands for enhanced photocatalytic Cr(VI) reduction.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15073","15083","10.1039/d5dt01698c","","","0.71073","MoKα","","0.0601","0.0533","","","0.15","0.1576","","","","","","1.115","","","","has coordinates,has disorder","303803","2025-11-29","20:57:48",""
"7719485","8.986","0.0017","9.6667","0.0014","15.594","0.003","90","","91.16","0.017","90","","1354.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B14 H10 K7 Li O30 -","- B14 H10 K7 Li O30 -","- B28 H20 K14 Li2 O60 -","2","0.5","","Li, Ming-Zhao; Qin, Dan; Chen, Juan; Wei, Qi; Yang, Guo-Yu","Two alkali metal borates built by {Li@B<sub>14</sub>} and {B<sub>15</sub>} cluster units.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15468","15473","10.1039/d5dt02076j","","","0.71073","MoKα","","0.1016","0.0507","","","0.08","0.0961","","","","","","1.024","","","","has coordinates","303738","2025-11-29","20:16:39",""
"7719486","13.9698","0.0019","12.0961","0.0014","12.8919","0.0014","90","","101.12","0.011","90","","2137.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- B15 K2 Li Na2 O25 -","- B15 K2 Li Na2 O25 -","- B60 K8 Li4 Na8 O100 -","4","0.5","","Li, Ming-Zhao; Qin, Dan; Chen, Juan; Wei, Qi; Yang, Guo-Yu","Two alkali metal borates built by {Li@B<sub>14</sub>} and {B<sub>15</sub>} cluster units.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15468","15473","10.1039/d5dt02076j","","","0.71073","MoKα","","0.0383","0.0308","","","0.0732","0.0774","","","","","","1.095","","","","has coordinates","303738","2025-11-29","20:16:39",""
"7719487","7.172","0.0002","13.1803","0.0004","7.0114","0.0002","90","","115.633","0.001","90","","597.55","0.03","125","","125","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 N6 P2 -","- C6 H18 N6 P2 -","- C12 H36 N12 P4 -","2","0.5","","Nazak, Joseph; Land, Michael A.; Masuda, Jason D.; Chitnis, Saurabh S.","Phosphaza-norbornanes.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15020","15024","10.1039/d5dt02134k","","","0.71073","MoKα","","0.0412","0.0328","","","0.0735","0.0839","","","","","","1.167","","","","has coordinates,has disorder","303814","2025-11-29","21:03:20",""
"7719488","7.398","0.003","10.662","0.005","10.831","0.004","113.011","0.009","103.985","0.009","101.423","0.01","721","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 F5 N5 P2 -","- C10 H12 F5 N5 P2 -","- C20 H24 F10 N10 P4 -","2","1","","Nazak, Joseph; Land, Michael A.; Masuda, Jason D.; Chitnis, Saurabh S.","Phosphaza-norbornanes.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15020","15024","10.1039/d5dt02134k","","","0.71073","MoKα","","0.0883","0.067","","","0.1262","0.1439","","","","","","1.115","","","","has coordinates","303814","2025-11-29","21:03:21",""
"7719489","7.671","0.002","16.693","0.005","12.875","0.003","90","","94.628","0.014","90","","1643.3","0.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 N5 P2 -","- C13 H23 N5 P2 -","- C52 H92 N20 P8 -","4","1","","Nazak, Joseph; Land, Michael A.; Masuda, Jason D.; Chitnis, Saurabh S.","Phosphaza-norbornanes.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15020","15024","10.1039/d5dt02134k","","","0.71073","MoKα","","0.0831","0.0504","","","0.1102","0.1457","","","","","","1.232","","","","has coordinates","303814","2025-11-29","21:03:21",""
"7719490","15.057","0.003","8.2153","0.0019","24.551","0.003","90","","94.355","0.01","90","","3028.1","1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 N10 P4 -","- C24 H40 N10 P4 -","- C96 H160 N40 P16 -","4","1","","Nazak, Joseph; Land, Michael A.; Masuda, Jason D.; Chitnis, Saurabh S.","Phosphaza-norbornanes.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15020","15024","10.1039/d5dt02134k","","","0.71073","MoKα","","0.0705","0.0438","","","0.1034","0.1307","","","","","","1.155","","","","has coordinates","303814","2025-11-29","21:03:21",""
"7719491","7.7849","0.0006","8.1304","0.0006","9.7163","0.0008","76.322","0.003","74.716","0.003","72.152","0.003","556.51","0.08","120","","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H7 N3 Ni O2 S2 -","- C8 H7 N3 Ni O2 S2 -","- C16 H14 N6 Ni2 O4 S4 -","2","1","","Robertson, Grace M.; Jaffe, Adam","Structural and electronic tuning of hybrid metal thiocyanate <i>N</i>-oxides.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14648","14653","10.1039/d5dt02188j","","x-ray","1.54178","CuKα","","0.03","0.0273","","","0.0734","0.0753","","","","","","1.043","","","","has coordinates","303777","2025-11-29","20:46:06",""
"7719492","22.6868","0.0017","7.1802","0.0005","10.1397","0.0008","90","","90","","90","","1651.7","0.2","120","","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 N6 Ni O6 S2 -","- C12 H8 N6 Ni O6 S2 -","- C48 H32 N24 Ni4 O24 S8 -","4","0.5","","Robertson, Grace M.; Jaffe, Adam","Structural and electronic tuning of hybrid metal thiocyanate <i>N</i>-oxides.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14648","14653","10.1039/d5dt02188j","","x-ray","0.71073","MoKα","","0.0675","0.062","","","0.1088","0.1108","","","","","","1.253","","","","has coordinates","303777","2025-11-29","20:46:06",""
"7719493","7.6608","0.0005","7.6617","0.0005","18.9923","0.0012","90","","97.708","0.003","90","","1104.68","0.12","120","","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Co N3 O S2 -","- C8 H7 Co N3 O S2 -","- C32 H28 Co4 N12 O4 S8 -","4","1","","Robertson, Grace M.; Jaffe, Adam","Structural and electronic tuning of hybrid metal thiocyanate <i>N</i>-oxides.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14648","14653","10.1039/d5dt02188j","","","1.54178","CuKα","","0.0681","0.0672","","","0.1759","0.1763","","","","","","1.28","","","","has coordinates,has disorder","303777","2025-11-29","20:46:06",""
"7719494","7.5711","0.0008","7.5734","0.0008","18.995","0.002","90","","98.538","0.004","90","","1077.1","0.2","120","","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N3 Ni O S2 -","- C8 H7 N3 Ni O S2 -","- C32 H28 N12 Ni4 O4 S8 -","4","1","","Robertson, Grace M.; Jaffe, Adam","Structural and electronic tuning of hybrid metal thiocyanate <i>N</i>-oxides.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14648","14653","10.1039/d5dt02188j","","x-ray","0.71073","MoKα","","0.102","0.1009","","","0.2279","0.2284","","","","","","1.338","","","","has coordinates,has disorder","303777","2025-11-29","20:46:06",""
"7719495","22.3485","0.0012","7.1464","0.0004","10.573","0.0005","90","","90","","90","","1688.63","0.15","124","","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Mn N6 O6 S2 -","- C12 H8 Mn N6 O6 S2 -","- C48 H32 Mn4 N24 O24 S8 -","4","0.5","","Robertson, Grace M.; Jaffe, Adam","Structural and electronic tuning of hybrid metal thiocyanate <i>N</i>-oxides.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14648","14653","10.1039/d5dt02188j","","","1.54178","CuKα","","0.0253","0.0242","","","0.0678","0.0681","","","","","","1.047","","","","has coordinates","303777","2025-11-29","20:46:06",""
"7719496","23.793","0.005","23.793","0.005","49.173","0.01","90","","90","","120","","24108","9","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C139 H187 N17 O29 Zn4 -","- C74 H44 N4 O16 Zn4 -","- C222 H132 N12 O48 Zn12 -","3","0.5","","Yuan, Jingjing; Lei, Honghui; Song, Fahui; Tu, Binbin","Rational design and synthesis of a novel ternary metal-organic framework with a (3,5)-connected topology for iodine capture.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15856","15863","10.1039/d5dt01722j","","","1.34138","GaKα","","0.0719","0.0342","","","0.0656","0.0715","","","","","","1.168","","","","has coordinates","303767","2025-11-29","20:38:57",""
"7719497","7.9387","0.0007","14.0075","0.0012","15.46","0.0013","90","","92.032","0.006","90","","1718.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cu(def)(bpy)(NO3)]","","- C17 H16 Cu N4 O5 -","- C17 H16 Cu N4 O5 -","- C68 H64 Cu4 N16 O20 -","4","1","","Sharma, Mitu; Sharma, Mukesh; Sultana, Sazida Yasmin; Palaniandavar, Mallayan; Islam, Nashreen S.","Mixed ligand Cu(II) complexes as new precursors for the synthesis of CuO nanomaterials: development of homogeneous and heterogeneous catalysts for styrene epoxidation and phenol hydroxylation under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15561","15580","10.1039/d5dt01420d","","","0.71073","MoKα","","0.0955","0.0511","","","0.1071","0.1312","","","","","","1.009","","","","has coordinates","303743","2025-11-29","20:18:28",""
"7719498","7.159","0.009","11.629","0.016","13.894","0.018","101.903","0.016","101.486","0.017","105.743","0.016","1049","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cu N4 O7 -","- C20 H22 Cu N4 O7 -","- C40 H44 Cu2 N8 O14 -","2","1","","Sharma, Mitu; Sharma, Mukesh; Sultana, Sazida Yasmin; Palaniandavar, Mallayan; Islam, Nashreen S.","Mixed ligand Cu(II) complexes as new precursors for the synthesis of CuO nanomaterials: development of homogeneous and heterogeneous catalysts for styrene epoxidation and phenol hydroxylation under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15561","15580","10.1039/d5dt01420d","","","0.71073","MoKα","","0.0826","0.0532","","","0.1232","0.1414","","","","","","1.03","","","","has coordinates","303743","2025-11-29","20:18:29",""
"7719499","15.3343","0.0008","9.8776","0.0005","18.6057","0.0009","90","","91.47","0.003","90","","2817.2","0.2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Br4 Mn P2 -","- C20 H32 Br4 Mn P2 -","- C80 H128 Br16 Mn4 P8 -","4","1","","Cao, Qing-Ling; Zhong, Wen-He; Zhu, Jie-Yu; Shi, Cai-Hong; Zhao, Jia-Jia; Chen, Li-Zhuang","High photoluminescence quantum yield modulation of zero-dimensional organic-inorganic Mn(II) metal halides by substituent modification.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15801","15807","10.1039/d5dt01992c","","","0.71073","MoKα","","0.0873","0.0382","","","0.0665","0.0779","","","","","","0.961","","","","has coordinates","303763","2025-11-29","20:36:03",""
"7719500","19.718","0.0006","19.718","0.0006","41.613","0.002","90","","90","","120","","14011.5","0.9","296","2","296.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C22 H36 Br4 Mn P2 -","- C22 H36 Br4 Mn P2 -","- C396 H648 Br72 Mn18 P36 -","18","0.5","","Cao, Qing-Ling; Zhong, Wen-He; Zhu, Jie-Yu; Shi, Cai-Hong; Zhao, Jia-Jia; Chen, Li-Zhuang","High photoluminescence quantum yield modulation of zero-dimensional organic-inorganic Mn(II) metal halides by substituent modification.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15801","15807","10.1039/d5dt01992c","","","0.71073","MoKα","","0.0934","0.0567","","","0.1767","0.2082","","","","","","1.027","","","","has coordinates","303763","2025-11-29","20:36:04",""
"7719501","9.7372","0.0003","29.4373","0.0009","10.6911","0.0003","90","","99.689","0.002","90","","3020.75","0.16","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Br4 Mn N2 P2 -","- C22 H30 Br4 Mn N2 P2 -","- C88 H120 Br16 Mn4 N8 P8 -","4","1","","Cao, Qing-Ling; Zhong, Wen-He; Zhu, Jie-Yu; Shi, Cai-Hong; Zhao, Jia-Jia; Chen, Li-Zhuang","High photoluminescence quantum yield modulation of zero-dimensional organic-inorganic Mn(II) metal halides by substituent modification.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15801","15807","10.1039/d5dt01992c","","","0.71073","MoKα","","0.0952","0.0426","","","0.093","0.1081","","","","","","1.04","","","","has coordinates","303763","2025-11-29","20:36:04",""
"7719502","12.7975","0.0003","12.7975","0.0003","21.1838","0.0007","90","","90","","120","","3004.59","0.14","100","","100","","","","","","","","","5","P 65","P 65","170","","","","- C18 H9 Au3 F9 N3 -","- C18 H9 Au3 F9 N3 -","- C108 H54 Au18 F54 N18 -","6","1","","Phan, Vo Quang Huy; Vanga, Mukundam; Diroll, Benjamin T.; Muñoz-Castro, Alvaro; Dias, H. V. Rasika","Trinuclear gold chains and octanuclear copper gyrobifastigia stabilized using a fluorinated pyridyl ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15717","15725","10.1039/d5dt02150b","","x-ray","0.71073","MoKα","K-L~3~","0.054","0.0474","","","0.1074","0.1123","","","","","","1.032","","","","has coordinates,has disorder","303765","2025-11-29","20:37:59",""
"7719503","21.081","0.0005","21.081","0.0005","12.2825","0.0004","90","","90","","90","","5458.4","0.3","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C48 H24 Cu8 F24 N8 -","- C48 H24 Cu8 F24 N8 -","- C192 H96 Cu32 F96 N32 -","4","0.25","","Phan, Vo Quang Huy; Vanga, Mukundam; Diroll, Benjamin T.; Muñoz-Castro, Alvaro; Dias, H. V. Rasika","Trinuclear gold chains and octanuclear copper gyrobifastigia stabilized using a fluorinated pyridyl ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15717","15725","10.1039/d5dt02150b","","x-ray","0.71073","MoKα","K-L~3~","0.0334","0.0245","","","0.0508","0.0544","","","","","","1.053","","","","has coordinates","303765","2025-11-29","20:38:00",""
"7719504","13.5965","0.0011","8.7794","0.0007","18.5854","0.0015","90","","90.333","0.003","90","","2218.5","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Al F6 Li N2 O -","- C20 H24 Al F6 Li N2 O -","- C80 H96 Al4 F24 Li4 N8 O4 -","4","1","","Phan, Vo Quang Huy; Vanga, Mukundam; Diroll, Benjamin T.; Muñoz-Castro, Alvaro; Dias, H. V. Rasika","Trinuclear gold chains and octanuclear copper gyrobifastigia stabilized using a fluorinated pyridyl ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15717","15725","10.1039/d5dt02150b","","x-ray","0.71073","MoKα","K-L~3~","0.0931","0.0724","","","0.1732","0.1861","","","","","","1.078","","","","has coordinates,has disorder","303765","2025-11-29","20:38:00",""
"7719505","18.124","0.003","13.502","0.002","21.27","0.003","90","","92.006","0.005","90","","5201.8","1.4","296","2","296","2","","","","","","","Synthesized","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H21 Cl2 Cu2 N9 O12 -","- C15 H21 Cl2 Cu2 N9 O12 -","- C120 H168 Cl16 Cu16 N72 O96 -","8","1","","Basak, Swati; Das, Pranjal; Kuilya, Hemrupa; Choudhury, Kripangkar; Mazumdar, Pradyumna; Choudhury, Diganta; Kalita, Apurba","Electrocatalytic water oxidation by an unsymmetrical dicopper complex with bridging imidazole-aldoxime ligands in neutral phosphate buffer.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15842","15848","10.1039/d5dt00962f","","x-ray","0.71073","MoKα","","0.0765","0.0655","","","0.1856","0.2016","","","","","","1.084","","","","has coordinates","303758","2025-11-29","20:32:28",""
"7719506","11.166","0.0015","19.595","0.002","17.999","0.003","90","","101.944","0.015","90","","3852.9","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H74 Cl4 O2 P4 Rh2 -","- C104 Cl4 O2 P4 Rh2 -","- C208 Cl8 O4 P8 Rh4 -","2","0.5","","Li, Zhongshu; Borger, Jaap E.; Gianetti, Thomas L.; Müller, Fabian; Pribanic, Bruno; Coburger, Peter; Grützmacher, Hansjörg","Sodium phosphaethynolate as P-source for the synthesis of molecular rhodium phosphides: an exploratory study.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16718","16726","10.1039/d5dt02274f","","x-ray","0.71073","MoKα","","0.1101","0.0797","","","0.2127","0.2302","","","","","","1.087","","","","has coordinates","303820","2025-11-29","21:09:15",""
"7719507","17.8929","0.0005","28.2041","0.0007","12.3931","0.0003","90","","90","","90","","6254.2","0.3","100","","100.02","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C64 H58 O4 P4 Rh2 -","- C64 H58 O4 P4 Rh2 -","- C256 H232 O16 P16 Rh8 -","4","0.5","","Li, Zhongshu; Borger, Jaap E.; Gianetti, Thomas L.; Müller, Fabian; Pribanic, Bruno; Coburger, Peter; Grützmacher, Hansjörg","Sodium phosphaethynolate as P-source for the synthesis of molecular rhodium phosphides: an exploratory study.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16718","16726","10.1039/d5dt02274f","","x-ray","1.54178","CuKα","","0.0504","0.0438","","","0.0934","0.0964","","","","","","1.07","","","","has coordinates,has disorder","303820","2025-11-29","21:09:17",""
"7719508","9.541","0.005","17.905","0.005","11.316","0.005","90","0.005","105.834","0.005","90","0.005","1859.8","1.4","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C49 H38 N O P2 Rh -","- C49 H38 N O P2 Rh -","- C98 H76 N2 O2 P4 Rh2 -","2","0.5","","Li, Zhongshu; Borger, Jaap E.; Gianetti, Thomas L.; Müller, Fabian; Pribanic, Bruno; Coburger, Peter; Grützmacher, Hansjörg","Sodium phosphaethynolate as P-source for the synthesis of molecular rhodium phosphides: an exploratory study.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16718","16726","10.1039/d5dt02274f","","x-ray","0.71073","MoKα","","0.028","0.0241","","","0.0592","0.0614","","","","","","1.069","","","","has coordinates,has disorder","303820","2025-11-29","21:09:17",""
"7719509","14.5881","0.0003","15.3992","0.0004","23.9098","0.0004","88.72","0.002","74.986","0.002","76.727","0.002","5045.3","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C114 H93 O3 P8 Rh4 -","- C114 H92 O3 P8 Rh4 -","- C228 H184 O6 P16 Rh8 -","2","1","","Li, Zhongshu; Borger, Jaap E.; Gianetti, Thomas L.; Müller, Fabian; Pribanic, Bruno; Coburger, Peter; Grützmacher, Hansjörg","Sodium phosphaethynolate as P-source for the synthesis of molecular rhodium phosphides: an exploratory study.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16718","16726","10.1039/d5dt02274f","","x-ray","0.71073","MoKα","","0.0464","0.0345","","","0.0825","0.0871","","","","","","1.042","","","","has coordinates","303820","2025-11-29","21:09:17",""
"7719510","15.2977","0.0004","18.7962","0.0005","26.1377","0.0008","90","","90.337","0.001","90","","7515.5","0.4","100","","100.02","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C87 H72 N6 Na O3 P5 Rh2 -","- C87 H72 N6 Na O3 P5 Rh2 -","- C348 H288 N24 Na4 O12 P20 Rh8 -","4","1","","Li, Zhongshu; Borger, Jaap E.; Gianetti, Thomas L.; Müller, Fabian; Pribanic, Bruno; Coburger, Peter; Grützmacher, Hansjörg","Sodium phosphaethynolate as P-source for the synthesis of molecular rhodium phosphides: an exploratory study.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16718","16726","10.1039/d5dt02274f","","x-ray","1.54178","CuKα","","0.0405","0.0365","","","0.0901","0.0944","","","","","","1.098","","","","has coordinates","303820","2025-11-29","21:09:17",""
"7719511","8.6895","0.0003","12.4532","0.0005","16.7378","0.0005","90","","100.023","0.002","90","","1783.59","0.11","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2a","2a","","- C17 H23 Au Cl N S -","- C17 H23 Au Cl N S -","- C68 H92 Au4 Cl4 N4 S4 -","4","1","","Chalkidis, Savvas G.; Tsoureas, Nikolaos; Nolan, Steven P.; Vougioukalakis, Georgios C.","A straightforward approach to robust thiazolylidene gold complexes: efficient catalysts for propargylamide cycloisomerizations.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14659","14663","10.1039/d5dt02258d","","","0.71073","MoKα","","0.0204","0.017","","","0.0366","0.038","","","","","","1.029","","","","has coordinates","303772","2025-11-29","20:43:40",""
"7719512","7.1406","0.0005","9.3599","0.0008","10.644","0.0009","66.432","0.003","75.734","0.003","71.004","0.002","610.97","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","2i","2i","","- C11 H11 Au Cl N S -","- C11 H11 Au Cl N S -","- C22 H22 Au2 Cl2 N2 S2 -","2","1","","Chalkidis, Savvas G.; Tsoureas, Nikolaos; Nolan, Steven P.; Vougioukalakis, Georgios C.","A straightforward approach to robust thiazolylidene gold complexes: efficient catalysts for propargylamide cycloisomerizations.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14659","14663","10.1039/d5dt02258d","","","0.71073","MoKα","","0.0199","0.0193","","","0.0493","0.0498","","","","","","1.116","","","","has coordinates","303772","2025-11-29","20:43:42",""
"7719513","8.637","0.0007","15.5731","0.0015","14.5217","0.0014","90","","106.215","0.003","90","","1875.5","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2b","2b","","- C18 H23 Au Cl N S -","- C18 H23 Au Cl N S -","- C72 H92 Au4 Cl4 N4 S4 -","4","1","","Chalkidis, Savvas G.; Tsoureas, Nikolaos; Nolan, Steven P.; Vougioukalakis, Georgios C.","A straightforward approach to robust thiazolylidene gold complexes: efficient catalysts for propargylamide cycloisomerizations.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14659","14663","10.1039/d5dt02258d","","","0.71073","MoKα","","0.0422","0.032","","","0.0684","0.0736","","","","","","1.14","","","","has coordinates","303772","2025-11-29","20:43:42",""
"7719514","8.8365","0.0003","18.2355","0.0006","12.3269","0.0003","90","","96.096","0.001","90","","1975.1","0.11","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2d","2d","","- C20 H27 Au Cl N S -","- C20 H27 Au Cl N S -","- C80 H108 Au4 Cl4 N4 S4 -","4","1","","Chalkidis, Savvas G.; Tsoureas, Nikolaos; Nolan, Steven P.; Vougioukalakis, Georgios C.","A straightforward approach to robust thiazolylidene gold complexes: efficient catalysts for propargylamide cycloisomerizations.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14659","14663","10.1039/d5dt02258d","","","0.71073","MoKα","","0.0359","0.0315","","","0.0783","0.0815","","","","","","1.05","","","","has coordinates","303772","2025-11-29","20:43:42",""
"7719515","8.7359","0.0002","18.317","0.0004","12.0958","0.0004","90","","98.435","0.001","90","","1914.58","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2c","2c","","- C19 H25 Au Cl N S -","- C19 H25 Au Cl N S -","- C76 H100 Au4 Cl4 N4 S4 -","4","1","","Chalkidis, Savvas G.; Tsoureas, Nikolaos; Nolan, Steven P.; Vougioukalakis, Georgios C.","A straightforward approach to robust thiazolylidene gold complexes: efficient catalysts for propargylamide cycloisomerizations.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14659","14663","10.1039/d5dt02258d","","","0.71073","MoKα","","0.0271","0.0211","","","0.0439","0.0458","","","","","","1.043","","","","has coordinates","303772","2025-11-29","20:43:42",""
"7719516","15.1964","0.0009","10.3331","0.0005","15.5051","0.001","90","","113.388","0.002","90","","2234.7","0.2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","2e","2e","","- C21 H26 Au Cl F3 N S -","- C21 H26 Au Cl F3 N S -","- C84 H104 Au4 Cl4 F12 N4 S4 -","4","1","","Chalkidis, Savvas G.; Tsoureas, Nikolaos; Nolan, Steven P.; Vougioukalakis, Georgios C.","A straightforward approach to robust thiazolylidene gold complexes: efficient catalysts for propargylamide cycloisomerizations.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14659","14663","10.1039/d5dt02258d","","","0.71073","MoKα","","0.0306","0.0225","","","0.0467","0.05","","","","","","1.037","","","","has coordinates","303772","2025-11-29","20:43:42",""
"7719517","8.7738","0.0009","12.4596","0.0014","14.1487","0.0014","80.915","0.004","86.971","0.004","88.399","0.004","1524.9","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","2g","2g","","- C14 H17 Au Cl N S -","- C14 H17 Au Cl N S -","- C56 H68 Au4 Cl4 N4 S4 -","4","2","","Chalkidis, Savvas G.; Tsoureas, Nikolaos; Nolan, Steven P.; Vougioukalakis, Georgios C.","A straightforward approach to robust thiazolylidene gold complexes: efficient catalysts for propargylamide cycloisomerizations.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14659","14663","10.1039/d5dt02258d","","","0.71073","MoKα","","0.0223","0.0177","","","0.0402","0.0427","","","","","","1.13","","","","has coordinates","303772","2025-11-29","20:43:42",""
"7719518","9.1355","0.0002","10.1148","0.0002","23.4667","0.0006","90","","98.882","0.001","90","","2142.41","0.08","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2f","2f","","- C21 H29 Au Cl N O S -","- C21 H29 Au Cl N O S -","- C84 H116 Au4 Cl4 N4 O4 S4 -","4","1","","Chalkidis, Savvas G.; Tsoureas, Nikolaos; Nolan, Steven P.; Vougioukalakis, Georgios C.","A straightforward approach to robust thiazolylidene gold complexes: efficient catalysts for propargylamide cycloisomerizations.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14659","14663","10.1039/d5dt02258d","","","0.71073","MoKα","","0.0164","0.0153","","","0.0361","0.0365","","","","","","1.084","","","","has coordinates","303772","2025-11-29","20:43:42",""
"7719519","16.4777","0.0006","7.5333","0.0003","10.4391","0.0003","90","","90","","90","","1295.82","0.08","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","2j","2j","","- C11 H17 Au Cl N S -","- C11 H17 Au Cl N S -","- C44 H68 Au4 Cl4 N4 S4 -","4","0.5","","Chalkidis, Savvas G.; Tsoureas, Nikolaos; Nolan, Steven P.; Vougioukalakis, Georgios C.","A straightforward approach to robust thiazolylidene gold complexes: efficient catalysts for propargylamide cycloisomerizations.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14659","14663","10.1039/d5dt02258d","","","0.71073","MoKα","","0.0193","0.0172","","","0.0367","0.0377","","","","","","1.137","","","","has coordinates,has disorder","303772","2025-11-29","20:43:42",""
"7719520","10.8297","0.0003","15.9168","0.0004","13.5493","0.0003","90","","110.779","0.001","90","","2183.64","0.1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","3a","3a","","- C20 H24 Au F6 N O S -","- C20 H24 Au F6 N O S -","- C80 H96 Au4 F24 N4 O4 S4 -","4","1","","Chalkidis, Savvas G.; Tsoureas, Nikolaos; Nolan, Steven P.; Vougioukalakis, Georgios C.","A straightforward approach to robust thiazolylidene gold complexes: efficient catalysts for propargylamide cycloisomerizations.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14659","14663","10.1039/d5dt02258d","","","0.71073","MoKα","","0.0301","0.0228","","","0.0472","0.0505","","","","","","1.036","","","","has coordinates","303772","2025-11-29","20:43:42",""
"7719521","18.952","0.0014","9.1557","0.0007","20.734","0.0016","90","","105.621","0.003","90","","3464.9","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2h","2h","","- C17 H21 Au Cl N S -","- C17 H21 Au Cl N S -","- C136 H168 Au8 Cl8 N8 S8 -","8","2","","Chalkidis, Savvas G.; Tsoureas, Nikolaos; Nolan, Steven P.; Vougioukalakis, Georgios C.","A straightforward approach to robust thiazolylidene gold complexes: efficient catalysts for propargylamide cycloisomerizations.","Dalton transactions (Cambridge, England : 2003)","2025","54","39","14659","14663","10.1039/d5dt02258d","","","0.71073","MoKα","","0.0405","0.0258","","","0.0497","0.0549","","","","","","1.037","","","","has coordinates","303772","2025-11-29","20:43:42",""
"7719522","10.7312","0.0006","11.9579","0.0009","13.2061","0.0006","93.141","0.005","98.978","0.005","96.32","0.005","1659.23","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H74 Co6 Dy2 N12 O34 -","- C40 H74 Co6 Dy2 N12 O34 -","- C40 H74 Co6 Dy2 N12 O34 -","1","0.5","","Martinez, Lara; Hunger, David; Cruz, Carlos; van Slageren, Joris; Paredes-García, Verónica; Alborés, Pablo","SMM behaviour in a {CoIII4CoII2DyIII2} complex: Co(II)-based thermal barrier and Dy(III) spectator role.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15107","15117","10.1039/d5dt01689d","","","0.71073","MoKα","","0.0735","0.0451","","","0.0711","0.0837","","","","","","0.951","","","","has coordinates,has disorder","303800","2025-11-29","20:56:46",""
"7719523","10.742","0.003","15.243","0.004","15.742","0.004","82.128","0.007","73.421","0.007","89.98","0.008","2445.1","1.1","173","2","173","","","","","","","","","6","P -1","-P 1","2","","NMe2TPZ-Cu dimer","","- C46 H44 Cl2 Cu N14 O9 -","- C44 H39 Cl2 Cu N13 O8 -","- C88 H78 Cl4 Cu2 N26 O16 -","2","1","","Roy, Indrajit; Karthikeyan, L.; Deb, Sourav; Rathnam, Sharan Shanmuga Vuppaladadium; Jangra, Jitender; Patra, Snehashish; Roy, Anindya; Maji, Somnath","Structurally Modified Dipyrazinylpyridine-Based Homoleptic Cu(II) Complexes: Comparative Cytotoxic Evaluation in Breast Cancer Cell Lines","Dalton Transactions","2025","","","","","10.1039/D5DT01877C","","","0.71073","MoKα","","0.1205","0.0621","","","0.1655","0.1973","","","","","","1.081","","","","has coordinates","302314","2025-09-30","22:59:20",""
"7719524","19.429","0.004","9.3917","0.0017","34.572","0.006","90","","105.844","0.006","90","","6069","2","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H51 Cl2 Cu N13 O9 -","- C62 H44 Cl2 Cu N12 O8 -","- C248 H176 Cl8 Cu4 N48 O32 -","4","1","","Roy, Indrajit; Karthikeyan, L.; Deb, Sourav; Rathnam, Sharan Shanmuga Vuppaladadium; Jangra, Jitender; Patra, Snehashish; Roy, Anindya; Maji, Somnath","Structurally Modified Dipyrazinylpyridine-Based Homoleptic Cu(II) Complexes: Comparative Cytotoxic Evaluation in Breast Cancer Cell Lines","Dalton Transactions","2025","","","","","10.1039/D5DT01877C","","","0.71073","MoKα","","0.114","0.0678","","","0.1734","0.2113","","","","","","1.0433","","","","has coordinates","302314","2025-09-30","22:59:21",""
"7719525","17.7864","0.0004","12.2202","0.0003","17.8968","0.0005","90","","96.19","0.002","90","","3867.25","0.17","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H59 I Mo N3 O3 P2 -","- C34 H60 I Mo N3 O3 P2 -","- C136 H240 I4 Mo4 N12 O12 P8 -","4","1","","Miyazaki, Tomoyuki; Suginome, Shun; Nakamura, Taiji; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Reactivity of a molybdenum-nitride complex bearing an NHC-based PCP-type pincer ligand toward unsaturated substrates.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15864","15872","10.1039/d5dt02036k","","x-ray","0.71073","MoKα","","0.0598","0.0411","","","0.0962","0.1057","","","","","","1.046","","","","has coordinates,has disorder","303768","2025-11-29","20:39:26",""
"7719526","17.4356","0.0005","11.5583","0.0003","20.5278","0.0006","90","","112.652","0.003","90","","3817.8","0.2","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H60 I Mo N3 O P2 -","- C34 H60 I Mo N3 O P2 -","- C136 H240 I4 Mo4 N12 O4 P8 -","4","1","","Miyazaki, Tomoyuki; Suginome, Shun; Nakamura, Taiji; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Reactivity of a molybdenum-nitride complex bearing an NHC-based PCP-type pincer ligand toward unsaturated substrates.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15864","15872","10.1039/d5dt02036k","","x-ray","0.71073","MoKα","","0.0988","0.0609","","","0.1521","0.1806","","","","","","1.031","","","","has coordinates","303768","2025-11-29","20:39:29",""
"7719527","13.3696","0.0003","11.6652","0.0003","22.844","0.0005","90","","95.724","0.002","90","","3544.96","0.14","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H56 I Mo N3 O P2 -","- C31 H56 I Mo N3 O P2 -","- C124 H224 I4 Mo4 N12 O4 P8 -","4","1","","Miyazaki, Tomoyuki; Suginome, Shun; Nakamura, Taiji; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Reactivity of a molybdenum-nitride complex bearing an NHC-based PCP-type pincer ligand toward unsaturated substrates.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15864","15872","10.1039/d5dt02036k","","x-ray","0.71073","MoKα","","0.036","0.0279","","","0.059","0.0614","","","","","","1.034","","","","has coordinates","303768","2025-11-29","20:39:29",""
"7719528","14.8257","0.0006","14.8939","0.0004","17.2162","0.0007","90","","112.191","0.005","90","","3520","0.3","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 Cl2 I Mo N3 O3 P2 -","- C30 H48 Cl2 I Mo N3 O3 P2 -","- C120 H192 Cl8 I4 Mo4 N12 O12 P8 -","4","1","","Miyazaki, Tomoyuki; Suginome, Shun; Nakamura, Taiji; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Reactivity of a molybdenum-nitride complex bearing an NHC-based PCP-type pincer ligand toward unsaturated substrates.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15864","15872","10.1039/d5dt02036k","","x-ray","0.71073","MoKα","","0.0664","0.0456","","","0.1165","0.125","","","","","","1.046","","","","has coordinates","303768","2025-11-29","20:39:29",""
"7719529","22.9072","0.0005","12.0684","0.0002","25.0037","0.0005","90","","98.114","0.002","90","","6843.2","0.2","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H104 I2 Mo2 N6 O6 P4 -","- C58 H104 I2 Mo2 N6 O6 P4 -","- C232 H416 I8 Mo8 N24 O24 P16 -","4","1","","Miyazaki, Tomoyuki; Suginome, Shun; Nakamura, Taiji; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Reactivity of a molybdenum-nitride complex bearing an NHC-based PCP-type pincer ligand toward unsaturated substrates.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15864","15872","10.1039/d5dt02036k","","x-ray","0.71073","MoKα","","0.0718","0.0446","","","0.1033","0.1211","","","","","","1.059","","","","has coordinates,has disorder","303768","2025-11-29","20:39:29",""
"7719530","13.1729","0.0013","15.8006","0.0017","17.7785","0.0019","110.99","0.003","108.537","0.003","91.304","0.003","3236.4","0.6","172.59","","172.59","","","","","","","","","7","P -1","-P 1","2","","RB","","- C51 H44 Eu F9 N12 O20 S3 -","- C51 H54 Eu F9 N12 O20 S3 -","- C102 H108 Eu2 F18 N24 O40 S6 -","2","1","","Biswas, Raju; Das, Manik; Ahmed, Toushique; Laha, Soumik; Samanta, Bidhan Chandra; Gomila, Rosa M.; Frontera, Antonio; Pramanik, Goutam; Maity, Tithi","A coordinatively unsaturated mononuclear europium(III) complex: a luminescent sensor for adenosine monophosphate in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16056","16069","10.1039/d5dt01849h","","","0.71073","MoKα","","0.0856","0.0532","","","0.1222","0.148","","","","","","1.077","","","","has coordinates","303746","2025-11-29","20:20:26",""
"7719531","9.552","0.003","17.154","0.005","12.593","0.004","90","","93.34","0.03","90","","2059.9","1.1","300.01","0.1","300.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 Br4 Cu N2 -","- C14 H28 Br4 Cu N2 -","- C56 H112 Br16 Cu4 N8 -","4","1","","Ciżman, Agnieszka; Kowalska, Dorota A.; Szarek, Paweł; Medycki, Wojciech; Wójcik, Natalia A; Gusowski, Marek; Trzebiatowska, Monika; Bartosiewicz, Adam; Filevska, Liudmyla; Staniorowski, Piotr; Jach, Ewelina","Indications of ferroelectric behaviour near room temperature in the organic-inorganic hybrid Q<sub>2</sub>CuBr<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15816","15832","10.1039/d5dt01668a","","","0.71073","MoKα","","0.0875","0.0474","","","0.0917","0.1077","","","","","","1.018","","","","has coordinates,has disorder","303759","2025-11-29","20:32:57",""
"7719532","9.45","0.002","16.929","0.004","12.435","0.003","90","","94.15","0.02","90","","1984.1","0.8","99.8","0.6","99.8","0.6","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H28 Br4 Cu N2 -","- C14 H28 Br4 Cu N2 -","- C56 H112 Br16 Cu4 N8 -","4","2","","Ciżman, Agnieszka; Kowalska, Dorota A.; Szarek, Paweł; Medycki, Wojciech; Wójcik, Natalia A; Gusowski, Marek; Trzebiatowska, Monika; Bartosiewicz, Adam; Filevska, Liudmyla; Staniorowski, Piotr; Jach, Ewelina","Indications of ferroelectric behaviour near room temperature in the organic-inorganic hybrid Q<sub>2</sub>CuBr<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15816","15832","10.1039/d5dt01668a","","","0.71073","MoKα","","0.0225","0.02","","","0.04","0.0407","","","","","","1.046","","","","has coordinates","303759","2025-11-29","20:32:59",""
"7719533","13.735","0.002","13.735","0.002","13.735","0.002","90","","90","","90","","2591.1","0.7","298","","298","","","","1","","","","","3","I -4 3 d","I -4bd 2c 3","220","Aluminium tris(catena-phosphate(V))","","","- Al8 O72 P24 -","- Al8 O72 P24 -","- Al16 O144 P48 -","2","0.0416667","","Adediwura, Sheyi C.; Wied, Jan K.; Litterscheid, Christian F.; Schmedt Auf der Günne, Jörn","Stability, structure, dynamics and thermal properties of C-type aluminium tris-dihydrogen phosphate.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16727","16736","10.1039/d5dt02141c","powder diffraction","x-ray","1.5406","CuKα~1~","","4.278","","","","","","","","1.82","","","","","","","has coordinates","303816","2025-11-29","21:05:15",""
"7719534","13.6862","0.0001","13.6862","0.0001","9.1333","0.0001","90","","90","","120","","1481.58","0.02","298","","298","2","","","1","","","","","4","R 3 c :H","R 3 -2""c","161","Aluminiumtrisdihydrogenphosphate","","","- Al H6 O12 P3 -","- Al H6 O12 P3 -","- Al6 H36 O72 P18 -","6","0.333333","","Adediwura, Sheyi C.; Wied, Jan K.; Litterscheid, Christian F.; Schmedt Auf der Günne, Jörn","Stability, structure, dynamics and thermal properties of C-type aluminium tris-dihydrogen phosphate.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16727","16736","10.1039/d5dt02141c","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","3.033","5.772","","","","","","","has coordinates","303816","2025-11-29","21:05:15",""
"7719535","11.4326","0.0005","9.5843","0.0003","19.4641","0.0008","90","","104.947","0.004","90","","2060.59","0.14","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl N2 O6 Zn1.5 -","- C17 H21 Cl N2 O6 Zn1.5 -","- C68 H84 Cl4 N8 O24 Zn6 -","4","1","","Mantoo, Imtiyaz Ahmad; Bashir, Masrat; Nengroo, Mushtaq Ahmad; Bhat, Shahnawaz Ali; Yousuf, Imtiyaz","An acetate bridged centrosymmetric trinuclear Zn(II) cluster: structural insights, biomolecular interactions, sensing and cytotoxic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15637","15654","10.1039/d5dt02057c","","x-ray","0.71073","MoKα","","0.0705","0.0438","","","0.0941","0.1034","","","","","","1.0151","","","","has coordinates","303742","2025-11-29","20:18:18",""
"7719536","10.9703","0.0007","26.1698","0.0012","23.2557","0.0019","90","","98.084","0.007","90","","6610.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H48 N4 O4 -","- C58 H48 N4 O4 -","- C348 H288 N24 O24 -","6","1.5","","Ogar, Joseph O.; Davies, E. Stephen; Almuhana, Asia R. Y.; Griffin, Sarah L.; Addicoat, Matthew A.; Argent, Stephen P.; Champness, Neil R.","Perylenediimide-based metal-organic frameworks: structural, electrochemical and spectroelectrochemical characterisation.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16049","16055","10.1039/d5dt02244d","","x-ray","0.6889","synchrotron","","0.149","0.0925","","","0.2273","0.285","","","","","","0.999","","","","has coordinates,has disorder","303753","2025-11-29","20:24:23",""
"7719537","12.677","0.004","13.196","0.005","31.941","0.008","85.58","0.03","88.5","0.02","89.2","0.04","5325","3","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C186.5 H176.5 Co4 N15.5 O31.5 -","- C164 H120 Co4 N8 O24 -","- C164 H120 Co4 N8 O24 -","1","0.5","","Ogar, Joseph O.; Davies, E. Stephen; Almuhana, Asia R. Y.; Griffin, Sarah L.; Addicoat, Matthew A.; Argent, Stephen P.; Champness, Neil R.","Perylenediimide-based metal-organic frameworks: structural, electrochemical and spectroelectrochemical characterisation.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16049","16055","10.1039/d5dt02244d","","","0.6889","Synchrotron","","0.183","0.1666","","","0.4204","0.4394","","","","","","1.717","","","","has coordinates","303753","2025-11-29","20:24:24",""
"7719538","9.8262","0.001","10.0279","0.0008","17.2749","0.0017","81.115","0.004","80.835","0.005","64.082","0.004","1504.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H35 B10 N P2 -","- C28 H35 B10 N P2 -","- C56 H70 B20 N2 P4 -","2","1","","Rodríguez-Rey, José Luis; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Unconventional coordination modes of carboranyl phosphine-iminophosphorane ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16219","16240","10.1039/d5dt02122g","","","0.71073","MoKα","","0.0673","0.0494","","","0.1146","0.1234","","","","","","1.079","","","","has coordinates,has disorder","303755","2025-11-29","20:30:29",""
"7719539","16.053","0.003","10.8382","0.0017","24.758","0.004","90","","90.992","0.011","90","","4306.9","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H84 B20 Cl10 N2 P4 Pd2 -","- C71 H84 B20 Cl10 N2 P4 Pd2 -","- C142 H168 B40 Cl20 N4 P8 Pd4 -","2","0.5","","Rodríguez-Rey, José Luis; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Unconventional coordination modes of carboranyl phosphine-iminophosphorane ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16219","16240","10.1039/d5dt02122g","","","0.71073","MoKα","","0.1066","0.0589","","","0.145","0.1707","","","","","","1.024","","","","has coordinates","303755","2025-11-29","20:30:38",""
"7719540","14.361","0.0019","14.98","0.002","21.96","0.003","89.184","0.006","77.619","0.005","62.086","0.006","4057.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H34 Cl5 N P2 Pd -","- C39 H34 Cl5 N P2 Pd -","- C156 H136 Cl20 N4 P8 Pd4 -","4","2","","Rodríguez-Rey, José Luis; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Unconventional coordination modes of carboranyl phosphine-iminophosphorane ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16219","16240","10.1039/d5dt02122g","","","0.71073","MoKα","","0.0618","0.0425","","","0.0942","0.1027","","","","","","1.022","","","","has coordinates","303755","2025-11-29","20:30:38",""
"7719541","9.5983","0.0006","14.088","0.0008","24.6872","0.0016","90","","100.919","0.004","90","","3277.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H70 B20 Cl4 N2 P4 Pd2 -","- C56 H70 B20 Cl4 N2 P4 Pd2 -","- C112 H140 B40 Cl8 N4 P8 Pd4 -","2","0.5","","Rodríguez-Rey, José Luis; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Unconventional coordination modes of carboranyl phosphine-iminophosphorane ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16219","16240","10.1039/d5dt02122g","","","0.71073","MoKα","","0.046","0.0341","","","0.0762","0.0816","","","","","","1.04","","","","has coordinates","303755","2025-11-29","20:30:38",""
"7719542","13.9797","0.0008","17.9443","0.0009","14.9517","0.0009","90","","114.27","0.004","90","","3419.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 B10 Cl2 N P2 Pd -","- C29 H37 B10 Cl2 N P2 Pd -","- C116 H148 B40 Cl8 N4 P8 Pd4 -","4","1","","Rodríguez-Rey, José Luis; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Unconventional coordination modes of carboranyl phosphine-iminophosphorane ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16219","16240","10.1039/d5dt02122g","","","0.71073","MoKα","","0.0427","0.0313","","","0.0681","0.0732","","","","","","1.053","","","","has coordinates","303755","2025-11-29","20:30:38",""
"7719543","13.3812","0.0006","15.1896","0.0008","20.6714","0.0011","84.856","0.003","77.425","0.003","85.762","0.003","4077.9","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H76 B20 Cl10 N2 P4 Pd2 -","- C59 H76 B20 Cl10 N2 P4 Pd2 -","- C118 H152 B40 Cl20 N4 P8 Pd4 -","2","1","","Rodríguez-Rey, José Luis; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Unconventional coordination modes of carboranyl phosphine-iminophosphorane ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16219","16240","10.1039/d5dt02122g","","","0.71073","MoKα","","0.1256","0.0795","","","0.1715","0.1917","","","","","","1.027","","","","has coordinates,has disorder","303755","2025-11-29","20:30:38",""
"7719544","10.7366","0.0006","12.1515","0.0007","35.5344","0.0016","90","","98.497","0.003","90","","4585.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H106 B20 Cl4 N2 O8 P4 Pd2 -","- C74 H106 B20 Cl4 N2 O8 P4 Pd2 -","- C148 H212 B40 Cl8 N4 O16 P8 Pd4 -","2","0.5","","Rodríguez-Rey, José Luis; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Unconventional coordination modes of carboranyl phosphine-iminophosphorane ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16219","16240","10.1039/d5dt02122g","","","0.71073","MoKα","","0.0566","0.0374","","","0.0771","0.0845","","","","","","1.026","","","","has coordinates,has disorder","303755","2025-11-29","20:30:38",""
"7719545","17.1567","0.0005","9.8652","0.0003","22.344","0.0006","90","","98.764","0.002","90","","3737.66","0.19","123","2","123","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C37 H45 N2 O10 V2 -","- C37 H45 N2 O10 V2 -","- C148 H180 N8 O40 V8 -","4","1","","Simran, Simran; Tansky, Maxym; Trabulsi, Seth; Deng, Liangzi; Chu, Ching-Wu; Ozarowski, Andrew; Comito, Robert J.","Cooperative enhancement of redox catalysis in divanadium complexes binucleated by 1,8-naphthyridine-2,7-dicarboxylate.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15400","15405","10.1039/d5dt01296a","","","1.54178","CuKα","","0.0678","0.0451","","","0.1044","0.1151","","","","","","1.026","","","","has coordinates","303736","2025-11-29","20:15:20",""
"7719546","19.8965","0.0012","9.8187","0.0006","12.6691","0.0008","90","","92.413","0.005","90","","2472.8","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22.7 H21.39 N4 O8 V2 -","- C22.696 N4 O8 V2 -","- C90.784 N16 O32 V8 -","4","0.5","","Simran, Simran; Tansky, Maxym; Trabulsi, Seth; Deng, Liangzi; Chu, Ching-Wu; Ozarowski, Andrew; Comito, Robert J.","Cooperative enhancement of redox catalysis in divanadium complexes binucleated by 1,8-naphthyridine-2,7-dicarboxylate.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15400","15405","10.1039/d5dt01296a","","","1.54178","CuKα","","0.0453","0.0407","","","0.1068","0.1104","","","","","","1.013","","","","has coordinates,has disorder","303736","2025-11-29","20:15:21",""
"7719547","8.2301","0.0002","12.034","0.0003","13.7281","0.0003","70.595","0.002","77.948","0.002","77.137","0.002","1236.71","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 N10 O21 V4 -","- C38 H50 N10 O21 V4 -","- C38 H50 N10 O21 V4 -","1","0.5","","Simran, Simran; Tansky, Maxym; Trabulsi, Seth; Deng, Liangzi; Chu, Ching-Wu; Ozarowski, Andrew; Comito, Robert J.","Cooperative enhancement of redox catalysis in divanadium complexes binucleated by 1,8-naphthyridine-2,7-dicarboxylate.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15400","15405","10.1039/d5dt01296a","","","1.54178","CuKα","","0.0572","0.0402","","","0.0992","0.1069","","","","","","1.024","","","","has coordinates","303736","2025-11-29","20:15:21",""
"7719548","25.9983","0.0004","9.6789","0.0002","17.6118","0.0003","90","","90","","90","","4431.74","0.14","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C42 H50 N6 O10 V2 -","- C42 H50 N6 O10 V2 -","- C168 H200 N24 O40 V8 -","4","1","","Simran, Simran; Tansky, Maxym; Trabulsi, Seth; Deng, Liangzi; Chu, Ching-Wu; Ozarowski, Andrew; Comito, Robert J.","Cooperative enhancement of redox catalysis in divanadium complexes binucleated by 1,8-naphthyridine-2,7-dicarboxylate.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15400","15405","10.1039/d5dt01296a","","","1.54178","CuKα","","0.0434","0.0424","","","0.1085","0.1093","","","","","","1.042","","","","has coordinates","303736","2025-11-29","20:15:21",""
"7719549","12.9058","0.0009","18.0637","0.001","14.451","0.001","90","","110.602","0.002","90","","3153.5","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 N2 O11 S3 V2 -","- C22.0006 H36.0018 N2 O11.0003 S3.0003 V2 -","- C88.0024 H144.007 N8 O44.0012 S12.0012 V8 -","4","1","","Simran, Simran; Tansky, Maxym; Trabulsi, Seth; Deng, Liangzi; Chu, Ching-Wu; Ozarowski, Andrew; Comito, Robert J.","Cooperative enhancement of redox catalysis in divanadium complexes binucleated by 1,8-naphthyridine-2,7-dicarboxylate.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15400","15405","10.1039/d5dt01296a","","","0.71073","MoKα","","0.0581","0.0409","","","0.0932","0.1018","","","","","","1.041","","","","has coordinates,has disorder","303736","2025-11-29","20:15:21",""
"7719550","10.8619","0.0012","10.5089","0.0012","9.4508","0.0012","90","","91.103","0.004","90","","1078.6","0.2","290","","290","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H22 B20 K2 N2 -","- C4 H22 B20 K2 N2 -","- C8 H44 B40 K4 N4 -","2","0.5","","Yin, Xin-Ru; Lu, Zhi-Wei; Chen, Xi-Meng; He, Li-Qing; Chen, Xuenian","A simple and efficient method to synthesize metal salts of M<sub>2</sub>[<i>trans</i>-B<sub>20</sub>H<sub>18</sub>] (M = Li, Na, K, and Cu).","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13929","13933","10.1039/d5dt01718a","","","0.71073","MoKα","","0.106","0.0811","","","0.264","0.294","","","","","","1.156","","","","has coordinates","302372","2025-10-04","18:44:16",""
"7719551","10.6253","0.0003","10.3374","0.0003","9.7177","0.0003","90","","106.514","0.001","90","","1023.34","0.05","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H24 B20 Cu2 N2 -","- C4 H24 B20 Cu2 N2 -","- C8 H48 B40 Cu4 N4 -","2","0.5","","Yin, Xin-Ru; Lu, Zhi-Wei; Chen, Xi-Meng; He, Li-Qing; Chen, Xuenian","A simple and efficient method to synthesize metal salts of M<sub>2</sub>[<i>trans</i>-B<sub>20</sub>H<sub>18</sub>] (M = Li, Na, K, and Cu).","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13929","13933","10.1039/d5dt01718a","","","0.71073","MoKα","","0.0717","0.056","","","0.1526","0.1772","","","","","","1.148","","","","has coordinates","302372","2025-10-04","18:44:18",""
"7719552","12.801","0.0008","16.1249","0.001","17.2027","0.0012","99.594","0.003","106.007","0.002","106.386","0.002","3157.4","0.4","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H63 Cl4 N8 O4.5 Os P -","- C65 H63 Cl4 N8 O4.5 Os P -","- C130 H126 Cl8 N16 O9 Os2 P2 -","2","1","","Wang, Lei; Wang, Li-Xin; Liu, Zhao-Long; Xu, Fang; Qi, Rui-Yue; Man, Wai-Lun; Xiang, Jing; Liu, Ji-Yan; Lau, Tai-Chu","Reaction of an osmium(VI) nitrido complex with enamines generated <i>in situ</i> from ketones and anilines.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14052","14058","10.1039/d5dt01334h","","","0.71073","MoKα","","0.0459","0.0363","","","0.0877","0.0933","","","","","","1.036","","","","has coordinates,has disorder","302373","2025-10-04","18:45:02",""
"7719553","13.3204","0.0003","16.0179","0.0004","23.9832","0.0008","90","","103.161","0.002","90","","4982.8","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53.5 H43 N8 O5 Os P -","- C53.5 H43 N8 O5 Os P -","- C214 H172 N32 O20 Os4 P4 -","4","1","","Wang, Lei; Wang, Li-Xin; Liu, Zhao-Long; Xu, Fang; Qi, Rui-Yue; Man, Wai-Lun; Xiang, Jing; Liu, Ji-Yan; Lau, Tai-Chu","Reaction of an osmium(VI) nitrido complex with enamines generated <i>in situ</i> from ketones and anilines.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14052","14058","10.1039/d5dt01334h","","","1.54178","CuKα","","0.0323","0.0285","","","0.0699","0.0722","","","","","","1.051","","","","has coordinates","302373","2025-10-04","18:45:03",""
"7719554","15.0581","0.0002","15.0581","0.0002","35.8664","0.0009","90","","90","","90","","8132.6","0.3","149.98","0.1","149.98","0.1","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C96 H80 As4 B Cl2 O4 Yb -","- C96 H80 As4 B Cl2 O4 Yb -","- C384 H320 As16 B4 Cl8 O16 Yb4 -","4","0.25","","Lowe, Ethan; Hourston, Hamish; Sharma, Tanu; Dugmore, Sarah K.; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","Leveraging anion selection to modulate crystallographic symmetry in Yb(III) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14070","14078","10.1039/d5dt01565k","","x-ray","0.71073","MoKα","","0.0616","0.0363","","","0.0603","0.065","","","","","","1.035","","","","has coordinates","302374","2025-10-04","18:45:36",""
"7719555","10.8767","0.0007","17.1693","0.001","18.8632","0.0011","80.221","0.002","73.486","0.002","85.695","0.002","3326.9","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C72 H60 As4 Cl2 F6 O4 P Yb -","- C72 H60 As4 Cl2 F6 O4 P Yb -","- C144 H120 As8 Cl4 F12 O8 P2 Yb2 -","2","1","","Lowe, Ethan; Hourston, Hamish; Sharma, Tanu; Dugmore, Sarah K.; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","Leveraging anion selection to modulate crystallographic symmetry in Yb(III) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","14070","14078","10.1039/d5dt01565k","","","0.71073","MoKα","","0.0458","0.0407","","","0.0987","0.1011","","","","","","1.138","","","","has coordinates","302374","2025-10-04","18:45:39",""
"7719556","30.792","0.003","13.7052","0.0013","22.651","0.004","90","","128.17","0.003","90","","7515.1","1.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Monoclinic","","- C62 H92 N4 Nd4 O22 -","- C62 H92 N4 Nd4 O22 -","- C248 H368 N16 Nd16 O88 -","4","0.5","","Halder, Purbashree; Barman, Nandini; Tarannum, Ibtesham; Mukhopadhyay, Subrata; Schwarz, Björn; Singh, Saurabh Kumar; Goura, Joydeb","Tetranuclear {Ln<sup>III</sup>}<sub>4</sub> complexes possessing homometallic <i>O-capped</i> structural subunits: study of magnetic and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13879","13893","10.1039/d4dt02976c","","","0.71073","MoKα","","0.0511","0.0396","","","0.1089","0.1191","","","","","","1.037","","","","has coordinates","302375","2025-10-04","18:48:13",""
"7719557","30.407","0.003","13.7518","0.0014","22.591","0.002","90","","128.634","0.004","90","","7379.1","1.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Monoclinic","","- C62 H92 Dy4 N4 O22 -","- C62 H92 Dy4 N4 O22 -","- C248 H368 Dy16 N16 O88 -","4","0.5","","Halder, Purbashree; Barman, Nandini; Tarannum, Ibtesham; Mukhopadhyay, Subrata; Schwarz, Björn; Singh, Saurabh Kumar; Goura, Joydeb","Tetranuclear {Ln<sup>III</sup>}<sub>4</sub> complexes possessing homometallic <i>O-capped</i> structural subunits: study of magnetic and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13879","13893","10.1039/d4dt02976c","","","0.71073","MoKα","","0.0307","0.0228","","","0.0495","0.0522","","","","","","1.022","","","","has coordinates","302375","2025-10-04","18:48:14",""
"7719558","30.351","0.002","13.7014","0.0009","22.6638","0.0018","90","","128.97","0.003","90","","7327.5","0.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Monoclinic","","- C62 H92 Er4 N4 O22 -","- C62 H92 Er4 N4 O22 -","- C248 H368 Er16 N16 O88 -","4","0.5","","Halder, Purbashree; Barman, Nandini; Tarannum, Ibtesham; Mukhopadhyay, Subrata; Schwarz, Björn; Singh, Saurabh Kumar; Goura, Joydeb","Tetranuclear {Ln<sup>III</sup>}<sub>4</sub> complexes possessing homometallic <i>O-capped</i> structural subunits: study of magnetic and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13879","13893","10.1039/d4dt02976c","","","0.71073","MoKα","","0.0572","0.0349","","","0.0669","0.0732","","","","","","1.017","","","","has coordinates","302375","2025-10-04","18:48:15",""
"7719559","30.2387","0.0009","13.7372","0.0004","22.6894","0.0007","90","","128.96","0.001","90","","7328.8","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Monoclinic","","- C62 H92 N4 O22 Yb4 -","- C62 H92 N4 O22 Yb4 -","- C248 H368 N16 O88 Yb16 -","4","0.5","","Halder, Purbashree; Barman, Nandini; Tarannum, Ibtesham; Mukhopadhyay, Subrata; Schwarz, Björn; Singh, Saurabh Kumar; Goura, Joydeb","Tetranuclear {Ln<sup>III</sup>}<sub>4</sub> complexes possessing homometallic <i>O-capped</i> structural subunits: study of magnetic and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13879","13893","10.1039/d4dt02976c","","","0.71073","MoKα","","0.0272","0.0202","","","0.0435","0.0458","","","","","","1.027","","","","has coordinates","302375","2025-10-04","18:48:15",""
"7719560","30.6175","0.0011","13.7197","0.0005","22.6347","0.0009","90","","128.483","0.002","90","","7442.8","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Monoclinic","","- C62 H92 Eu4 N4 O22 -","- C62 H92 Eu4 N4 O22 -","- C248 H368 Eu16 N16 O88 -","4","0.5","","Halder, Purbashree; Barman, Nandini; Tarannum, Ibtesham; Mukhopadhyay, Subrata; Schwarz, Björn; Singh, Saurabh Kumar; Goura, Joydeb","Tetranuclear {Ln<sup>III</sup>}<sub>4</sub> complexes possessing homometallic <i>O-capped</i> structural subunits: study of magnetic and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13879","13893","10.1039/d4dt02976c","","","0.71073","MoKα","","0.0425","0.0309","","","0.0679","0.0747","","","","","","1.074","","","","has coordinates","302375","2025-10-04","18:48:15",""
"7719561","30.544","0.003","13.7433","0.0011","22.665","0.002","90","","128.811","0.004","90","","7413.6","1.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Monoclinic","","- C62 H92 N4 O22 Tb4 -","- C62 H92 N4 O22 Tb4 -","- C248 H368 N16 O88 Tb16 -","4","0.5","","Halder, Purbashree; Barman, Nandini; Tarannum, Ibtesham; Mukhopadhyay, Subrata; Schwarz, Björn; Singh, Saurabh Kumar; Goura, Joydeb","Tetranuclear {Ln<sup>III</sup>}<sub>4</sub> complexes possessing homometallic <i>O-capped</i> structural subunits: study of magnetic and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","37","13879","13893","10.1039/d4dt02976c","","","0.71073","MoKα","","0.0508","0.0344","","","0.07","0.0776","","","","","","1.06","","","","has coordinates","302375","2025-10-04","18:48:15",""
"7719562","20.9684","0.0001","20.9684","0.0001","9.6749","0.0001","90","","90","","90","","4253.8","0.05","100","0.1","100","0.1","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C42 H46 Ag2 B2 F8 N6 -","- C42 H46 Ag2 B2 F8 N6 -","- C168 H184 Ag8 B8 F32 N24 -","4","0.5","","Bavaresco, Sofia Teixeira; Marquard, Nina P.; Miura-Stempel, Emily; Mohsen, Mariana G.; Campbell, Michael G.","A systematic study of naphthyridine-derived ligands for well-defined silver(I) dimers.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13651","13657","10.1039/d5dt01626f","","x-ray","1.54184","CuKα","","0.035","0.0324","","","0.0817","0.0839","","","","","","1.088","","","","has coordinates,has disorder","302376","2025-10-04","18:49:24",""
"7719563","12.3071","0.0002","13.6211","0.0002","22.5501","0.0003","90","","97.886","0.001","90","","3744.46","0.1","99.99","0.1","99.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 Ag2 N6 -","- C42 H52 Ag2 N6 -","- C168 H208 Ag8 N24 -","4","0.5","","Bavaresco, Sofia Teixeira; Marquard, Nina P.; Miura-Stempel, Emily; Mohsen, Mariana G.; Campbell, Michael G.","A systematic study of naphthyridine-derived ligands for well-defined silver(I) dimers.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13651","13657","10.1039/d5dt01626f","","x-ray","1.54184","CuKα","","0.0418","0.041","","","0.1084","0.1093","","","","","","1.058","","","","has coordinates","302376","2025-10-04","18:49:26",""
"7719564","8.8577","0.0001","8.9213","0.0001","13.185","0.0002","98.23","0.001","107.318","0.001","95.601","0.001","973.53","0.02","100","0.3","100","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C44 H56 Ag2 N6 -","- C44 H56 Ag2 N6 -","- C44 H56 Ag2 N6 -","1","0.5","","Bavaresco, Sofia Teixeira; Marquard, Nina P.; Miura-Stempel, Emily; Mohsen, Mariana G.; Campbell, Michael G.","A systematic study of naphthyridine-derived ligands for well-defined silver(I) dimers.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13651","13657","10.1039/d5dt01626f","","x-ray","1.54184","CuKα","","0.0249","0.0226","","","0.059","0.0658","","","","","","1.117","","","","has coordinates","302376","2025-10-04","18:49:27",""
"7719565","14.7565","0.0004","21.522","0.0004","15.8935","0.0004","90","","112.845","0.003","90","","4651.7","0.2","100","0.12","100","0.12","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H50 Ag2 N6 O2 -","- C48 H50 Ag2 N6 O2 -","- C192 H200 Ag8 N24 O8 -","4","0.5","","Bavaresco, Sofia Teixeira; Marquard, Nina P.; Miura-Stempel, Emily; Mohsen, Mariana G.; Campbell, Michael G.","A systematic study of naphthyridine-derived ligands for well-defined silver(I) dimers.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13651","13657","10.1039/d5dt01626f","","x-ray","1.54184","CuKα","","0.0716","0.0643","","","0.1986","0.2134","","","","","","1.053","","","","has coordinates","302376","2025-10-04","18:49:27",""
"7719566","9.1814","0.0003","9.2496","0.0003","11.657","0.0004","73.895","0.003","84.138","0.003","83.744","0.003","942.76","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C42 H52 Ag2 N6 -","- C42 H52 Ag2 N6 -","- C42 H52 Ag2 N6 -","1","0.5","","Bavaresco, Sofia Teixeira; Marquard, Nina P.; Miura-Stempel, Emily; Mohsen, Mariana G.; Campbell, Michael G.","A systematic study of naphthyridine-derived ligands for well-defined silver(I) dimers.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13651","13657","10.1039/d5dt01626f","","x-ray","1.54184","CuKα","","0.0495","0.0447","","","0.1246","0.1352","","","","","","1.119","","","","has coordinates","302376","2025-10-04","18:49:28",""
"7719567","9.8344","0.0001","15.8394","0.0001","14.6129","0.0001","90","","106.741","0.001","90","","2179.79","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Ag2 B2 F8 N6 -","- C44 H50 Ag2 B2 F8 N6 -","- C88 H100 Ag4 B4 F16 N12 -","2","0.5","","Bavaresco, Sofia Teixeira; Marquard, Nina P.; Miura-Stempel, Emily; Mohsen, Mariana G.; Campbell, Michael G.","A systematic study of naphthyridine-derived ligands for well-defined silver(I) dimers.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13651","13657","10.1039/d5dt01626f","","x-ray","1.54184","CuKα","","0.0325","0.0303","","","0.0795","0.0815","","","","","","1.17","","","","has coordinates,has disorder","302376","2025-10-04","18:49:30",""
"7719568","10.4867","0.0003","13.8649","0.0003","20.4304","0.0006","90","","95.268","0.001","90","","2957.97","0.14","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H28 Ca2 Cl6 I4 N8 O4 -","- C60 H28 Ca2 Cl6 I4 N8 O4 -","- C120 H56 Ca4 Cl12 I8 N16 O8 -","2","0.5","","Qin, Si-Mei; Xu, Yue; Huang, Xiao-Mei; Tan, Ming-Xiong; Wei, Qing-Min; Luo, Zhi-Hui; Liang, Hong; Qin, Qi-Pin","Three novel dinuclear calcium(II) complexes with 5,7-dihalo-8-quinolinolato showing potent anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13730","13737","10.1039/d5dt01456e","","","0.71073","MoKα","","0.0729","0.0661","","","0.1707","0.1808","","","","","","1.009","","","","has coordinates,has disorder","302377","2025-10-04","18:51:58",""
"7719569","10.0812","0.0002","14.0888","0.0003","20.4266","0.0004","90","","96.818","0.001","90","","2880.71","0.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H28 Br8 Ca2 Cl2 N8 O4 -","- C60 H28 Br8 Ca2 Cl2 N8 O4 -","- C120 H56 Br16 Ca4 Cl4 N16 O8 -","2","0.5","","Qin, Si-Mei; Xu, Yue; Huang, Xiao-Mei; Tan, Ming-Xiong; Wei, Qing-Min; Luo, Zhi-Hui; Liang, Hong; Qin, Qi-Pin","Three novel dinuclear calcium(II) complexes with 5,7-dihalo-8-quinolinolato showing potent anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13730","13737","10.1039/d5dt01456e","","","1.54178","CuKα","","0.0713","0.0685","","","0.1724","0.1753","","","","","","1.009","","","","has coordinates,has disorder","302377","2025-10-04","18:52:02",""
"7719570","9.1776","0.0005","12.2688","0.0006","13.8632","0.0009","104.798","0.002","104.2","0.002","103.964","0.002","1384.01","0.14","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H30 Ca2 Cl10 N8 O4 -","- C60 H30 Ca2 Cl10 N8 O4 -","- C60 H30 Ca2 Cl10 N8 O4 -","1","0.5","","Qin, Si-Mei; Xu, Yue; Huang, Xiao-Mei; Tan, Ming-Xiong; Wei, Qing-Min; Luo, Zhi-Hui; Liang, Hong; Qin, Qi-Pin","Three novel dinuclear calcium(II) complexes with 5,7-dihalo-8-quinolinolato showing potent anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13730","13737","10.1039/d5dt01456e","","","0.71073","MoKα","","0.0768","0.0504","","","0.1306","0.1594","","","","","","1.078","","","","has coordinates","302377","2025-10-04","18:52:03",""
"7719571","10.4867","0.0004","9.941","0.0004","21.9494","0.0007","90","","97.764","0.003","90","","2267.21","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 Br N2 S2 -","- C24 H23 Br N2 S2 -","- C96 H92 Br4 N8 S8 -","4","1","","Raju, Saravanan; Sharangi, Sanhati; Singh, Harkesh B.; Prabhuraj, R. S.; Srivastava, Rohit; Butcher, Ray J.; Kumar, Sangit","Thio-iso-phthalamide pincer ligand-driven oxidative addition of a C-Br bond to gold(I): synthesis and studies of SCS-gold(III) pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13235","13245","10.1039/d5dt00916b","","","0.71073","MoKα","","0.0559","0.0406","","","0.092","0.0994","","","","","","1.022","","","","has coordinates,has disorder","302378","2025-10-04","18:58:12",""
"7719572","10.3397","0.0004","12.6756","0.0005","15.3232","0.0005","72.789","0.003","82.526","0.003","67.346","0.004","1770.06","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H47 Br N2 S2 -","- C36 H47 Br N2 S2 -","- C72 H94 Br2 N4 S4 -","2","1","","Raju, Saravanan; Sharangi, Sanhati; Singh, Harkesh B.; Prabhuraj, R. S.; Srivastava, Rohit; Butcher, Ray J.; Kumar, Sangit","Thio-iso-phthalamide pincer ligand-driven oxidative addition of a C-Br bond to gold(I): synthesis and studies of SCS-gold(III) pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13235","13245","10.1039/d5dt00916b","","","0.71073","MoKα","","0.1317","0.0862","","","0.1994","0.2329","","","","","","1.044","","","","has coordinates","302378","2025-10-04","18:58:13",""
"7719573","11.2987","0.0008","13.8687","0.0007","14.1734","0.0008","77.368","0.005","80.613","0.005","75.056","0.005","2080.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Au N2 P S2 -","- C42 H36 Au N2 P S2 -","- C84 H72 Au2 N4 P2 S4 -","2","1","","Raju, Saravanan; Sharangi, Sanhati; Singh, Harkesh B.; Prabhuraj, R. S.; Srivastava, Rohit; Butcher, Ray J.; Kumar, Sangit","Thio-iso-phthalamide pincer ligand-driven oxidative addition of a C-Br bond to gold(I): synthesis and studies of SCS-gold(III) pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13235","13245","10.1039/d5dt00916b","","","0.71073","MoKα","","0.0906","0.0613","","","0.1082","0.1213","","","","","","1.007","","","","has coordinates","302378","2025-10-04","18:58:16",""
"7719574","11.9893","0.0003","11.656","0.0003","21.7656","0.0006","90","","94.17","0.002","90","","3033.63","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Au N2 O3 P S2 -","- C30 H36 Au N2 O3 P S2 -","- C120 H144 Au4 N8 O12 P4 S8 -","4","1","","Raju, Saravanan; Sharangi, Sanhati; Singh, Harkesh B.; Prabhuraj, R. S.; Srivastava, Rohit; Butcher, Ray J.; Kumar, Sangit","Thio-iso-phthalamide pincer ligand-driven oxidative addition of a C-Br bond to gold(I): synthesis and studies of SCS-gold(III) pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13235","13245","10.1039/d5dt00916b","","","0.71073","MoKα","","0.057","0.0396","","","0.0693","0.0784","","","","","","1.056","","","","has coordinates,has disorder","302378","2025-10-04","18:58:16",""
"7719575","17.1186","0.0006","10.7299","0.0003","23.2106","0.0008","90","","106.511","0.004","90","","4087.5","0.2","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H52 Au Br0.24 Cl0.76 N2 O S3 -","- C38 H52 Au Br0.24 Cl0.76 N2 O S3 -","- C152 H208 Au4 Br0.96 Cl3.04 N8 O4 S12 -","4","2","","Raju, Saravanan; Sharangi, Sanhati; Singh, Harkesh B.; Prabhuraj, R. S.; Srivastava, Rohit; Butcher, Ray J.; Kumar, Sangit","Thio-iso-phthalamide pincer ligand-driven oxidative addition of a C-Br bond to gold(I): synthesis and studies of SCS-gold(III) pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13235","13245","10.1039/d5dt00916b","","","0.71073","MoKα","","0.0741","0.0576","","","0.0896","0.098","","","","","","1.019","","","","has coordinates,has disorder","302378","2025-10-04","18:58:17",""
"7719576","18.1283","0.001","6.9803","0.0005","22.0902","0.0011","90","","96.665","0.005","90","","2776.4","0.3","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 Au Br0.58 N2 P S2 -","- C27 H31 Au Br0.585 N2 P S2 -","- C108 H124 Au4 Br2.34 N8 P4 S8 -","4","1","","Raju, Saravanan; Sharangi, Sanhati; Singh, Harkesh B.; Prabhuraj, R. S.; Srivastava, Rohit; Butcher, Ray J.; Kumar, Sangit","Thio-iso-phthalamide pincer ligand-driven oxidative addition of a C-Br bond to gold(I): synthesis and studies of SCS-gold(III) pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13235","13245","10.1039/d5dt00916b","","","0.71073","MoKα","","0.1031","0.0679","","","0.1037","0.123","","","","","","1.034","","","","has coordinates,has disorder","302378","2025-10-04","18:58:17",""
"7719577","11.3804","0.0002","11.3854","0.0002","21.3787","0.0003","90","","95.739","0.001","90","","2756.16","0.08","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Au N2 O3 P S2 -","- C27 H30 Au N2 O3 P S2 -","- C108 H120 Au4 N8 O12 P4 S8 -","4","1","","Raju, Saravanan; Sharangi, Sanhati; Singh, Harkesh B.; Prabhuraj, R. S.; Srivastava, Rohit; Butcher, Ray J.; Kumar, Sangit","Thio-iso-phthalamide pincer ligand-driven oxidative addition of a C-Br bond to gold(I): synthesis and studies of SCS-gold(III) pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13235","13245","10.1039/d5dt00916b","","","0.71073","MoKα","","0.0215","0.0181","","","0.039","0.04","","","","","","1.047","","","","has coordinates","302378","2025-10-04","18:58:17",""
"7719578","15.0902","0.0006","24.6294","0.0008","7.4012","0.0002","90","","102.405","0.004","90","","2686.53","0.16","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Au Br0.7 Cl0.3 N2 O S3 -","- C26 H28 Au Br0.7 Cl0.3 N2 O S3 -","- C104 H112 Au4 Br2.8 Cl1.2 N8 O4 S12 -","4","1","","Raju, Saravanan; Sharangi, Sanhati; Singh, Harkesh B.; Prabhuraj, R. S.; Srivastava, Rohit; Butcher, Ray J.; Kumar, Sangit","Thio-iso-phthalamide pincer ligand-driven oxidative addition of a C-Br bond to gold(I): synthesis and studies of SCS-gold(III) pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13235","13245","10.1039/d5dt00916b","","","0.71073","MoKα","","0.053","0.0418","","","0.0917","0.0981","","","","","","1.052","","","","has coordinates,has disorder","302378","2025-10-04","18:58:18",""
"7719579","18.11","0.03","13.85","0.02","31.1","0.05","90","","105.45","0.015","90","","7519","2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H27.5 F12 N8.5 O P2 Ru -","- C34 H26 F12 N8 P2 Ru -","- C272 H208 F96 N64 P16 Ru8 -","8","2","","Andrews, Thomas S.; Robertson, Craig; Meijer, Anthony J. H. M.; Thomas, Jim A.","Investigating the DNA binding properties of two new Ru<sup>II</sup>(dppz) complexes incorporating the facially coordinated ligands tris(pyridin-2-yl)methylamine and di(pyridin-2-yl)methylamine.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14587","14596","10.1039/d5dt01159k","","","0.71073","MoKα","","0.3047","0.1753","","","0.4219","0.4967","","","","","","1.528","","","","has coordinates","302379","2025-10-04","18:59:26",""
"7719580","32.6903","0.0014","15.0788","0.0007","17.6527","0.0008","90","","92.982","0.002","90","","8689.8","0.7","100","","99.99","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 F12 N9 O P2 Ru -","- C39 H29 F12 N9 P2 Ru -","- C312 H232 F96 N72 P16 Ru8 -","8","1","","Andrews, Thomas S.; Robertson, Craig; Meijer, Anthony J. H. M.; Thomas, Jim A.","Investigating the DNA binding properties of two new Ru<sup>II</sup>(dppz) complexes incorporating the facially coordinated ligands tris(pyridin-2-yl)methylamine and di(pyridin-2-yl)methylamine.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14587","14596","10.1039/d5dt01159k","","","1.54178","CuKα","","0.0389","0.0362","","","0.0888","0.0902","","","","","","1.081","","","","has coordinates,has disorder","302379","2025-10-04","18:59:27",""
"7719581","19.498","0.002","10.6175","0.0009","22.9588","0.0018","90","","97.05","0.004","90","","4717","0.7","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Cu-SMe-ClO4","","- C17 H22 Cl2 Cu N4 O8 S -","- C17 H22 Cl2 Cu N4 O8 S -","- C136 H176 Cl16 Cu8 N32 O64 S8 -","8","1","","Sahoo, Limashree; Zhang, Yi; Das, Amrit; de Visser, Sam P.; Sastri, Chivukula V.","Role of heteroatom substitution on the stability and reactivity of mononuclear Cu(II)-alkylperoxo complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14367","14375","10.1039/d5dt01804h","","x-ray","0.71073","MoKα","","0.1127","0.0788","","","0.201","0.2332","","","","","","1.108","","","","has coordinates","302380","2025-10-04","19:01:25",""
"7719582","20.3674","0.0013","10.3954","0.0005","23.5063","0.0014","90","","101.72","0.006","90","","4873.2","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Cu-NMe2-ClO4","","- C18 H25 Cl2 Cu N5 O8 -","- C18 H25 Cl2 Cu N5 O8 -","- C144 H200 Cl16 Cu8 N40 O64 -","8","1","","Sahoo, Limashree; Zhang, Yi; Das, Amrit; de Visser, Sam P.; Sastri, Chivukula V.","Role of heteroatom substitution on the stability and reactivity of mononuclear Cu(II)-alkylperoxo complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14367","14375","10.1039/d5dt01804h","","x-ray","0.71073","MoKα","","0.1148","0.0669","","","0.151","0.1864","","","","","","1.035","","","","has coordinates","302380","2025-10-04","19:01:26",""
"7719583","15.0427","0.001","10.7911","0.001","15.2974","0.0012","90","","102.47","0.002","90","","2424.6","0.3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Cu-Ome-ClO4","","- C17 H23 Cl2 Cu N4 O10 -","- C17 H23 Cl2 Cu N4 O10 -","- C68 H92 Cl8 Cu4 N16 O40 -","4","1","","Sahoo, Limashree; Zhang, Yi; Das, Amrit; de Visser, Sam P.; Sastri, Chivukula V.","Role of heteroatom substitution on the stability and reactivity of mononuclear Cu(II)-alkylperoxo complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14367","14375","10.1039/d5dt01804h","","x-ray","0.71073","MoKα","","0.1454","0.0858","","","0.1983","0.2446","","","","","","1.064","","","","has coordinates","302380","2025-10-04","19:01:27",""
"7719584","8.1842","0.0011","12.0374","0.0015","23.57","0.003","90","","99.558","0.005","90","","2289.8","0.5","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Au Br F4 N P -","- C24 H16 Au Br F4 N P -","- C96 H64 Au4 Br4 F16 N4 P4 -","4","1","","Coconubo-Guio, Laura; Moreno, Sonia; Monge, Miguel; Olmos, M. Elena; Lopéz-de-Luzuriaga, José M","Gold(I) complexes of 2-(diphenylphosphino)aniline: synthesis and influence of the perhalophenyl ligand on their assembly.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15923","15932","10.1039/d5dt01563d","","","0.71073","MoKα","","0.0745","0.0726","","","0.1542","0.1549","","","","","","1.342","","","","has coordinates,has disorder","303761","2025-11-29","20:34:00",""
"7719585","8.2765","0.0005","11.9303","0.0007","22.5683","0.0015","90","","100.476","0.002","90","","2191.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Au Cl2 F3 N P -","- C24 H16 Au Cl2 F3 N P -","- C96 H64 Au4 Cl8 F12 N4 P4 -","4","1","","Coconubo-Guio, Laura; Moreno, Sonia; Monge, Miguel; Olmos, M. Elena; Lopéz-de-Luzuriaga, José M","Gold(I) complexes of 2-(diphenylphosphino)aniline: synthesis and influence of the perhalophenyl ligand on their assembly.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15923","15932","10.1039/d5dt01563d","","","0.71073","MoKα","","0.0376","0.0352","","","0.0851","0.0865","","","","","","1.156","","","","has coordinates","303761","2025-11-29","20:34:01",""
"7719586","10.1789","0.0011","10.6136","0.0012","11.2905","0.0012","101.12","0.004","93.797","0.004","93.764","0.004","1190.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 Au Cl5 N P -","- C24 H16 Au Cl5 N P -","- C48 H32 Au2 Cl10 N2 P2 -","2","1","","Coconubo-Guio, Laura; Moreno, Sonia; Monge, Miguel; Olmos, M. Elena; Lopéz-de-Luzuriaga, José M","Gold(I) complexes of 2-(diphenylphosphino)aniline: synthesis and influence of the perhalophenyl ligand on their assembly.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15923","15932","10.1039/d5dt01563d","","","0.71073","MoKα","","0.0303","0.0278","","","0.0611","0.062","","","","","","1.172","","","","has coordinates,has disorder","303761","2025-11-29","20:34:01",""
"7719587","7.9453","0.0007","12.0802","0.001","22.847","0.002","90","","98.012","0.003","90","","2171.5","0.3","118","2","118","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Au F5 N P -","- C24 H16 Au F5 N P -","- C96 H64 Au4 F20 N4 P4 -","4","1","","Coconubo-Guio, Laura; Moreno, Sonia; Monge, Miguel; Olmos, M. Elena; Lopéz-de-Luzuriaga, José M","Gold(I) complexes of 2-(diphenylphosphino)aniline: synthesis and influence of the perhalophenyl ligand on their assembly.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15923","15932","10.1039/d5dt01563d","","","0.71073","MoKα","","0.0988","0.0678","","","0.1301","0.1443","","","","","","1.216","","","","has coordinates,has disorder","303761","2025-11-29","20:34:01",""
"7719588","26.161","0.0006","7.1572","0.0002","7.8465","0.0002","90","","90","","90","","1469.17","0.06","120.15","","120.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C12 H18 B10 -","- C12 H18 B10 -","- C48 H72 B40 -","4","1","","Harder, Rachel A.; McGurrell, Thomas D.; MacBride, J. A. Hugh; Böhling, Lena; Brockhinke, Andreas; Yufit, Dmitry S.; Fox, Mark A.","Photophysical studies on <i>meta</i>- and <i>para</i>-carboranes containing 1-naphthyl groups.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16037","16048","10.1039/d5dt02179k","","x-ray","0.71073","MoKα","","0.0415","0.0368","","","0.0924","0.096","","","","","","0.997","","","","has coordinates","303747","2025-11-29","20:20:51",""
"7719589","13.2718","0.0003","16.6794","0.0004","13.6379","0.0003","90","","93.92","0.02","90","","3011.9","0.14","120.15","","120.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 B10 -","- C12 H18 B10 -","- C96 H144 B80 -","8","2","","Harder, Rachel A.; McGurrell, Thomas D.; MacBride, J. A. Hugh; Böhling, Lena; Brockhinke, Andreas; Yufit, Dmitry S.; Fox, Mark A.","Photophysical studies on <i>meta</i>- and <i>para</i>-carboranes containing 1-naphthyl groups.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16037","16048","10.1039/d5dt02179k","","x-ray","0.71073","MoKα","","0.0703","0.0479","","","0.1236","0.133","","","","","","1.012","","","","has coordinates","303747","2025-11-29","20:20:52",""
"7719590","7.2726","0.0003","15.1406","0.0007","19.4244","0.0008","90","","90","","90","","2138.85","0.16","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 B10 -","- C22 H24 B10 -","- C88 H96 B40 -","4","1","","Harder, Rachel A.; McGurrell, Thomas D.; MacBride, J. A. Hugh; Böhling, Lena; Brockhinke, Andreas; Yufit, Dmitry S.; Fox, Mark A.","Photophysical studies on <i>meta</i>- and <i>para</i>-carboranes containing 1-naphthyl groups.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16037","16048","10.1039/d5dt02179k","","x-ray","0.71073","MoKα","","0.0913","0.0677","","","0.143","0.1538","","","","","","1.077","","","","has coordinates","303747","2025-11-29","20:20:52",""
"7719591","7.5414","0.0012","7.9407","0.0013","17.649","0.003","90","","92.147","0.01","90","","1056.2","0.3","153","2","150","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,12-bis(1-naphthyl)-p-carborane","1,12-bis(1-naphthyl)-1,12-dicarba-closo- dodecaborane","","- C22 H24 B10 -","- C22 H24 B10 -","- C44 H48 B20 -","2","0.5","","Harder, Rachel A.; McGurrell, Thomas D.; MacBride, J. A. Hugh; Böhling, Lena; Brockhinke, Andreas; Yufit, Dmitry S.; Fox, Mark A.","Photophysical studies on <i>meta</i>- and <i>para</i>-carboranes containing 1-naphthyl groups.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16037","16048","10.1039/d5dt02179k","","","0.71073","MoKα","","0.1467","0.1119","","","0.2586","0.2844","","","","","","1.074","","","","has coordinates","303747","2025-11-29","20:20:52",""
"7719592","18.5974","0.001","12.3392","0.0007","12.6734","0.0007","90","","106.277","0.0011","90","","2791.7","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 F N P Pt -","- C37 H25 F N P Pt -","- C148 H100 F4 N4 P4 Pt4 -","4","1","","Farmer-Mason, Katelynn M; Bacon, Jeffrey W.; Cueny, Eric S.","Stability of metal-metal interactions in dinuclear Pt-Au complexes as a function of bridging Pt-arene ring electronics.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16241","16253","10.1039/d5dt02048d","","","1.54178","CuKα","","0.0385","0.0384","","","0.087","0.087","","","","","","1.158","","","","has coordinates","303745","2025-11-29","20:20:05",""
"7719593","14.2188","0.0013","9.5432","0.0009","37.948","0.003","90","","94.984","0.002","90","","5129.8","0.8","100","","100","","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C57 H42 Au Cl2 F4 N O3 P2 Pt S -","- C57 H42 Au Cl2 F4 N O3 P2 Pt S -","- C228 H168 Au4 Cl8 F16 N4 O12 P8 Pt4 S4 -","4","1","","Farmer-Mason, Katelynn M; Bacon, Jeffrey W.; Cueny, Eric S.","Stability of metal-metal interactions in dinuclear Pt-Au complexes as a function of bridging Pt-arene ring electronics.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16241","16253","10.1039/d5dt02048d","","","1.54178","CuKα","","0.0497","0.0495","","","0.1122","0.1123","","","","","","1.085","","","","has coordinates,has disorder","303745","2025-11-29","20:20:06",""
"7719594","9.3036","0.0002","17.0471","0.0004","17.9456","0.0004","90","","91.1968","0.0006","90","","2845.54","0.11","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37.5 H27 Cl N P Pt -","- C37.495 H26.99 Cl0.99 N P Pt -","- C149.98 H107.96 Cl3.96 N4 P4 Pt4 -","4","1","","Farmer-Mason, Katelynn M; Bacon, Jeffrey W.; Cueny, Eric S.","Stability of metal-metal interactions in dinuclear Pt-Au complexes as a function of bridging Pt-arene ring electronics.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16241","16253","10.1039/d5dt02048d","","","1.54178","CuKα","","0.0231","0.0228","","","0.0537","0.0539","","","","","","1.168","","","","has coordinates,has disorder","303745","2025-11-29","20:20:06",""
"7719595","8.7539","0.0009","15.0548","0.0015","24.397","0.003","90","","90","","90","","3215.2","0.6","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H30 Cl2 N O P Pt -","- C39 H30 Cl2 N O P Pt -","- C156 H120 Cl8 N4 O4 P4 Pt4 -","4","1","","Farmer-Mason, Katelynn M; Bacon, Jeffrey W.; Cueny, Eric S.","Stability of metal-metal interactions in dinuclear Pt-Au complexes as a function of bridging Pt-arene ring electronics.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16241","16253","10.1039/d5dt02048d","","","1.54178","CuKα","","0.0267","0.0265","","","0.0643","0.0644","","","","","","1.167","","","","has coordinates","303745","2025-11-29","20:20:06",""
"7719596","9.2829","0.0005","13.3536","0.0007","13.8469","0.0007","81.094","0.001","89.205","0.001","69.801","0.001","1590.03","0.14","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H27 Cl2 F3 N P Pt -","- C39 H27 Cl2 F3 N P Pt -","- C78 H54 Cl4 F6 N2 P2 Pt2 -","2","1","","Farmer-Mason, Katelynn M; Bacon, Jeffrey W.; Cueny, Eric S.","Stability of metal-metal interactions in dinuclear Pt-Au complexes as a function of bridging Pt-arene ring electronics.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16241","16253","10.1039/d5dt02048d","","","1.54178","CuKα","","0.0206","0.0206","","","0.0519","0.0519","","","","","","1.154","","","","has coordinates","303745","2025-11-29","20:20:06",""
"7719597","13.1086","0.0004","14.1393","0.0004","14.9467","0.0005","68.526","0.001","89.457","0.001","79.859","0.001","2533.16","0.14","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C57 H42 Au F6 N O4 P2 Pt S -","- C57 H42 Au F6 N O4 P2 Pt S -","- C114 H84 Au2 F12 N2 O8 P4 Pt2 S2 -","2","1","","Farmer-Mason, Katelynn M; Bacon, Jeffrey W.; Cueny, Eric S.","Stability of metal-metal interactions in dinuclear Pt-Au complexes as a function of bridging Pt-arene ring electronics.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16241","16253","10.1039/d5dt02048d","","","1.54178","CuKα","","0.0214","0.0193","","","0.0466","0.0471","","","","","","1.018","","","","has coordinates","303745","2025-11-29","20:20:06",""
"7719598","14.3136","0.0008","9.5807","0.0005","38.117","0.002","90","","94.663","0.003","90","","5209.8","0.5","100","","100","","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C58 H45 Au Cl2 F3 N O4 P2 Pt S -","- C58 H45 Au Cl2 F3 N O4 P2 Pt S -","- C232 H180 Au4 Cl8 F12 N4 O16 P8 Pt4 S4 -","4","1","","Farmer-Mason, Katelynn M; Bacon, Jeffrey W.; Cueny, Eric S.","Stability of metal-metal interactions in dinuclear Pt-Au complexes as a function of bridging Pt-arene ring electronics.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16241","16253","10.1039/d5dt02048d","","","1.54178","CuKα","","0.0505","0.045","","","0.1091","0.1121","","","","","","1.077","","","","has coordinates","303745","2025-11-29","20:20:06",""
"7719599","13.2038","0.0006","15.1044","0.0007","15.2786","0.0007","68.185","0.002","73.142","0.002","73.33","0.002","2651.8","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C55 H41 Au F6 N P3 Pt -","- C55 H41 Au F6 N P3 Pt -","- C110 H82 Au2 F12 N2 P6 Pt2 -","2","1","","Farmer-Mason, Katelynn M; Bacon, Jeffrey W.; Cueny, Eric S.","Stability of metal-metal interactions in dinuclear Pt-Au complexes as a function of bridging Pt-arene ring electronics.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16241","16253","10.1039/d5dt02048d","","","1.54178","CuKα","","0.0421","0.041","","","0.1062","0.1069","","","","","","1.08","","","","has coordinates,has disorder","303745","2025-11-29","20:20:06",""
"7719600","9.831","0.0006","17.5736","0.001","15.1403","0.0009","90","","99.41","0.002","90","","2580.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21.7 H25.11 N7 O11.38 Yb -","- C21.707 H25.121 N7 O11.38 Yb -","- C86.828 H100.484 N28 O45.52 Yb4 -","4","1","","Archer, Emma M.; Vigil, Correy R.; Galley, Shane S.; Jackson, Jessica A.; Shafer, Jenifer C.","Unveiling the interplay: comparing solvent extraction, structure, and stability constants in a phenanthroline diamide system with trivalent lanthanides.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16086","16094","10.1039/d5dt01636c","","","0.56086","AgKα","","0.0287","0.0267","","","0.0666","0.0682","","","","","","1.037","","","","has coordinates,has disorder","303754","2025-11-29","20:29:06",""
"7719601","9.5494","0.001","17.5693","0.0018","16.1606","0.0015","90","","96.922","0.003","90","","2691.6","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Er N7 O11 -","- C22 H26 Er N7 O11 -","- C88 H104 Er4 N28 O44 -","4","1","","Archer, Emma M.; Vigil, Correy R.; Galley, Shane S.; Jackson, Jessica A.; Shafer, Jenifer C.","Unveiling the interplay: comparing solvent extraction, structure, and stability constants in a phenanthroline diamide system with trivalent lanthanides.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16086","16094","10.1039/d5dt01636c","","","0.56086","AgKα","","0.035","0.0293","","","0.0722","0.0772","","","","","","1.036","","","","has coordinates,has disorder","303754","2025-11-29","20:29:08",""
"7719602","9.5877","0.0007","17.4923","0.0013","15.9192","0.0012","90","","96.539","0.002","90","","2652.5","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sm_TEtDAPhen","","- C22 H26 N7 O11 Sm -","- C22 H26 N7 O11 Sm -","- C88 H104 N28 O44 Sm4 -","4","1","","Archer, Emma M.; Vigil, Correy R.; Galley, Shane S.; Jackson, Jessica A.; Shafer, Jenifer C.","Unveiling the interplay: comparing solvent extraction, structure, and stability constants in a phenanthroline diamide system with trivalent lanthanides.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16086","16094","10.1039/d5dt01636c","","","0.56086","AgKα","","0.0298","0.0274","","","0.0685","0.0708","","","","","","1.102","","","","has coordinates,has disorder","303754","2025-11-29","20:29:10",""
"7719603","9.5653","0.001","17.4897","0.0019","15.9187","0.0018","90","","96.412","0.003","90","","2646.4","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Gd_TEtDAPhen","","- C22 H26 Gd N7 O11 -","- C22 H26 Gd N7 O11 -","- C88 H104 Gd4 N28 O44 -","4","1","","Archer, Emma M.; Vigil, Correy R.; Galley, Shane S.; Jackson, Jessica A.; Shafer, Jenifer C.","Unveiling the interplay: comparing solvent extraction, structure, and stability constants in a phenanthroline diamide system with trivalent lanthanides.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16086","16094","10.1039/d5dt01636c","","","0.56086","AgKα","","0.0253","0.0241","","","0.0576","0.0584","","","","","","1.134","","","","has coordinates,has disorder","303754","2025-11-29","20:29:12",""
"7719604","9.5417","0.0004","17.5481","0.0007","16.1542","0.0007","90","","96.875","0.002","90","","2685.39","0.19","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tm_TEtDAPhen","","- C22 H26 N7 O11 Tm -","- C22 H26 N7 O11 Tm -","- C88 H104 N28 O44 Tm4 -","4","1","","Archer, Emma M.; Vigil, Correy R.; Galley, Shane S.; Jackson, Jessica A.; Shafer, Jenifer C.","Unveiling the interplay: comparing solvent extraction, structure, and stability constants in a phenanthroline diamide system with trivalent lanthanides.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16086","16094","10.1039/d5dt01636c","","","0.56086","AgKα","","0.0428","0.0369","","","0.0936","0.1009","","","","","","1.058","","","","has coordinates,has disorder","303754","2025-11-29","20:29:13",""
"7719605","9.519","0.0006","17.4566","0.0011","15.9292","0.0011","90","","96.408","0.002","90","","2630.4","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dy_TEtDAPhen","","- C21.99 H25.93 Dy N7 O11 -","- C21.987 H25.935 Dy N7 O11 -","- C87.948 H103.74 Dy4 N28 O44 -","4","1","","Archer, Emma M.; Vigil, Correy R.; Galley, Shane S.; Jackson, Jessica A.; Shafer, Jenifer C.","Unveiling the interplay: comparing solvent extraction, structure, and stability constants in a phenanthroline diamide system with trivalent lanthanides.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16086","16094","10.1039/d5dt01636c","","","0.56086","AgKα","","0.025","0.0225","","","0.0531","0.0551","","","","","","1.117","","","","has coordinates,has disorder","303754","2025-11-29","20:29:15",""
"7719606","9.584","0.004","17.569","0.007","16.203","0.007","90","","96.835","0.014","90","","2709","2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ho_TEtDAPhen","","- C22 H26 Ho N7 O11 -","- C22 H26 Ho N7 O11 -","- C88 H104 Ho4 N28 O44 -","4","1","","Archer, Emma M.; Vigil, Correy R.; Galley, Shane S.; Jackson, Jessica A.; Shafer, Jenifer C.","Unveiling the interplay: comparing solvent extraction, structure, and stability constants in a phenanthroline diamide system with trivalent lanthanides.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16086","16094","10.1039/d5dt01636c","","","0.56086","AgKα","","0.0344","0.0302","","","0.073","0.0775","","","","","","1.082","","","","has coordinates,has disorder","303754","2025-11-29","20:29:16",""
"7719607","9.5497","0.0007","17.4884","0.0012","15.9305","0.0011","90","","96.558","0.002","90","","2643.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Eu_TEtDAPhen","","- C22 H26 Eu N7 O11 -","- C22 H26 Eu N7 O11 -","- C88 H104 Eu4 N28 O44 -","4","1","","Archer, Emma M.; Vigil, Correy R.; Galley, Shane S.; Jackson, Jessica A.; Shafer, Jenifer C.","Unveiling the interplay: comparing solvent extraction, structure, and stability constants in a phenanthroline diamide system with trivalent lanthanides.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16086","16094","10.1039/d5dt01636c","","","0.56086","AgKα","","0.0245","0.0227","","","0.0532","0.0546","","","","","","1.129","","","","has coordinates,has disorder","303754","2025-11-29","20:29:16",""
"7719608","9.7201","0.0007","17.5441","0.0012","15.8709","0.0011","90","","96.587","0.002","90","","2688.6","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ce_TEtDAPhen","","- C22 H26 Ce N7 O11 -","- C22 H26 Ce N7 O11 -","- C88 H104 Ce4 N28 O44 -","4","1","","Archer, Emma M.; Vigil, Correy R.; Galley, Shane S.; Jackson, Jessica A.; Shafer, Jenifer C.","Unveiling the interplay: comparing solvent extraction, structure, and stability constants in a phenanthroline diamide system with trivalent lanthanides.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16086","16094","10.1039/d5dt01636c","","","0.56086","AgKα","","0.0244","0.023","","","0.0549","0.0559","","","","","","1.091","","","","has coordinates,has disorder","303754","2025-11-29","20:29:18",""
"7719609","12.5844","0.0008","20.8564","0.0015","20.061","0.0014","90","","98.248","0.002","90","","5210.9","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","LaTEtDAPhen","","- C24 H29 La0.5 N6.5 O6.5 -","- C24 H29 La0.5 N6.5 O6.5 -","- C192 H232 La4 N52 O52 -","8","4","","Archer, Emma M.; Vigil, Correy R.; Galley, Shane S.; Jackson, Jessica A.; Shafer, Jenifer C.","Unveiling the interplay: comparing solvent extraction, structure, and stability constants in a phenanthroline diamide system with trivalent lanthanides.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16086","16094","10.1039/d5dt01636c","","","0.56086","AgKα","","0.0373","0.0349","","","0.0821","0.0844","","","","","","1.028","","","","has coordinates,has disorder","303754","2025-11-29","20:29:18",""
"7719610","13.5397","0.0004","3.7594","0.0001","13.7985","0.0004","90","","90","","90","","702.36","0.03","293","2","293","2","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- Cu Dy Mg2 -","- Cu Dy Mg2 -","- Cu8 Dy8 Mg16 -","8","1","","Solokha, P.; Skachko, D.; Freccero, R.; Kortus, J.; Gumeniuk, R.; De Negri, S.","<i>R</i>CuMg<sub>2</sub> compounds (<i>R</i> = Dy-Tm, Lu): crystal structure, chemical bonding and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16014","16027","10.1039/d5dt01632k","","","0.71073","MoKα","","0.0232","0.0201","","","0.0436","0.0448","","","","","","1.18","","","","has coordinates","303750","2025-11-29","20:22:11",""
"7719611","7.994","0.0002","18.2868","0.0005","22.7542","0.0005","90","","90","","90","","3326.32","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H48 Bi Cl6 N3 -","- C21 H48 Bi Cl6 N3 -","- C84 H192 Bi4 Cl24 N12 -","4","1","","Sahoo, Subhasish; Rana, Rajanikanta; Srinivas, Chakali; Iyer, Parameswar Krishnan; Dash, Laxmipriya; Biswal, Himansu S.; Samal, Saroj L.","Understanding the effect of hydrogen bonding on the structural transition and emission properties in zero-dimensional hybrid metal halides: (3,5-DMP)3BiX6 (X = Cl, Br, I).","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15726","15744","10.1039/d5dt01876e","","x-ray","0.71073","MoKα","","0.0591","0.0469","","","0.1147","0.12","","","","","","1.012","","","","has coordinates,has disorder","303757","2025-11-29","20:32:00",""
"7719612","22.1606","0.0007","20.0231","0.0007","8.5783","0.0003","90","","90","","90","","3806.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C21 H48 Bi I6 N3 -","- C21 H48 Bi I6 N3 -","- C84 H192 Bi4 I24 N12 -","4","1","","Sahoo, Subhasish; Rana, Rajanikanta; Srinivas, Chakali; Iyer, Parameswar Krishnan; Dash, Laxmipriya; Biswal, Himansu S.; Samal, Saroj L.","Understanding the effect of hydrogen bonding on the structural transition and emission properties in zero-dimensional hybrid metal halides: (3,5-DMP)3BiX6 (X = Cl, Br, I).","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15726","15744","10.1039/d5dt01876e","","x-ray","0.71073","MoKα","","0.0911","0.0388","","","0.0473","0.0538","","","","","","0.93","","","","has coordinates,has disorder","303757","2025-11-29","20:32:04",""
"7719613","21.4465","0.0005","19.453","0.0004","8.1701","0.0002","90","","90","","90","","3408.56","0.13","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C21 H48 Bi Br6 N3 -","- C21 H48 Bi Br6 N3 -","- C84 H192 Bi4 Br24 N12 -","4","1","","Sahoo, Subhasish; Rana, Rajanikanta; Srinivas, Chakali; Iyer, Parameswar Krishnan; Dash, Laxmipriya; Biswal, Himansu S.; Samal, Saroj L.","Understanding the effect of hydrogen bonding on the structural transition and emission properties in zero-dimensional hybrid metal halides: (3,5-DMP)3BiX6 (X = Cl, Br, I).","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15726","15744","10.1039/d5dt01876e","","x-ray","0.71073","MoKα","","0.0647","0.038","","","0.0475","0.0515","","","","","","0.978","","","","has coordinates,has disorder","303757","2025-11-29","20:32:04",""
"7719614","6.806","0.0004","11.343","0.0005","25.0311","0.0013","90","","95.702","0.002","90","","1922.85","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Cd N4 O9 -","- C16 H28 Cd N4 O9 -","- C64 H112 Cd4 N16 O36 -","4","1","","Obuch, Jakub; Císařová, Ivana; Brus, Jiří; Hermann, Petr","DOTA complexes with divalent zinc, cadmium and mercury: X-ray and solid-state NMR studies and solution isomerism.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16535","16549","10.1039/d5dt01880c","","","0.71073","MoKα","","0.0191","0.0188","","","0.0516","0.0518","","","","","","1.124","","","","has coordinates","303724","2025-11-29","20:05:36",""
"7719615","25.0258","0.0018","18.5447","0.0013","17.764","0.002","90","","133.221","0.002","90","","6007.7","0.9","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H86 Ca2 Hg2 N8 O35 -","- C32 H86 Ca2 Hg2 N8 O35 -","- C128 H344 Ca8 Hg8 N32 O140 -","4","0.5","","Obuch, Jakub; Císařová, Ivana; Brus, Jiří; Hermann, Petr","DOTA complexes with divalent zinc, cadmium and mercury: X-ray and solid-state NMR studies and solution isomerism.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16535","16549","10.1039/d5dt01880c","","","0.71073","MoKα","","0.0603","0.0568","","","0.1316","0.1339","","","","","","1.15","","","","has coordinates,has disorder","303724","2025-11-29","20:05:40",""
"7719616","8.9961","0.0007","43.831","0.005","12.7975","0.0012","90","","106.327","0.006","90","","4842.7","0.8","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H70 Ba2 N8 O27 Zn2 -","- C32 H70 Ba2 N8 O27 Zn2 -","- C128 H280 Ba8 N32 O108 Zn8 -","4","1","","Obuch, Jakub; Císařová, Ivana; Brus, Jiří; Hermann, Petr","DOTA complexes with divalent zinc, cadmium and mercury: X-ray and solid-state NMR studies and solution isomerism.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16535","16549","10.1039/d5dt01880c","","","1.54178","CuKα","","0.1277","0.0945","","","0.2002","0.2163","","","","","","1.057","","","","has coordinates,has disorder","303724","2025-11-29","20:05:40",""
"7719617","14.6753","0.0008","15.63","0.0009","16.857","0.001","107.257","0.002","106.919","0.002","108.312","0.002","3175.1","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H96 Ba2 Cd2 N8 O40 -","- C32 H96 Ba2 Cd2 N8 O40 -","- C64 H192 Ba4 Cd4 N16 O80 -","2","1","","Obuch, Jakub; Císařová, Ivana; Brus, Jiří; Hermann, Petr","DOTA complexes with divalent zinc, cadmium and mercury: X-ray and solid-state NMR studies and solution isomerism.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16535","16549","10.1039/d5dt01880c","","","0.71073","MoKα","","0.0222","0.0218","","","0.0521","0.0523","","","","","","1.052","","","","has coordinates,has disorder","303724","2025-11-29","20:05:40",""
"7719618","17.7595","0.0013","17.8182","0.0012","20.9259","0.0014","81.131","0.002","88.647","0.002","64.396","0.002","5893.3","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H164 Ba4 Hg4 N16 O66 -","- C64 H164 Ba4 Hg4 N16 O66 -","- C128 H328 Ba8 Hg8 N32 O132 -","2","1","","Obuch, Jakub; Císařová, Ivana; Brus, Jiří; Hermann, Petr","DOTA complexes with divalent zinc, cadmium and mercury: X-ray and solid-state NMR studies and solution isomerism.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16535","16549","10.1039/d5dt01880c","","","0.71073","MoKα","","0.0213","0.0205","","","0.0532","0.0536","","","","","","1.044","","","","has coordinates,has disorder","303724","2025-11-29","20:05:40",""
"7719619","8.248","0.002","9.589","0.002","20.183","0.002","80.443","0.014","81.466","0.014","75.3","0.02","1513.1","0.5","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H38 Cl2 N4 Ni O4 P2 -","- C25 H38 Cl2 N4 Ni O4 P2 -","- C50 H76 Cl4 N8 Ni2 O8 P4 -","2","1","","Serrano-García, Juan S; Amaya-Flórez, Andrés; Arenaza-Corona, Antonino; Ramírez-Apan, María Teresa; Orjuela, Adrián L; Alí-Torres, Jorge; Flores-Alamo, Marcos; Hernandez-Ortega, Simón; Cano-Sanchez, Patricia; Morales-Morales, David","Synthesis and cytotoxic activity of morpholino-<i>s</i>-triazine derivatives of POCOP-Ni(II) pincers.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16836","16847","10.1039/d5dt01322d","","","0.71073","MoKα","","0.0819","0.0458","","","0.0911","0.1113","","","","","","1.078","","","","has coordinates","303821","2025-11-29","21:09:49",""
"7719620","10.2455","0.0012","20.249","0.002","13.7674","0.0015","90","","105.638","0.003","90","","2750.5","0.5","199","2","199","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C21 H30 Cl3 N3 Ni O3 P2 -","- C21 H30 Cl3 N3 Ni O3 P2 -","- C84 H120 Cl12 N12 Ni4 O12 P8 -","4","1","","Serrano-García, Juan S; Amaya-Flórez, Andrés; Arenaza-Corona, Antonino; Ramírez-Apan, María Teresa; Orjuela, Adrián L; Alí-Torres, Jorge; Flores-Alamo, Marcos; Hernandez-Ortega, Simón; Cano-Sanchez, Patricia; Morales-Morales, David","Synthesis and cytotoxic activity of morpholino-<i>s</i>-triazine derivatives of POCOP-Ni(II) pincers.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16836","16847","10.1039/d5dt01322d","","","0.71073","MoKα","","0.041","0.0366","","","0.0792","0.0824","","","","","","1.059","","","","has coordinates","303821","2025-11-29","21:09:52",""
"7719621","7.8857","0.0008","8.2193","0.0006","8.8245","0.0005","96.668","0.005","112.96","0.007","109.626","0.008","475.49","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Co N4 O10 -","- C14 H22 Co N4 O10 -","- C14 H22 Co N4 O10 -","1","0.5","","Malik, Magdalena; Bieńko, Alina; Boča, Roman; Titiš, Ján; Rajnák, Cyril; Świtlicka, Anna; Bieńko, Dariusz C; Ozerov, Mykhaylo; Ozarowski, Andrew","Effect of the counter anion to slow magnetic relaxation of hexacoordinate Co(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16955","16965","10.1039/d5dt01360g","","x-ray","0.71073","MoKα","","0.0385","0.0326","","","0.0754","0.078","","","","","","1.087","","","","has coordinates","303818","2025-11-29","21:06:12",""
"7719622","12.8938","0.0009","8.0126","0.0005","16.8555","0.0013","90","","90","","90","","1741.4","0.2","295","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H22 Cl2 Co N2 O4 -","- C14 H22 Cl2 Co N2 O4 -","- C56 H88 Cl8 Co4 N8 O16 -","4","0.5","","Malik, Magdalena; Bieńko, Alina; Boča, Roman; Titiš, Ján; Rajnák, Cyril; Świtlicka, Anna; Bieńko, Dariusz C; Ozerov, Mykhaylo; Ozarowski, Andrew","Effect of the counter anion to slow magnetic relaxation of hexacoordinate Co(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16955","16965","10.1039/d5dt01360g","","x-ray","0.71073","MoKα","","0.0616","0.0415","","","0.0878","0.0996","","","","","","1.062","","","","has coordinates","303818","2025-11-29","21:06:14",""
"7719623","15.4283","0.0009","12.871","0.0008","8.156","0.0005","90","","92.803","0.005","90","","1617.66","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Co N2 O6 -","- C14 H18 Co N2 O6 -","- C56 H72 Co4 N8 O24 -","4","0.5","","Malik, Magdalena; Bieńko, Alina; Boča, Roman; Titiš, Ján; Rajnák, Cyril; Świtlicka, Anna; Bieńko, Dariusz C; Ozerov, Mykhaylo; Ozarowski, Andrew","Effect of the counter anion to slow magnetic relaxation of hexacoordinate Co(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16955","16965","10.1039/d5dt01360g","","x-ray","0.71073","MoKα","","0.0354","0.03","","","0.0715","0.076","","","","","","1.1","","","","has coordinates","303818","2025-11-29","21:06:14",""
"7719624","15.122","0.0009","30.6895","0.0018","31.069","0.002","90","","98.171","0.002","90","","14272.3","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C110 H102 N18 O25 Pd2 S5 -","- C110 H102 N18 O25 Pd2 S5 -","- C440 H408 N72 O100 Pd8 S20 -","4","1","","Kumar, Ashish; Krishnaswamy, Shobhana; Chand, Dillip Kumar","Isomeric double-cavity coordination cages: to encapsulate or not to encapsulate the guest","Dalton Transactions","2025","","","","","10.1039/D5DT02147B","","","0.71073","MoKα","","0.0994","0.06","","","0.1382","0.1617","","","","","","1.021","","","","has coordinates,has disorder","302890","2025-10-15","23:54:44",""
"7719625","16.1376","0.0007","17.9172","0.0008","18.0758","0.0009","115.861","0.002","93.694","0.002","98.456","0.002","4603.1","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C179.68 H211.68 N41.68 O50 Pd3 S0.32 -","- C179.678 H211.678 N41.678 O50 Pd3 S0.322 -","- C179.678 H211.678 N41.678 O50 Pd3 S0.322 -","1","0.5","","Kumar, Ashish; Krishnaswamy, Shobhana; Chand, Dillip Kumar","Isomeric double-cavity coordination cages: to encapsulate or not to encapsulate the guest","Dalton Transactions","2025","","","","","10.1039/D5DT02147B","","","0.71073","MoKα","","0.0631","0.054","","","0.1415","0.1472","","","","","","1.098","","","","has coordinates,has disorder","302890","2025-10-15","23:54:45",""
"7719626","16.3839","0.0009","51.559","0.002","28.5511","0.0014","90","","100.781","0.002","90","","23692","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C178 H154 N32 O40 Pd3 S8 -","- C178 H154 N32 O40 Pd3 S8 -","- C712 H616 N128 O160 Pd12 S32 -","4","0.5","","Kumar, Ashish; Krishnaswamy, Shobhana; Chand, Dillip Kumar","Isomeric double-cavity coordination cages: to encapsulate or not to encapsulate the guest","Dalton Transactions","2025","","","","","10.1039/D5DT02147B","","","0.71073","MoKα","","0.0967","0.0736","","","0.219","0.2526","","","","","","1.043","","","","has coordinates,has disorder","302890","2025-10-15","23:54:45",""
"7719627","12.7983","0.0005","14.6734","0.0006","16.2264","0.0006","92.029","0.002","105.577","0.0019","109.776","0.0018","2735.27","0.19","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H51 Cl6 Co2 N6 O10 Y -","- C45 H51 Cl6 Co2 N6 O10 Y -","- C90 H102 Cl12 Co4 N12 O20 Y2 -","2","1","","Samanta, Sukhendu Bikash; Roy, Soumalya; Konieczny, Piotr; Pełka, Robert; Baran, Stanisław; Himchan, Mo; Dey, Atanu; Lee, Junseong; Das, Sourav","Exploring the magnetic anisotropy and slow relaxation in heterometallic Co<sup>II</sup>-Ln<sup>III</sup>-Co<sup>II</sup> complexes: from synthesis to <i>ab initio</i> insights.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16492","16507","10.1039/d5dt02024g","","","0.71073","MoKα","","0.0625","0.0458","","","0.1249","0.1356","","","","","","1.035","","","","has coordinates,has disorder","303717","2025-11-29","20:01:33",""
"7719628","12.8167","0.0004","14.6711","0.0005","16.2516","0.0006","92.1552","0.0018","105.467","0.0015","109.852","0.0016","2742.35","0.17","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H47 Cl6 Co2 Er N6 O9 -","- C44 H47 Cl6 Co2 Er N6 O9 -","- C88 H94 Cl12 Co4 Er2 N12 O18 -","2","1","","Samanta, Sukhendu Bikash; Roy, Soumalya; Konieczny, Piotr; Pełka, Robert; Baran, Stanisław; Himchan, Mo; Dey, Atanu; Lee, Junseong; Das, Sourav","Exploring the magnetic anisotropy and slow relaxation in heterometallic Co<sup>II</sup>-Ln<sup>III</sup>-Co<sup>II</sup> complexes: from synthesis to <i>ab initio</i> insights.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16492","16507","10.1039/d5dt02024g","","","0.71073","MoKα","","0.0323","0.0278","","","0.0696","0.072","","","","","","1.038","","","","has coordinates","303717","2025-11-29","20:01:35",""
"7719629","12.823","0.0004","14.704","0.0005","16.273","0.0005","92.309","0.002","105.374","0.002","109.928","0.002","2752.28","0.16","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H47 Cl6 Co2 Dy N6 O9 -","- C44 H47 Cl6 Co2 Dy N6 O9 -","- C88 H94 Cl12 Co4 Dy2 N12 O18 -","2","1","","Samanta, Sukhendu Bikash; Roy, Soumalya; Konieczny, Piotr; Pełka, Robert; Baran, Stanisław; Himchan, Mo; Dey, Atanu; Lee, Junseong; Das, Sourav","Exploring the magnetic anisotropy and slow relaxation in heterometallic Co<sup>II</sup>-Ln<sup>III</sup>-Co<sup>II</sup> complexes: from synthesis to <i>ab initio</i> insights.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16492","16507","10.1039/d5dt02024g","","","0.71073","MoKα","","0.0395","0.0354","","","0.0944","0.0976","","","","","","1.034","","","","has coordinates","303717","2025-11-29","20:01:35",""
"7719630","12.8633","0.0004","14.722","0.0005","16.2803","0.0005","91.9753","0.0016","105.775","0.0015","109.815","0.0015","2763.83","0.16","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H47 Cl6 Co2 Gd N6 O9 -","- C44 H47 Cl6 Co2 Gd N6 O9 -","- C88 H94 Cl12 Co4 Gd2 N12 O18 -","2","1","","Samanta, Sukhendu Bikash; Roy, Soumalya; Konieczny, Piotr; Pełka, Robert; Baran, Stanisław; Himchan, Mo; Dey, Atanu; Lee, Junseong; Das, Sourav","Exploring the magnetic anisotropy and slow relaxation in heterometallic Co<sup>II</sup>-Ln<sup>III</sup>-Co<sup>II</sup> complexes: from synthesis to <i>ab initio</i> insights.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16492","16507","10.1039/d5dt02024g","","","0.71073","MoKα","","0.0349","0.0289","","","0.0714","0.0743","","","","","","1.024","","","","has coordinates","303717","2025-11-29","20:01:35",""
"7719631","11.3017","0.0013","19.388","0.002","23.433","0.002","91.112","0.007","96.846","0.006","95.016","0.007","5076.1","0.9","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H47 Cl6 Co2 N6 O9 Tb -","- C44 H47 Cl6 Co2 N6 O9 Tb -","- C176 H188 Cl24 Co8 N24 O36 Tb4 -","4","2","","Samanta, Sukhendu Bikash; Roy, Soumalya; Konieczny, Piotr; Pełka, Robert; Baran, Stanisław; Himchan, Mo; Dey, Atanu; Lee, Junseong; Das, Sourav","Exploring the magnetic anisotropy and slow relaxation in heterometallic Co<sup>II</sup>-Ln<sup>III</sup>-Co<sup>II</sup> complexes: from synthesis to <i>ab initio</i> insights.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16492","16507","10.1039/d5dt02024g","","","0.71073","MoKα","","0.2448","0.0823","","","0.1139","0.1584","","","","","","0.974","","","","has coordinates,has disorder","303717","2025-11-29","20:01:35",""
"7719632","8.2905","0.0016","11.1335","0.0017","18.402","0.003","77.293","0.007","84.157","0.015","68.723","0.006","1543.6","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H48 Cu4 N13 O9 -","- C67 H48 Cu4 N13 O9 -","- C67 H48 Cu4 N13 O9 -","1","0.5","","Islam, Md Sanaul; Das, Pubali; Baig, K. Mohamed Yusuf; Raja, Md Hasan; Ahmed, Samim; Mondal, Md Rafikul Alam; Sarmah, Manash Pratim; Sarma, Manabendra; Kole, Goutam Kumar; Ray, Partha Pratim; Alam, Md Akhtarul","Crystallographic elucidation of an isophthalic-derived amido Schiff base Cu(II) coordination polymer: a photosensitive Schottky device.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16070","16085","10.1039/d5dt01641j","","","0.71073","MoKα","","0.0403","0.0329","","","0.0932","0.0977","","","","","","1.024","","","","has coordinates","303749","2025-11-29","20:21:57",""
"7719633","33.1654","0.0004","33.1654","0.0004","14.897","0.0003","90","","90","","120","","14190.6","0.4","130","2","130","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C28 H44 Cl2 N2 O Ru S -","- C28 H44 Cl2 N2 O Ru S -","- C504 H792 Cl36 N36 O18 Ru18 S18 -","18","1","","Guo, Chi-Xin; Eshaghi Malekshah, Rahime; Chen, Tzu-Yu; Karim, Amir; Chu, Yu-Ting; Shu, En-De; Chiu, Chien-Chih; Chien, Ching-Ming; Hsu, Sodio C. N.","Organoruthenium(II) complexes with adamantane-thiourea ligands: structural and biological insights.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17646","17661","10.1039/d5dt01959a","","","0.71073","MoKα","","0.0231","0.02","","","0.0493","0.0504","","","","","","1.075","","","","has coordinates","304107","2025-12-07","05:02:28",""
"7719634","14.9144","0.0002","11.4848","0.0001","17.1011","0.0003","90","","112.976","0.002","90","","2696.85","0.08","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8.67 H13.33 Cl0.67 N0.67 O0.33 Ru0.33 S0.33 -","- C8.66667 H13.3333 Cl0.666667 N0.666667 O0.333333 Ru0.333333 S0.333333 -","- C104 H160 Cl8 N8 O4 Ru4 S4 -","12","3","","Guo, Chi-Xin; Eshaghi Malekshah, Rahime; Chen, Tzu-Yu; Karim, Amir; Chu, Yu-Ting; Shu, En-De; Chiu, Chien-Chih; Chien, Ching-Ming; Hsu, Sodio C. N.","Organoruthenium(II) complexes with adamantane-thiourea ligands: structural and biological insights.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17646","17661","10.1039/d5dt01959a","","x-ray","0.71073","MoKα","","0.0287","0.0264","","","0.0649","0.0662","","","","","","1.034","","","","has coordinates","304107","2025-12-07","05:02:36",""
"7719635","14.488","0.0005","12.7523","0.0004","19.7959","0.0006","90","","107.429","0.003","90","","3489.5","0.2","113","2","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H44 Cl2 N2 O2 Ru S -","- C35 H44 Cl2 N2 O2 Ru S -","- C140 H176 Cl8 N8 O8 Ru4 S4 -","4","1","","Guo, Chi-Xin; Eshaghi Malekshah, Rahime; Chen, Tzu-Yu; Karim, Amir; Chu, Yu-Ting; Shu, En-De; Chiu, Chien-Chih; Chien, Ching-Ming; Hsu, Sodio C. N.","Organoruthenium(II) complexes with adamantane-thiourea ligands: structural and biological insights.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17646","17661","10.1039/d5dt01959a","","","0.71073","MoKα","","0.0732","0.0623","","","0.1596","0.1652","","","","","","1.061","","","","has coordinates,has disorder","304107","2025-12-07","05:02:36",""
"7719636","11.7394","0.0005","12.3484","0.0005","12.5179","0.0006","109.825","0.004","100.765","0.004","92.538","0.003","1665.63","0.14","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H88 Cl4 N4 O2 Ru2 S2 -","- C72 H88 Cl4 N4 O2 Ru2 S2 -","- C72 H88 Cl4 N4 O2 Ru2 S2 -","1","0.5","","Guo, Chi-Xin; Eshaghi Malekshah, Rahime; Chen, Tzu-Yu; Karim, Amir; Chu, Yu-Ting; Shu, En-De; Chiu, Chien-Chih; Chien, Ching-Ming; Hsu, Sodio C. N.","Organoruthenium(II) complexes with adamantane-thiourea ligands: structural and biological insights.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17646","17661","10.1039/d5dt01959a","","","0.71073","MoKα","","0.067","0.059","","","0.1489","0.1546","","","","","","1.051","","","","has coordinates","304107","2025-12-07","05:02:36",""
"7719637","24.8049","0.0003","27.3216","0.0003","29.8355","0.0003","96.6247","0.0009","94.5683","0.0009","112.701","0.001","18358","0.4","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C192 H158 N64 Pd8 -","- C192 H158 N64 Pd8 -","- C384 H316 N128 Pd16 -","2","1","","de Montmollin, Jean; Fadaei-Tirani, Farzaneh; Severin, Kay","Wide variability in the stability of Pd<sub>6</sub>L<sub><i>x</i></sub>-type coordination cages.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15773","15779","10.1039/d5dt02223a","","x-ray","1.54184","CuKα","","0.1544","0.1137","","","0.3637","0.3831","","","","","","1.305","","","","has coordinates","303764","2025-11-29","20:37:26",""
"7719638","19.5169","0.00015","33.34179","0.00013","22.84232","0.00014","90","","111.96","0.0008","90","","13785.7","0.17","140","0.1","140","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C201 H227.5 B12 F48 N82.5 O2 Pd6 S12 -","- C188 H208 B12 F48 N76 O2 Pd6 S12 -","- C376 H416 B24 F96 N152 O4 Pd12 S24 -","2","0.5","","de Montmollin, Jean; Fadaei-Tirani, Farzaneh; Severin, Kay","Wide variability in the stability of Pd<sub>6</sub>L<sub><i>x</i></sub>-type coordination cages.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15773","15779","10.1039/d5dt02223a","","x-ray","1.54184","CuKα","","0.0888","0.0799","","","0.2428","0.2513","","","","","","1.042","","","","has coordinates","303764","2025-11-29","20:37:29",""
"7719639","20.8469","0.00017","21.52588","0.00019","38.114","0.0003","102.088","0.0007","91.7048","0.0007","99.1616","0.0007","16475.7","0.2","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C272 H204 B12 F48 N52 Pd6 -","- C228 H138 B8 F32 N30 Pd6 -","- C456 H276 B16 F64 N60 Pd12 -","2","1","","de Montmollin, Jean; Fadaei-Tirani, Farzaneh; Severin, Kay","Wide variability in the stability of Pd<sub>6</sub>L<sub><i>x</i></sub>-type coordination cages.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15773","15779","10.1039/d5dt02223a","","x-ray","1.54184","CuKα","","0.1146","0.0894","","","0.2719","0.2919","","","","","","1.028","","","","has coordinates,has disorder","303764","2025-11-29","20:37:29",""
"7719640","42.4258","0.0003","34.96497","0.00018","32.50283","0.00012","90","","97.7376","0.0005","90","","47776.2","0.5","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C284 H226 B12 F48 N54 O4 Pd6 -","- C284 H226 B10 F40 N54 O4 Pd6 -","- C1136 H904 B40 F160 N216 O16 Pd24 -","4","0.5","","de Montmollin, Jean; Fadaei-Tirani, Farzaneh; Severin, Kay","Wide variability in the stability of Pd<sub>6</sub>L<sub><i>x</i></sub>-type coordination cages.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15773","15779","10.1039/d5dt02223a","","x-ray","1.54184","CuKα","","0.1089","0.0971","","","0.3136","0.3288","","","","","","1.39","","","","has coordinates,has disorder","303764","2025-11-29","20:37:29",""
"7719641","9.1445","0.0003","10.0879","0.0004","25.7821","0.0011","83.413","0.002","87.08","0.003","67","0.002","2174.8","0.15","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H69 Mg N3 O2 Si2 -","- C41 H69 Mg N3 O2 Si2 -","- C82 H138 Mg2 N6 O4 Si4 -","2","1","","Seifert, Fabian; Piesik, Dirk F.-J.; Portwich, Flavio L.; Kowalke, Janine; Seifert, Andreas; Matsidik, Rukiya; Görls, Helmar; Sommer, Michael; Harder, Sjoerd; Kretschmer, Robert","Mono- and dinuclear β-oxo-δ-diiminate (BODDI) based catalysts for the ring-opening polymerization of L-lactide.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15780","15794","10.1039/d5dt01934f","","","0.71073","MoKα","","0.0873","0.0593","","","0.1634","0.1824","","","","","","1.074","","","","has coordinates,has disorder","303762","2025-11-29","20:35:09",""
"7719642","22.2978","0.0003","9.7197","0.0001","22.9847","0.0004","90","","100.814","0.001","90","","4892.96","0.12","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H72 Ca2 N2 O3 -","- C53 H72 Ca2 N2 O3 -","- C212 H288 Ca8 N8 O12 -","4","1","","Seifert, Fabian; Piesik, Dirk F.-J.; Portwich, Flavio L.; Kowalke, Janine; Seifert, Andreas; Matsidik, Rukiya; Görls, Helmar; Sommer, Michael; Harder, Sjoerd; Kretschmer, Robert","Mono- and dinuclear β-oxo-δ-diiminate (BODDI) based catalysts for the ring-opening polymerization of L-lactide.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15780","15794","10.1039/d5dt01934f","","","0.71073","MoKα","","0.07","0.0508","","","0.0957","0.1039","","","","","","1.078","","","","has coordinates,has disorder","303762","2025-11-29","20:35:11",""
"7719643","13.3415","0.0002","32.3292","0.0007","15.7385","0.0003","90","","113.013","0.001","90","","6248.1","0.2","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H84 Mg2 N4 O2 -","- C62 H84 Mg2 N4 O2 -","- C248 H336 Mg8 N16 O8 -","4","0.5","","Seifert, Fabian; Piesik, Dirk F.-J.; Portwich, Flavio L.; Kowalke, Janine; Seifert, Andreas; Matsidik, Rukiya; Görls, Helmar; Sommer, Michael; Harder, Sjoerd; Kretschmer, Robert","Mono- and dinuclear β-oxo-δ-diiminate (BODDI) based catalysts for the ring-opening polymerization of L-lactide.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15780","15794","10.1039/d5dt01934f","","","0.71073","MoKα","","0.1046","0.086","","","0.1994","0.2121","","","","","","1.031","","","","has coordinates","303762","2025-11-29","20:35:21",""
"7719644","42.628","0.0011","10.7136","0.0002","10.7743","0.0002","90","","90","","90","","4920.62","0.18","133","2","133","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H77 N3 O2 Si2 Zn -","- C48 H77 N3 O2 Si2 Zn -","- C192 H308 N12 O8 Si8 Zn4 -","4","1","","Seifert, Fabian; Piesik, Dirk F.-J.; Portwich, Flavio L.; Kowalke, Janine; Seifert, Andreas; Matsidik, Rukiya; Görls, Helmar; Sommer, Michael; Harder, Sjoerd; Kretschmer, Robert","Mono- and dinuclear β-oxo-δ-diiminate (BODDI) based catalysts for the ring-opening polymerization of L-lactide.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15780","15794","10.1039/d5dt01934f","","","0.71073","MoKα","","0.0657","0.0639","","","0.1581","0.159","","","","","","1.188","","","","has coordinates,has disorder","303762","2025-11-29","20:35:21",""
"7719645","39.367","0.0006","13.5044","0.0002","20.2211","0.0002","90","","106.27","0.001","90","","10319.6","0.2","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H78 Mg2 N4 O Si4 -","- C43 H78 Mg2 N4 O Si4 -","- C344 H624 Mg16 N32 O8 Si32 -","8","1","","Seifert, Fabian; Piesik, Dirk F.-J.; Portwich, Flavio L.; Kowalke, Janine; Seifert, Andreas; Matsidik, Rukiya; Görls, Helmar; Sommer, Michael; Harder, Sjoerd; Kretschmer, Robert","Mono- and dinuclear β-oxo-δ-diiminate (BODDI) based catalysts for the ring-opening polymerization of L-lactide.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15780","15794","10.1039/d5dt01934f","","","0.71073","MoKα","","0.0697","0.054","","","0.113","0.1226","","","","","","1.057","","","","has coordinates","303762","2025-11-29","20:35:21",""
"7719646","18.7319","0.0003","20.1389","0.0002","23.8224","0.0004","90","","90","","90","","8986.8","0.2","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C49 H64 Ca2 N2 O2 -","- C49 H64 Ca2 N2 O2 -","- C392 H512 Ca16 N16 O16 -","8","1","","Seifert, Fabian; Piesik, Dirk F.-J.; Portwich, Flavio L.; Kowalke, Janine; Seifert, Andreas; Matsidik, Rukiya; Görls, Helmar; Sommer, Michael; Harder, Sjoerd; Kretschmer, Robert","Mono- and dinuclear β-oxo-δ-diiminate (BODDI) based catalysts for the ring-opening polymerization of L-lactide.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15780","15794","10.1039/d5dt01934f","","","0.71073","MoKα","","0.1044","0.066","","","0.1149","0.1325","","","","","","1.148","","","","has coordinates,has disorder","303762","2025-11-29","20:35:24",""
"7719647","14.0733","0.0004","15.6118","0.0005","17.5387","0.0004","112.076","0.002","99.197","0.002","93.601","0.002","3493.06","0.18","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H108 Ca2 N4 O5 -","- C74 H108 Ca2 N4 O5 -","- C148 H216 Ca4 N8 O10 -","2","1","","Seifert, Fabian; Piesik, Dirk F.-J.; Portwich, Flavio L.; Kowalke, Janine; Seifert, Andreas; Matsidik, Rukiya; Görls, Helmar; Sommer, Michael; Harder, Sjoerd; Kretschmer, Robert","Mono- and dinuclear β-oxo-δ-diiminate (BODDI) based catalysts for the ring-opening polymerization of L-lactide.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15780","15794","10.1039/d5dt01934f","","","0.71073","MoKα","","0.1279","0.0925","","","0.1947","0.2165","","","","","","1.089","","","","has coordinates,has disorder","303762","2025-11-29","20:35:34",""
"7719648","19.5353","0.0005","10.2316","0.0002","25.7535","0.0006","90","","102.349","0.001","90","","5028.4","0.2","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H78 N4 O Si4 Zn2 -","- C43 H78 N4 O Si4 Zn2 -","- C172 H312 N16 O4 Si16 Zn8 -","4","0.5","","Seifert, Fabian; Piesik, Dirk F.-J.; Portwich, Flavio L.; Kowalke, Janine; Seifert, Andreas; Matsidik, Rukiya; Görls, Helmar; Sommer, Michael; Harder, Sjoerd; Kretschmer, Robert","Mono- and dinuclear β-oxo-δ-diiminate (BODDI) based catalysts for the ring-opening polymerization of L-lactide.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15780","15794","10.1039/d5dt01934f","","","0.71073","MoKα","","0.049","0.0395","","","0.0767","0.0817","","","","","","1.079","","","","has coordinates","303762","2025-11-29","20:35:34",""
"7719649","15.087","0.002","17.032","0.003","22.799","0.004","110.232","0.005","92.501","0.005","90.094","0.005","5490.9","1.6","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H77 Ca N3 O3 Si2 -","- C45 H77 Ca N3 O3 Si2 -","- C180 H308 Ca4 N12 O12 Si8 -","4","2","","Seifert, Fabian; Piesik, Dirk F.-J.; Portwich, Flavio L.; Kowalke, Janine; Seifert, Andreas; Matsidik, Rukiya; Görls, Helmar; Sommer, Michael; Harder, Sjoerd; Kretschmer, Robert","Mono- and dinuclear β-oxo-δ-diiminate (BODDI) based catalysts for the ring-opening polymerization of L-lactide.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15780","15794","10.1039/d5dt01934f","","","0.71073","MoKα","","0.1213","0.0892","","","0.2453","0.2661","","","","","","1.034","","","","has coordinates,has disorder","303762","2025-11-29","20:35:34",""
"7719650","10.9376","0.0005","12.5643","0.0006","14.6202","0.0007","90.478","0.004","90.47","0.004","100.039","0.004","1978.23","0.16","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H47 N2 P3 -","- C48 H47 N2 P3 -","- C96 H94 N4 P6 -","2","1","","Popovici, Ingrid; Chen, Yujia; Bourcier, Sophie; Casaretto, Nicolas; Auffrant, Audrey","Catalytic olefin hydrosilylation with an original bis(iminophosphorane)phosphine NPN Co<sup>II</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15705","15709","10.1039/d5dt02099a","","x-ray","0.71073","MoKα","","0.0555","0.0399","","","0.1004","0.1034","","","","","","0.98","","","","has coordinates","303760","2025-11-29","20:33:34",""
"7719651","10.1288","0.0006","31.464","0.002","14.14","0.0008","90","","96.761","0.004","90","","4475","0.5","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H47 Br0.26 Cl0.74 Co F6 N2 P4 -","- C48 H47 Br0.257 Cl0.743 Co F6 N2 P4 -","- C192 H188 Br1.028 Cl2.972 Co4 F24 N8 P16 -","4","1","","Popovici, Ingrid; Chen, Yujia; Bourcier, Sophie; Casaretto, Nicolas; Auffrant, Audrey","Catalytic olefin hydrosilylation with an original bis(iminophosphorane)phosphine NPN Co<sup>II</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","42","15705","15709","10.1039/d5dt02099a","","x-ray","0.71073","MoKα","","0.0739","0.0399","","","0.0795","0.085","","","","","","0.932","","","","has coordinates,has disorder","303760","2025-11-29","20:33:34",""
"7719652","9.008","0.002","9.008","0.002","9.008","0.002","90","","90","","90","","730.9","0.3","296","","296","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ag0.742 Ni2 Zn10.258 -","- Ag0.741 Ni2 Zn10.259 -","- Ag2.964 Ni8 Zn41.036 -","4","0.0833333","","Mondal, Amit; Sethi, Siddha Sankalpa; Dutta, Jayanta; Pan, Rahul; Kuila, Sandip Kumar; Xie, Weiwei; Roy, Ahin; Jana, Partha Pratim","Site-specific substitution in the structure of Ni<sub>2</sub>Zn<sub>11</sub> by the coinage metals (<i>Cn</i> = Ag and Au) to alter the magnetism.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15395","15399","10.1039/d5dt01703c","","x-ray","0.71073","MoKα","","0.0352","0.0307","","","0.0711","0.0733","","","","1.56","1.56","1.54","","","","has coordinates","303740","2025-11-29","20:17:33",""
"7719653","8.9889","0.0013","8.9889","0.0013","8.9889","0.0013","90","","90","","90","","726.31","0.18","296","","296","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Au0.69 Ni2 Zn10.31 -","- Au0.69 Ni2 Zn10.31 -","- Au2.76 Ni8 Zn41.24 -","4","0.0833333","","Mondal, Amit; Sethi, Siddha Sankalpa; Dutta, Jayanta; Pan, Rahul; Kuila, Sandip Kumar; Xie, Weiwei; Roy, Ahin; Jana, Partha Pratim","Site-specific substitution in the structure of Ni<sub>2</sub>Zn<sub>11</sub> by the coinage metals (<i>Cn</i> = Ag and Au) to alter the magnetism.","Dalton transactions (Cambridge, England : 2003)","2025","54","41","15395","15399","10.1039/d5dt01703c","","x-ray","0.71073","MoKα","","0.0269","0.0246","","","0.0589","0.0596","","","","1.43","1.43","1.41","","","","has coordinates","303740","2025-11-29","20:17:34",""
"7719654","15.8812","0.0002","15.8812","0.0002","39.7275","0.0005","90","","90","","120","","8677.38","0.19","127.99","0.1","127.99","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H59 Cl6 Ga O18 -","- C57 H51 Cl6 Ga O18 -","- C342 H306 Cl36 Ga6 O108 -","6","0.333333","","Burke, Kirralee J.; Duffin, Rebekah N.; Andrews, Philip C.","Homoleptic gallium(III) and indium(III) <i>tris</i>(flavonolate) complexes: influence of the metal ion on antibacterial activity and mammalian cell viability.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16201","16218","10.1039/d5dt02012c","","x-ray","1.54184","CuKα","","0.0556","0.0523","","","0.1549","0.159","","","","","","1.042","","","","has coordinates,has disorder","303751","2025-11-29","20:23:23",""
"7719655","16.6961","0.0002","16.6961","0.0002","8.9832","0.0001","90","","90","","120","","2168.66","0.04","128","0.1","128","0.1","","","","","","","","4","P -3","-P 3","147","","","","- C51 H39 In O15 -","- C51 H39 In O15 -","- C102 H78 In2 O30 -","2","0.333333","","Burke, Kirralee J.; Duffin, Rebekah N.; Andrews, Philip C.","Homoleptic gallium(III) and indium(III) <i>tris</i>(flavonolate) complexes: influence of the metal ion on antibacterial activity and mammalian cell viability.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16201","16218","10.1039/d5dt02012c","","x-ray","1.54184","CuKα","","0.0347","0.0321","","","0.0806","0.0826","","","","","","1.07","","","","has coordinates","303751","2025-11-29","20:23:23",""
"7719656","15.6033","0.0002","15.6033","0.0002","39.9739","0.0005","90","","90","","120","","8428.3","0.19","127.99","0.1","127.99","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C57 H51 Cl6 In O18 -","- C54 H45 In O18 -","- C324 H270 In6 O108 -","6","0.333333","","Burke, Kirralee J.; Duffin, Rebekah N.; Andrews, Philip C.","Homoleptic gallium(III) and indium(III) <i>tris</i>(flavonolate) complexes: influence of the metal ion on antibacterial activity and mammalian cell viability.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16201","16218","10.1039/d5dt02012c","","x-ray","1.54184","CuKα","","0.0338","0.033","","","0.084","0.0845","","","","","","1.063","","","","has coordinates","303751","2025-11-29","20:23:23",""
"7719657","14.9079","0.0002","15.0015","0.0002","16.0866","0.0002","90.983","0.001","114.043","0.001","119.067","0.001","2765.47","0.08","128","0.1","128","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 Cl4 In N3 O10 -","- C59 H60 Cl4 In N3 O10 -","- C118 H120 Cl8 In2 N6 O20 -","2","1","","Burke, Kirralee J.; Duffin, Rebekah N.; Andrews, Philip C.","Homoleptic gallium(III) and indium(III) <i>tris</i>(flavonolate) complexes: influence of the metal ion on antibacterial activity and mammalian cell viability.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16201","16218","10.1039/d5dt02012c","","x-ray","1.54184","CuKα","","0.0618","0.0602","","","0.1639","0.1656","","","","","","1.05","","","","has coordinates,has disorder","303751","2025-11-29","20:23:23",""
"7719658","9.9163","0.0005","10.5974","0.0006","10.7689","0.0006","66.868","0.002","72.951","0.002","63.04","0.002","918.4","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- Br4 I2 O13 S4 -","- Br4 I2 O13 S4 -","- Br8 I4 O26 S8 -","2","1","","Langwald, Jan; Gomila, Rosa M.; van Gerven, David; Frontera, Antonio; Wickleder, Mathias S.","Introducing (inter-)halogen polysulfates - a study on the influence of halogen bonding on weakly coordinating anions.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16095","16105","10.1039/d5dt02088c","","","0.56086","AgKα","","0.0366","0.0333","","","0.0876","0.0905","","","","","","1.033","","","","has coordinates","303756","2025-11-29","20:31:26",""
"7719659","7.9212","0.0005","9.5248","0.0006","9.6628","0.0006","103.951","0.002","113.986","0.002","100.298","0.002","614.13","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- Cl4 I2 O7 S2 -","- Cl4 I2 O7 S2 -","- Cl8 I4 O14 S4 -","2","1","","Langwald, Jan; Gomila, Rosa M.; van Gerven, David; Frontera, Antonio; Wickleder, Mathias S.","Introducing (inter-)halogen polysulfates - a study on the influence of halogen bonding on weakly coordinating anions.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16095","16105","10.1039/d5dt02088c","","","0.71073","MoKα","","0.0404","0.035","","","0.0649","0.0683","","","","","","1.067","","","","has coordinates","303756","2025-11-29","20:31:27",""
"7719660","5.1607","0.0004","21.9573","0.0015","8.807","0.0006","90","","94.233","0.003","90","","995.24","0.12","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Li2 O13 S4 -","- Li2 O13 S4 -","- Li8 O52 S16 -","4","1","","Langwald, Jan; Gomila, Rosa M.; van Gerven, David; Frontera, Antonio; Wickleder, Mathias S.","Introducing (inter-)halogen polysulfates - a study on the influence of halogen bonding on weakly coordinating anions.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16095","16105","10.1039/d5dt02088c","","","0.71073","MoKα","","0.061","0.0371","","","0.0809","0.0961","","","","","","1.068","","","","has coordinates","303756","2025-11-29","20:31:27",""
"7719661","5.3543","0.0003","8.4943","0.0005","9.8162","0.0007","82.489","0.002","78.136","0.002","85.217","0.002","432.43","0.05","104","","104","","","","","","","","","5","P -1","-P 1","2","","","","- Cl2 H I O7 S2 -","- Cl2 H I O7 S2 -","- Cl4 H2 I2 O14 S4 -","2","1","","Langwald, Jan; Gomila, Rosa M.; van Gerven, David; Frontera, Antonio; Wickleder, Mathias S.","Introducing (inter-)halogen polysulfates - a study on the influence of halogen bonding on weakly coordinating anions.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16095","16105","10.1039/d5dt02088c","","","0.71073","MoKα","","0.0286","0.0261","","","0.0589","0.0602","","","","","","1.106","","","","has coordinates","303756","2025-11-29","20:31:27",""
"7719662","15.356","0.0008","13.916","0.0008","20.8785","0.0013","90","","103.504","0.002","90","","4338.3","0.4","100","","100","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- I12 O29 S9 -","- I12 O29 S9 -","- I48 O116 S36 -","4","1","","Langwald, Jan; Gomila, Rosa M.; van Gerven, David; Frontera, Antonio; Wickleder, Mathias S.","Introducing (inter-)halogen polysulfates - a study on the influence of halogen bonding on weakly coordinating anions.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16095","16105","10.1039/d5dt02088c","","","0.71073","MoKα","","0.0409","0.0387","","","0.0832","0.0838","","","","","","1.194","","","","has coordinates","303756","2025-11-29","20:31:27",""
"7719663","8.8344","0.0003","10.7537","0.0005","14.2997","0.0005","77.077","0.003","84.333","0.003","80.686","0.003","1303.88","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H38 Br2 N6 O8 Re2 -","- C58 H38 Br2 N6 O8 Re2 -","- C58 H38 Br2 N6 O8 Re2 -","1","0.5","","Kedia, Moon; Khatun, Sajmina; Arumugam, Ramar; Putta, Chandra Lekha; Shankar, Bhaskaran; Phukon, Upasana; Chandrasekhar, Vadapalli; Rengan, Aravind Kumar; Sathiyendiran, Malaichamy","Dirhenium core-based cyclic and acyclic helicates as anticancer agents for breast cancer and skin cancer cells.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16550","16561","10.1039/d5dt01778e","","","0.71073","MoKα","","0.0623","0.0523","","","0.1317","0.1368","","","","","","1.039","","","","has coordinates","303721","2025-11-29","20:03:44",""
"7719664","8.9344","0.0002","16.4337","0.0004","17.0034","0.0004","90","","91.369","0.002","90","","2495.82","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H32 Br2 N4 O10 Re2 -","- C56 H32 Br2 N4 O10 Re2 -","- C112 H64 Br4 N8 O20 Re4 -","2","0.5","","Kedia, Moon; Khatun, Sajmina; Arumugam, Ramar; Putta, Chandra Lekha; Shankar, Bhaskaran; Phukon, Upasana; Chandrasekhar, Vadapalli; Rengan, Aravind Kumar; Sathiyendiran, Malaichamy","Dirhenium core-based cyclic and acyclic helicates as anticancer agents for breast cancer and skin cancer cells.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16550","16561","10.1039/d5dt01778e","","","0.71073","MoKα","","0.0494","0.0401","","","0.1157","0.1195","","","","","","1.072","","","","has coordinates","303721","2025-11-29","20:03:46",""
"7719665","11.868","0.003","16.021","0.005","24.569","0.007","73.724","0.01","81.45","0.01","81.869","0.01","4410","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H64 N8 O9 Re2 -","- C87 H64 N8 O9 Re2 -","- C174 H128 N16 O18 Re4 -","2","1","","Kedia, Moon; Khatun, Sajmina; Arumugam, Ramar; Putta, Chandra Lekha; Shankar, Bhaskaran; Phukon, Upasana; Chandrasekhar, Vadapalli; Rengan, Aravind Kumar; Sathiyendiran, Malaichamy","Dirhenium core-based cyclic and acyclic helicates as anticancer agents for breast cancer and skin cancer cells.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16550","16561","10.1039/d5dt01778e","","","0.71073","MoKα","","0.0799","0.046","","","0.1077","0.1174","","","","","","1.021","","","","has coordinates,has disorder","303721","2025-11-29","20:03:46",""
"7719666","11.907","0.004","15.98","0.005","21.286","0.007","95.328","0.012","99.706","0.012","108.576","0.011","3737","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H67 N9 O8 Re2 -","- C88 H67 N9 O8 Re2 -","- C176 H134 N18 O16 Re4 -","2","1","","Kedia, Moon; Khatun, Sajmina; Arumugam, Ramar; Putta, Chandra Lekha; Shankar, Bhaskaran; Phukon, Upasana; Chandrasekhar, Vadapalli; Rengan, Aravind Kumar; Sathiyendiran, Malaichamy","Dirhenium core-based cyclic and acyclic helicates as anticancer agents for breast cancer and skin cancer cells.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16550","16561","10.1039/d5dt01778e","","","0.71073","MoKα","","0.072","0.0471","","","0.1024","0.1119","","","","","","1.065","","","","has coordinates,has disorder","303721","2025-11-29","20:03:46",""
"7719667","14.3586","0.0003","13.8397","0.0003","15.6337","0.0004","90","","90.711","0.001","90","","3106.47","0.12","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H76 Cl3 Dy N6 O15 -","- C57 H76 Cl3 Dy N6 O15 -","- C114 H152 Cl6 Dy2 N12 O30 -","2","1","","Dong, Xiang-Tao; Zhu, Ting; Zhang, Rong-Yan; Peng, Guo; Fu, Lijun; Ren, Xiao-Ming","From 1D to 3D: dimensional control of low-coordinate lanthanide coordination polymers with SMM behavior and white-light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16805","16813","10.1039/d5dt02266e","","","0.71073","MoKα","","0.0399","0.0324","","","0.0741","0.0772","","","","","","1.038","","","","has coordinates,has disorder","303827","2025-11-29","21:17:03",""
"7719668","20.8029","0.0012","20.6147","0.0014","17.7986","0.0011","90","","116.797","0.002","90","","6813.2","0.7","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H60 Dy F9 N6 O18 S3 -","- C57 H60 Dy F9 N6 O18 S3 -","- C228 H240 Dy4 F36 N24 O72 S12 -","4","0.5","","Dong, Xiang-Tao; Zhu, Ting; Zhang, Rong-Yan; Peng, Guo; Fu, Lijun; Ren, Xiao-Ming","From 1D to 3D: dimensional control of low-coordinate lanthanide coordination polymers with SMM behavior and white-light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16805","16813","10.1039/d5dt02266e","","","0.71073","MoKα","","0.0954","0.0826","","","0.2297","0.2411","","","","","","1.083","","","","has coordinates,has disorder","303827","2025-11-29","21:17:04",""
"7719669","10.1389","0.0011","13.1621","0.0014","14.2513","0.0015","74.195","0.002","73.041","0.002","77.071","0.002","1728.7","0.3","196","","196","","","","","","","","","7","P -1","-P 1","2","","","","- C57 H58 Dy F9 N6 O17 S3 -","- C57 H58 Dy F9 N6 O17 S3 -","- C57 H58 Dy F9 N6 O17 S3 -","1","0.5","","Dong, Xiang-Tao; Zhu, Ting; Zhang, Rong-Yan; Peng, Guo; Fu, Lijun; Ren, Xiao-Ming","From 1D to 3D: dimensional control of low-coordinate lanthanide coordination polymers with SMM behavior and white-light emission.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16805","16813","10.1039/d5dt02266e","","","0.71073","MoKα","","0.0645","0.0583","","","0.1639","0.1985","","","","","","1.076","","","","has coordinates","303827","2025-11-29","21:17:04",""
"7719670","10.5541","0.0004","20.8052","0.0007","14.3671","0.0006","90","","95.52","0.002","90","","3140.1","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Cr N7 -","- C36 H48 Cr N7 -","- C144 H192 Cr4 N28 -","4","1","","Moore, Jewelianna M.; Vaught, Brennan M.; Miller, Tabitha J.; Nunn, George; Elford, Lindsey S.; Gullett, Kelly L.; Walton, Paul H.; Fout, Alison R.","Exploring early transition metal coordination: a synthetic and computational study of tripodal ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16177","16182","10.1039/d5dt01888a","","x-ray","0.71073","MoKα","","0.0541","0.0504","","","0.1227","0.1247","","","","","","1.167","","","","has coordinates","303752","2025-11-29","20:23:52",""
"7719671","9.0932","0.0002","19.1304","0.0004","21.7114","0.0004","90","","90","","90","","3776.84","0.13","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H58 N7 O Ti -","- C40 H58 N7 O Ti -","- C160 H232 N28 O4 Ti4 -","4","1","","Moore, Jewelianna M.; Vaught, Brennan M.; Miller, Tabitha J.; Nunn, George; Elford, Lindsey S.; Gullett, Kelly L.; Walton, Paul H.; Fout, Alison R.","Exploring early transition metal coordination: a synthetic and computational study of tripodal ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16177","16182","10.1039/d5dt01888a","","x-ray","0.71073","MoKα","","0.0339","0.0288","","","0.0684","0.0717","","","","","","1.055","","","","has coordinates,has disorder","303752","2025-11-29","20:23:53",""
"7719672","10.5749","0.0009","20.9201","0.0015","14.2707","0.0011","90","","95.455","0.004","90","","3142.8","0.4","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 N7 V -","- C36 H48 N7 V -","- C144 H192 N28 V4 -","4","1","","Moore, Jewelianna M.; Vaught, Brennan M.; Miller, Tabitha J.; Nunn, George; Elford, Lindsey S.; Gullett, Kelly L.; Walton, Paul H.; Fout, Alison R.","Exploring early transition metal coordination: a synthetic and computational study of tripodal ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16177","16182","10.1039/d5dt01888a","","x-ray","0.71073","MoKα","","0.0984","0.0577","","","0.125","0.1414","","","","","","1.02","","","","has coordinates","303752","2025-11-29","20:23:53",""
"7719673","10.7803","0.0005","20.8514","0.0009","14.1302","0.0006","90","","95.334","0.0017","90","","3162.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Mo N7 -","- C36 H48 Mo N7 -","- C144 H192 Mo4 N28 -","4","1","","Moore, Jewelianna M.; Vaught, Brennan M.; Miller, Tabitha J.; Nunn, George; Elford, Lindsey S.; Gullett, Kelly L.; Walton, Paul H.; Fout, Alison R.","Exploring early transition metal coordination: a synthetic and computational study of tripodal ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","16177","16182","10.1039/d5dt01888a","","x-ray","0.71073","MoKα","","0.0408","0.0371","","","0.0969","0.0992","","","","","","1.084","","","","has coordinates","303752","2025-11-29","20:23:53",""
"7719674","9.0082","0.0004","9.6017","0.0004","18.8374","0.0007","90","","100.827","0.001","90","","1600.32","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O2 Pt -","- C18 H16 N2 O2 Pt -","- C72 H64 N8 O8 Pt4 -","4","1","","Sosunov, Egor A.; Tatarin, Sergei V.; Skabitsky, Ivan V.; Panina, Maria V.; Son, Alexandra G.; Yakushev, Ilya A.","One-pot straightforward access to a cyclometalated acetate platinum(II) complex exhibiting mechanochromic luminescence.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16677","16681","10.1039/d5dt01895a","","","0.71073","MoKα","","0.0246","0.0185","","","0.0366","0.0379","","","","","","1.049","","","","has coordinates","303828","2025-11-29","21:17:28",""
"7719675","10.2011","0.0005","13.4445","0.0007","23.1888","0.0012","90","","102.308","0.002","90","","3107.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 Pt -","- C18 H16 N2 O2 Pt -","- C144 H128 N16 O16 Pt8 -","8","2","","Sosunov, Egor A.; Tatarin, Sergei V.; Skabitsky, Ivan V.; Panina, Maria V.; Son, Alexandra G.; Yakushev, Ilya A.","One-pot straightforward access to a cyclometalated acetate platinum(II) complex exhibiting mechanochromic luminescence.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16677","16681","10.1039/d5dt01895a","","","0.71073","MoKα","","0.0272","0.0203","","","0.0407","0.0418","","","","","","1.051","","","","has coordinates","303828","2025-11-29","21:17:29",""
"7719676","10.83","0.0008","9.5036","0.0006","45.462","0.003","90","","93.776","0.004","90","","4669","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O2 Pt -","- C18 H16 N2 O2 Pt -","- C216 H192 N24 O24 Pt12 -","12","3","","Sosunov, Egor A.; Tatarin, Sergei V.; Skabitsky, Ivan V.; Panina, Maria V.; Son, Alexandra G.; Yakushev, Ilya A.","One-pot straightforward access to a cyclometalated acetate platinum(II) complex exhibiting mechanochromic luminescence.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16677","16681","10.1039/d5dt01895a","","","1.54178","CuKα","","0.0927","0.054","","","0.1348","0.1626","","","","","","1.132","","","","has coordinates","303828","2025-11-29","21:17:29",""
"7719677","12.674","0.0002","15.7863","0.0002","16.602","0.0003","113.853","0.003","99.635","0.002","101.492","0.002","2860.85","0.12","100","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H58 Ag Cl2 Ir N5 -","- C71 H58 Ag Cl2 Ir N5 -","- C142 H116 Ag2 Cl4 Ir2 N10 -","2","1","","Szydełko, Kinga; Koniarz, Sebastian; Białek, Michał J; Chmielewski, Piotr J.","Imidazo[1,5]carbachlorin as a hybrid ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16461","16474","10.1039/d4dt03034f","","","1.54184","CuKα","","0.0254","0.023","","","0.0583","0.0593","","","","","","1.055","","","","has coordinates,has disorder","303719","2025-11-29","20:02:35",""
"7719678","16.486","0.0002","9.1588","0.00012","30.2897","0.0004","90","","92.7667","0.0012","90","","4568.17","0.1","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H45 Ag0.94 Au0.9 Cl2.84 N5 -","- C50 H36 Ag0.94 Au0.9 Cl0.84 N5 -","- C200 H144 Ag3.76 Au3.6 Cl3.36 N20 -","4","1","","Szydełko, Kinga; Koniarz, Sebastian; Białek, Michał J; Chmielewski, Piotr J.","Imidazo[1,5]carbachlorin as a hybrid ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16461","16474","10.1039/d4dt03034f","","x-ray","1.54184","CuKα","","0.0663","0.0623","","","0.1553","0.1578","","","","","","1.037","","","","has coordinates,has disorder","303719","2025-11-29","20:02:37",""
"7719679","19.8854","0.0004","27.5952","0.0006","8.02367","0.00019","90","","96.673","0.002","90","","4373.09","0.17","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45.5 H30 Au2 Cl6 N4 -","- C44 H27 Au2 Cl3 N4 -","- C176 H108 Au8 Cl12 N16 -","4","0.5","","Szydełko, Kinga; Koniarz, Sebastian; Białek, Michał J; Chmielewski, Piotr J.","Imidazo[1,5]carbachlorin as a hybrid ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16461","16474","10.1039/d4dt03034f","","x-ray","1.54184","CuKα","","0.0921","0.085","","","0.2273","0.2318","","","","","","1.117","","","","has coordinates,has disorder","303719","2025-11-29","20:02:39",""
"7719680","9.41147","0.00018","14.0313","0.0003","16.8034","0.0003","110.896","0.0017","94.6483","0.0015","100.451","0.0016","2012.83","0.07","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H30 Au1.9 Cl4.7 N5 -","- C47 H30 Au1.9 Cl4.7 N5 -","- C94 H60 Au3.8 Cl9.4 N10 -","2","1","","Szydełko, Kinga; Koniarz, Sebastian; Białek, Michał J; Chmielewski, Piotr J.","Imidazo[1,5]carbachlorin as a hybrid ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16461","16474","10.1039/d4dt03034f","","","1.54184","CuKα","","0.0415","0.0372","","","0.0902","0.0921","","","","","","1.056","","","","has coordinates,has disorder","303719","2025-11-29","20:02:39",""
"7719681","17.828","0.0003","17.8484","0.00018","18.3446","0.0002","73.528","0.001","71.5735","0.0012","88.9914","0.0011","5294.04","0.13","99.99","0.17","99.99","0.17","","","","","","","","6","P -1","-P 1","2","","","","- C130 H95 B6 Cl4 N10 O6 -","- C128 H91 B6 N10 O6 -","- C256 H182 B12 N20 O12 -","2","1","","Szydełko, Kinga; Koniarz, Sebastian; Białek, Michał J; Chmielewski, Piotr J.","Imidazo[1,5]carbachlorin as a hybrid ligand.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16461","16474","10.1039/d4dt03034f","","x-ray","1.54184","CuKα","","0.0575","0.0499","","","0.1328","0.1376","","","","","","1.028","","","","has coordinates,has disorder","303719","2025-11-29","20:02:39",""
"7719682","11.0535","0.0007","16.0382","0.0011","24.2436","0.0016","77.05","0.001","86.049","0.001","74.414","0.001","4034.4","0.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H40 Cu2 F6 N5 O7 P S2 -","- C35 H36 Cu2 F6 N5 O7 P S2 -","- C140 H144 Cu8 F24 N20 O28 P4 S8 -","4","2","","Durigon, Daniele Cocco; Ribeiro, Ronny R.; Espindola-Moreno, Olivia; Leon, Ignacio; Poneti, Giordano; Bortoluzzi, Adailton J.; Peralta, Rosely","Structural Influences on the Oxidation and Anticancer Activities of Dicopper(II) Complexes Containing Different Selenium and Sulfur Ligands","Dalton Transactions","2025","","","","","10.1039/D5DT01324K","","","0.71073","MoKα","","0.0765","0.0566","","","0.1421","0.1568","","","","","","1.028","","","","has coordinates,has disorder","303026","2025-10-28","10:00:30",""
"7719683","10.5476","0.0009","13.193","0.0011","15.8744","0.0013","106.774","0.001","107.998","0.001","99.503","0.001","1931.5","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H42 Cl Cu2 N5 O11 S2 -","- C36 H40 Cl Cu2 N5 O11 S2 -","- C72 H80 Cl2 Cu4 N10 O22 S4 -","2","1","","Durigon, Daniele C.; Ribeiro, Ronny R.; Espindola-Moreno, Olivia; León, Ignacio E; Poneti, Giordano; Bortoluzzi, Adailton J.; Peralta, Rosely A.","Structural influences on the oxidation and anticancer activities of dicopper(II) complexes containing different selenium and sulfur ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17495","17506","10.1039/d5dt01324k","","","0.71073","MoKα","","0.0515","0.041","","","0.1058","0.1148","","","","","","1.034","","","","has coordinates,has disorder","304112","2025-12-07","05:31:59",""
"7719684","10.5206","0.0007","13.5021","0.001","15.8176","0.0011","108.004","0.001","105.868","0.001","99.799","0.001","1974.2","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H42.5 Cl Cu2 N5 O11.25 S Se -","- C36 H40 Cl Cu2 N5 O11.25 S Se -","- C72 H80 Cl2 Cu4 N10 O22.5 S2 Se2 -","2","1","","Durigon, Daniele C.; Ribeiro, Ronny R.; Espindola-Moreno, Olivia; León, Ignacio E; Poneti, Giordano; Bortoluzzi, Adailton J.; Peralta, Rosely A.","Structural influences on the oxidation and anticancer activities of dicopper(II) complexes containing different selenium and sulfur ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17495","17506","10.1039/d5dt01324k","","","0.71073","MoKα","","0.0781","0.0471","","","0.1083","0.1249","","","","","","1.026","","","","has coordinates,has disorder","304112","2025-12-07","05:32:11",""
"7719685","23.037","0.003","10.1719","0.0014","23.904","0.003","90","","94.804","0.002","90","","5581.7","1.3","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C61 H59 B Cu2 F3 N5 O6 S Se -","- C61 H59 B Cu2 F3 N5 O6 S Se -","- C244 H236 B4 Cu8 F12 N20 O24 S4 Se4 -","4","1","","Durigon, Daniele C.; Ribeiro, Ronny R.; Espindola-Moreno, Olivia; León, Ignacio E; Poneti, Giordano; Bortoluzzi, Adailton J.; Peralta, Rosely A.","Structural influences on the oxidation and anticancer activities of dicopper(II) complexes containing different selenium and sulfur ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17495","17506","10.1039/d5dt01324k","","","0.71073","MoKα","","0.0523","0.0366","","","0.0813","0.0869","","","","","","1.049","","","","has coordinates","304112","2025-12-07","05:32:11",""
"7719686","10.6135","0.0008","13.3125","0.001","15.8655","0.0012","107.871","0.002","107.737","0.001","99.341","0.002","1949.5","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H41 Br Cl Cu2 N5 O11 S2 -","- C36 H41 Br Cl Cu2 N5 O11 S2 -","- C72 H82 Br2 Cl2 Cu4 N10 O22 S4 -","2","1","","Durigon, Daniele C.; Ribeiro, Ronny R.; Espindola-Moreno, Olivia; León, Ignacio E; Poneti, Giordano; Bortoluzzi, Adailton J.; Peralta, Rosely A.","Structural influences on the oxidation and anticancer activities of dicopper(II) complexes containing different selenium and sulfur ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17495","17506","10.1039/d5dt01324k","","","0.71073","MoKα","","0.0608","0.0429","","","0.0874","0.0967","","","","","","1.064","","","","has coordinates,has disorder","304112","2025-12-07","05:32:11",""
"7719687","7.5728","0.0003","12.5739","0.0005","18.3288","0.0007","83.105","0.003","86.778","0.003","88.408","0.003","1729.51","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H13 Cl2 Co N3 O -","- C19 H13 Cl2 Co N3 O -","- C76 H52 Cl8 Co4 N12 O4 -","4","2","","Choroba, Katarzyna; Machura, Barbara; Bieńko, Alina; Sawka, Jacek; Bieńko, Dariusz C; Rajnák, Cyril; Titiš, Ján; Boča, Roman; Ozerov, Mykhaylo; Ozarowski, Andrew","Further insights into controlling the anisotropy of pentacoordinate Co(II) field-supported single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16973","16985","10.1039/d5dt02098k","","","0.71073","MoKα","","0.0499","0.034","","","0.0749","0.0801","","","","","","1.032","","","","has coordinates","303830","2025-11-29","21:18:37",""
"7719688","8.374","0.0009","10.0249","0.0014","12.009","0.002","74.073","0.014","78.339","0.013","88.565","0.011","948.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl2 Co N4 -","- C20 H16 Cl2 Co N4 -","- C40 H32 Cl4 Co2 N8 -","2","1","","Choroba, Katarzyna; Machura, Barbara; Bieńko, Alina; Sawka, Jacek; Bieńko, Dariusz C; Rajnák, Cyril; Titiš, Ján; Boča, Roman; Ozerov, Mykhaylo; Ozarowski, Andrew","Further insights into controlling the anisotropy of pentacoordinate Co(II) field-supported single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16973","16985","10.1039/d5dt02098k","","","0.71073","MoKα","","0.0517","0.0365","","","0.0795","0.0855","","","","","","1.03","","","","has coordinates","303830","2025-11-29","21:18:39",""
"7719689","10.5959","0.0006","19.8922","0.001","14.4642","0.0007","90","","90.389","0.002","90","","3048.6","0.3","154.99","","154.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Cl3 N O2 P Re -","- C32 H26 Cl3 N O2 P Re -","- C128 H104 Cl12 N4 O8 P4 Re4 -","4","1","","Sinha, Ankita; Banerjee, Suparna; Sen, Suphal; Ghosh, Aniruddha; Dey, Arindam; Naskar, Tilak; Singh, Tejender; Gangopadhyay, Jaydip","Dual deoxygenation in an α-ketoimine chelated rhenium(III) complex: structural and mechanistic interpretations.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17137","17150","10.1039/d5dt01782c","","","0.71073","MoKα","","0.0514","0.043","","","0.1054","0.1101","","","","","","1.058","","","","has coordinates","303796","2025-11-29","20:54:17",""
"7719690","11.0316","0.0009","13.7471","0.0012","15.4809","0.0013","75.994","0.002","76.868","0.002","80.556","0.002","2203.5","0.3","297","","297","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H31 Cl5 N2 O2 P Re -","- C38 H29 Cl3 N2 O2 P Re -","- C76 H58 Cl6 N4 O4 P2 Re2 -","2","1","","Sinha, Ankita; Banerjee, Suparna; Sen, Suphal; Ghosh, Aniruddha; Dey, Arindam; Naskar, Tilak; Singh, Tejender; Gangopadhyay, Jaydip","Dual deoxygenation in an α-ketoimine chelated rhenium(III) complex: structural and mechanistic interpretations.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17137","17150","10.1039/d5dt01782c","","","0.71073","MoKα","","0.0446","0.0371","","","0.0765","0.0831","","","","","","1.16","","","","has coordinates,has disorder","303796","2025-11-29","20:54:18",""
"7719691","14.4728","0.0003","15.3959","0.0003","16.2884","0.0003","62.384","0.002","63.923","0.002","86.703","0.002","2839.37","0.13","99.98","0.1","99.98","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C76 H160 K4 N12 O24 Ru Sn12 -","- C76 H160 K4 N12 O24 Ru Sn12 -","- C76 H160 K4 N12 O24 Ru Sn12 -","1","0.5","","Mondal, Sourav; Huang, Ya-Shan; Sun, Zhong-Ming; McGrady, John E.","Degrees of distortion: synthesis, structure and bonding in approximately icosahedral [Ru@Sn<sub>12</sub>]<sup>4</sup>.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16986","16992","10.1039/d5dt02068a","","x-ray","1.54184","CuKα","","0.0527","0.0488","","","0.1347","0.1373","","","","","","1.0425","","","","has coordinates","303817","2025-11-29","21:05:50",""
"7719692","11.4872","0.0002","15.336","0.0002","17.325","0.0003","90","","105.645","0.002","90","","2939.03","0.09","301","0.1","301.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Cl5 N4 P Pd -","- C27 H22 Cl5 N4 P Pd -","- C108 H88 Cl20 N16 P4 Pd4 -","4","1","","Kaur, Bhupinder; Saha, Dipannita; Balakrishna, Maravanji S.","Triazolyl-phosphine with pyridyl functionality: Pd<sup>II</sup>/Pt<sup>II</sup> complexes and selective transfer semi-hydrogenation of alkynes using ethanol as a hydrogen source.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16900","16910","10.1039/d5dt02108a","","","0.71073","MoKα","","0.0409","0.0325","","","0.0809","0.0868","","","","","","1.057","","","","has coordinates","303829","2025-11-29","21:18:11",""
"7719693","14.4562","0.0005","11.8937","0.0004","19.2306","0.0006","90","","92.955","0.001","90","","3302.07","0.19","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Cl2 N4 O4 P Pd -","- C31 H29 Cl2 N4 O4 P Pd -","- C124 H116 Cl8 N16 O16 P4 Pd4 -","4","1","","Kaur, Bhupinder; Saha, Dipannita; Balakrishna, Maravanji S.","Triazolyl-phosphine with pyridyl functionality: Pd<sup>II</sup>/Pt<sup>II</sup> complexes and selective transfer semi-hydrogenation of alkynes using ethanol as a hydrogen source.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16900","16910","10.1039/d5dt02108a","","","0.71073","MoKα","","0.0478","0.0363","","","0.0873","0.0931","","","","","","1.032","","","","has coordinates","303829","2025-11-29","21:18:15",""
"7719694","16.4484","0.0005","9.2221","0.0003","32.1864","0.0011","90","","98.49","0.003","90","","4828.8","0.3","150","0.1","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H21 Cl2 N4 P Pd -","- C26.5 H21 Cl2 N4 P Pd -","- C212 H168 Cl16 N32 P8 Pd8 -","8","1","","Kaur, Bhupinder; Saha, Dipannita; Balakrishna, Maravanji S.","Triazolyl-phosphine with pyridyl functionality: Pd<sup>II</sup>/Pt<sup>II</sup> complexes and selective transfer semi-hydrogenation of alkynes using ethanol as a hydrogen source.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16900","16910","10.1039/d5dt02108a","","","0.71073","MoKα","","0.069","0.0435","","","0.0935","0.1074","","","","","","1.031","","","","has coordinates","303829","2025-11-29","21:18:15",""
"7719695","17.6989","0.0004","12.3264","0.0003","11.0533","0.0003","90","","94.164","0.002","90","","2405.06","0.1","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N4 O2 P Pd -","- C28 H23 N4 O2 P Pd -","- C112 H92 N16 O8 P4 Pd4 -","4","1","","Kaur, Bhupinder; Saha, Dipannita; Balakrishna, Maravanji S.","Triazolyl-phosphine with pyridyl functionality: Pd<sup>II</sup>/Pt<sup>II</sup> complexes and selective transfer semi-hydrogenation of alkynes using ethanol as a hydrogen source.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16900","16910","10.1039/d5dt02108a","","x-ray","0.71073","MoKα","","0.0291","0.0267","","","0.0657","0.0671","","","","","","1.051","","","","has coordinates","303829","2025-11-29","21:18:15",""
"7719696","11.4362","0.0002","15.2791","0.0002","17.1189","0.0003","90","","106.261","0.002","90","","2871.61","0.09","150","0.1","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Cl5 N4 P Pt -","- C27 H22 Cl5 N4 P Pt -","- C108 H88 Cl20 N16 P4 Pt4 -","4","1","","Kaur, Bhupinder; Saha, Dipannita; Balakrishna, Maravanji S.","Triazolyl-phosphine with pyridyl functionality: Pd<sup>II</sup>/Pt<sup>II</sup> complexes and selective transfer semi-hydrogenation of alkynes using ethanol as a hydrogen source.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16900","16910","10.1039/d5dt02108a","","","0.71073","MoKα","","0.0228","0.021","","","0.0417","0.0425","","","","","","1.071","","","","has coordinates","303829","2025-11-29","21:18:15",""
"7719697","11.6472","0.0005","13.1169","0.0008","14.0288","0.0009","62.52","0.004","80.734","0.004","70.827","0.004","1795.85","0.19","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C88 H86 Ge2 N2 -","- C88 H86 Ge2 N2 -","- C88 H86 Ge2 N2 -","1","0.5","","Kryuchenkova, Alina A.; Ilichev, Vasily A.; Rumyantsev, Roman V.; Zhao, Yanxia; Dodonov, Vladimir A.","Strongly emitting Ge(II) imide complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16605","16610","10.1039/d5dt02112j","","","1.34139","GaKα","","0.0503","0.0492","","","0.1351","0.1362","","","","","","1.05","","","","has coordinates,has disorder","303723","2025-11-29","20:04:30",""
"7719698","22.8553","0.0007","12.1881","0.0002","24.0188","0.0006","90","","110.608","0.003","90","","6262.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H68 Cl2 Ge2 N2 -","- C80.014 H68.016 Cl2 Ge2 N2 -","- C320.056 H272.064 Cl8 Ge8 N8 -","4","1","","Kryuchenkova, Alina A.; Ilichev, Vasily A.; Rumyantsev, Roman V.; Zhao, Yanxia; Dodonov, Vladimir A.","Strongly emitting Ge(II) imide complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16605","16610","10.1039/d5dt02112j","","","0.71073","MoKα","","0.0768","0.0427","","","0.081","0.0922","","","","","","1.027","","","","has coordinates,has disorder","303723","2025-11-29","20:04:31",""
"7719699","11.11","0.0003","11.11","0.0003","6.5362","0.0002","90","","90","","90","","806.78","0.04","123","0.1","123","0.1","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C13 H13 B Mn N8 O2 -","- C13 H13 B Mn N8 O2 -","- C26 H26 B2 Mn2 N16 O4 -","2","0.25","","Li, Minhong; Zhong, Jingran; Liao, Chengjie; Fan, Wenjuan; Lu, Jin; Zhang, Dexiang; Wen, Tian; Jiang, Zhiqiang","A neutral Mn(II)-BIF for electrocatalytic oxygen reduction reaction.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17414","17417","10.1039/d5dt01965f","","x-ray","1.54184","CuKα","","0.0575","0.0551","","","0.1424","0.1447","","","","","","1.085","","","","has coordinates,has disorder","304110","2025-12-07","05:10:29",""
"7719700","14.0892","0.0003","14.517","0.0002","16.7295","0.0003","85.667","0.001","89.071","0.001","88.314","0.001","3410.14","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H29 Cl3 N7 O2.5 -","- C41 H29 Cl3 N7 O2.5 -","- C164 H116 Cl12 N28 O10 -","4","2","","Ibbott, Alexandra R.; Horton, Peter N.; Coles, Simon J.; Pope, Simon J. A.","Combined colourimetric and turn-on luminescence from a redox-switchable 2-aza-anthraquinone bridged dimetallic assembly.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","15986","15990","10.1039/d5dt02287h","","x-ray","1.54178","CuKα","K-L~3~","0.107","0.0863","","","0.244","0.2583","","","","","","1.026","","","","has coordinates,has disorder","303744","2025-11-29","20:19:09",""
"7719701","12.6625","0.0002","8.7179","0.0001","17.5626","0.0003","90","","108.862","0.002","90","","1834.63","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N3 O2 -","- C25 H17 N3 O2 -","- C100 H68 N12 O8 -","4","1","","Ibbott, Alexandra R.; Horton, Peter N.; Coles, Simon J.; Pope, Simon J. A.","Combined colourimetric and turn-on luminescence from a redox-switchable 2-aza-anthraquinone bridged dimetallic assembly.","Dalton transactions (Cambridge, England : 2003)","2025","54","43","15986","15990","10.1039/d5dt02287h","","x-ray","1.54178","CuKα","","0.0432","0.0375","","","0.1053","0.11","","","","","","1.052","","","","has coordinates,has disorder","303744","2025-11-29","20:19:09",""
"7719702","8.7013","0.0006","11.4009","0.0008","22.8138","0.0016","90","","100.052","0.002","90","","2228.4","0.3","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","0151-2","","- C26 H20 N3 P S -","- C26 H20 N3 P S -","- C104 H80 N12 P4 S4 -","4","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Group 10 complexes of benzothiazolehydrazone- and imidazo[1,5-<i>a</i>]pyridine-based ligands: structural artistry, biophysical study, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16939","16954","10.1039/d5dt02077h","","x-ray","0.71073","MoKα","","0.0886","0.0588","","","0.127","0.146","","","","","","1.085","","","","has coordinates","303826","2025-11-29","21:16:16",""
"7719703","9.3318","0.0007","9.3849","0.0007","13.455","0.001","98.32","0.002","95.446","0.002","93.969","0.002","1156.57","0.15","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H18 Cl N3 P Pt S -","- C26 H18 Cl N3 P Pt S -","- C52 H36 Cl2 N6 P2 Pt2 S2 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Group 10 complexes of benzothiazolehydrazone- and imidazo[1,5-<i>a</i>]pyridine-based ligands: structural artistry, biophysical study, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16939","16954","10.1039/d5dt02077h","","x-ray","0.71073","MoKα","","0.0324","0.028","","","0.0685","0.0739","","","","","","1.193","","","","has coordinates","303826","2025-11-29","21:16:17",""
"7719704","11.1827","0.0018","14.391","0.002","8.961","0.0014","90","","94.316","0.005","90","","1438","0.4","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","151-13","","- C17 H12 N4 S -","- C17 H12 N4 S -","- C68 H48 N16 S4 -","4","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Group 10 complexes of benzothiazolehydrazone- and imidazo[1,5-<i>a</i>]pyridine-based ligands: structural artistry, biophysical study, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16939","16954","10.1039/d5dt02077h","","x-ray","0.71073","MoKα","","0.128","0.1029","","","0.2123","0.2363","","","","","","1.072","","","","has coordinates","303826","2025-11-29","21:16:17",""
"7719705","18.587","0.005","13.925","0.004","18.008","0.005","90","","107.237","0.007","90","","4452","2","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1071Ni","","- C22 H18.62 Cl N3 Ni0.5 O3 -","- C22 H16.619 Cl N3 Ni0.5 O2 -","- C176 H132.952 Cl8 N24 Ni4 O16 -","8","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Group 10 complexes of benzothiazolehydrazone- and imidazo[1,5-<i>a</i>]pyridine-based ligands: structural artistry, biophysical study, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16939","16954","10.1039/d5dt02077h","","","0.71073","MoKα","","0.084","0.0736","","","0.1929","0.2052","","","","","","1.063","","","","has coordinates,has disorder","303826","2025-11-29","21:16:17",""
"7719706","11.6471","0.0009","7.1498","0.0006","19.4907","0.0016","90","","92.906","0.002","90","","1621","0.2","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C17 H11 N7 Pd S -","- C17 H11 N7 Pd S -","- C68 H44 N28 Pd4 S4 -","4","2","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Group 10 complexes of benzothiazolehydrazone- and imidazo[1,5-<i>a</i>]pyridine-based ligands: structural artistry, biophysical study, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16939","16954","10.1039/d5dt02077h","","x-ray","0.71073","MoKα","","0.0899","0.0716","","","0.138","0.1469","","","","","","1.134","","","","has coordinates","303826","2025-11-29","21:16:17",""
"7719707","8.4325","0.0004","8.482","0.0004","17.7255","0.0007","78.823","0.001","82.736","0.001","85.099","0.001","1231.36","0.1","295","","295","","","","","","","","","8","P -1","-P 1","2","","","","- C26 H20 Cl N4 O3 P Pd S -","- C26 H20 Cl N4 O3 P Pd S -","- C52 H40 Cl2 N8 O6 P2 Pd2 S2 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Group 10 complexes of benzothiazolehydrazone- and imidazo[1,5-<i>a</i>]pyridine-based ligands: structural artistry, biophysical study, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16939","16954","10.1039/d5dt02077h","","x-ray","0.71073","MoKα","","0.1183","0.0996","","","0.1895","0.1999","","","","","","1.248","","","","has coordinates","303826","2025-11-29","21:16:17",""
"7719708","9.3817","0.0013","9.4039","0.0007","13.3104","0.0015","95.326","0.007","98.449","0.01","94.143","0.008","1152.1","0.2","293","","293","","","","","","","","","7","P -1","-P 1","2","","151-2Pd","","- C26 H19 Cl N3 P Pd S -","- C26 H19 Cl N3 P Pd S -","- C52 H38 Cl2 N6 P2 Pd2 S2 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Group 10 complexes of benzothiazolehydrazone- and imidazo[1,5-<i>a</i>]pyridine-based ligands: structural artistry, biophysical study, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16939","16954","10.1039/d5dt02077h","","x-ray","0.71073","MoKα","","0.0853","0.0597","","","0.1205","0.141","","","","","","1.016","","","","has coordinates","303826","2025-11-29","21:16:17",""
"7719709","9.348","0.005","9.433","0.005","13.167","0.007","95.999","0.013","97.705","0.013","95.51","0.013","1137.1","1","295","","295","","","","","","","","","7","P -1","-P 1","2","","151-2Ni","","- C26 H19 Cl N3 Ni P S -","- C26 H19 Cl N3 Ni P S -","- C52 H38 Cl2 N6 Ni2 P2 S2 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Group 10 complexes of benzothiazolehydrazone- and imidazo[1,5-<i>a</i>]pyridine-based ligands: structural artistry, biophysical study, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16939","16954","10.1039/d5dt02077h","","x-ray","0.71073","MoKα","","0.0262","0.0245","","","0.0637","0.0654","","","","","","1.029","","","","has coordinates","303826","2025-11-29","21:16:17",""
"7719710","12.3793","0.0017","11.6425","0.0017","23.695","0.003","90","","90","","90","","3415.1","0.8","297","","297","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H15 N3 O -","- C22 H15 N3 O -","- C176 H120 N24 O8 -","8","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Group 10 complexes of benzothiazolehydrazone- and imidazo[1,5-<i>a</i>]pyridine-based ligands: structural artistry, biophysical study, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16939","16954","10.1039/d5dt02077h","","x-ray","0.71073","MoKα","","0.0705","0.049","","","0.1055","0.1232","","","","","","1.114","","","","has coordinates","303826","2025-11-29","21:16:17",""
"7719711","10.6337","0.0007","17.0662","0.0012","14.0797","0.001","90","","99.029","0.002","90","","2523.5","0.3","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N3 Ni O2 P S -","- C28 H22 N3 Ni O2 P S -","- C112 H88 N12 Ni4 O8 P4 S4 -","4","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Group 10 complexes of benzothiazolehydrazone- and imidazo[1,5-<i>a</i>]pyridine-based ligands: structural artistry, biophysical study, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16939","16954","10.1039/d5dt02077h","","x-ray","0.71073","MoKα","","0.0428","0.0322","","","0.0681","0.0786","","","","","","1.16","","","","has coordinates","303826","2025-11-29","21:16:17",""
"7719712","12.3044","0.0007","13.6953","0.0007","15.0805","0.0008","96.009","0.002","90.406","0.002","116.412","0.001","2259.4","0.2","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H38 N6 Ni P2 S2 -","- C52 H38 N6 Ni P2 S2 -","- C104 H76 N12 Ni2 P4 S4 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Group 10 complexes of benzothiazolehydrazone- and imidazo[1,5-<i>a</i>]pyridine-based ligands: structural artistry, biophysical study, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16939","16954","10.1039/d5dt02077h","","x-ray","0.71073","MoKα","","0.0898","0.0679","","","0.1782","0.2156","","","","","","1.095","","","","has coordinates","303826","2025-11-29","21:16:17",""
"7719713","16.8185","0.0011","9.8468","0.0006","27.1783","0.0018","90","","97.679","0.002","90","","4460.6","0.5","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","151-2pdp","","- C52 H38 N6 P2 Pd S2 -","- C52 H38 N6 P2 Pd S2 -","- C208 H152 N24 P8 Pd4 S8 -","4","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Group 10 complexes of benzothiazolehydrazone- and imidazo[1,5-<i>a</i>]pyridine-based ligands: structural artistry, biophysical study, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16939","16954","10.1039/d5dt02077h","","x-ray","0.71073","MoKα","","0.1879","0.0671","","","0.1388","0.2206","","","","","","1.145","","","","has coordinates","303826","2025-11-29","21:16:17",""
"7719714","10.9869","0.0013","27.353","0.003","10.369","0.0012","90","","92.335","0.003","90","","3113.6","0.6","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Cl N4 Pt S -","- C17 H11 Cl N4 Pt S -","- C136 H88 Cl8 N32 Pt8 S8 -","8","2","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Group 10 complexes of benzothiazolehydrazone- and imidazo[1,5-<i>a</i>]pyridine-based ligands: structural artistry, biophysical study, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16939","16954","10.1039/d5dt02077h","","x-ray","0.71073","MoKα","","0.1111","0.0787","","","0.1957","0.2459","","","","","","1.163","","","","has coordinates","303826","2025-11-29","21:16:17",""
"7719715","7.5855","0.0006","10.3456","0.0008","20.0121","0.0016","90","","90.958","0.002","90","","1570.3","0.2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Cl N4 Pd S -","- C17 H11 Cl N4 Pd S -","- C68 H44 Cl4 N16 Pd4 S4 -","4","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Group 10 complexes of benzothiazolehydrazone- and imidazo[1,5-<i>a</i>]pyridine-based ligands: structural artistry, biophysical study, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16939","16954","10.1039/d5dt02077h","","x-ray","0.71073","MoKα","","0.1274","0.0864","","","0.1887","0.2411","","","","","","1.09","","","","has coordinates","303826","2025-11-29","21:16:17",""
"7719716","9.4104","0.0003","17.5319","0.0006","20.6855","0.0007","90","","97.574","0.003","90","","3383","0.2","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","151-13Ni","","- C34 H22 N8 Ni S2 -","- C34 H22 N8 Ni S2 -","- C136 H88 N32 Ni4 S8 -","4","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Group 10 complexes of benzothiazolehydrazone- and imidazo[1,5-<i>a</i>]pyridine-based ligands: structural artistry, biophysical study, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16939","16954","10.1039/d5dt02077h","","x-ray","0.71073","MoKα","","0.0866","0.0708","","","0.1747","0.1844","","","","","","1.08","","","","has coordinates","303826","2025-11-29","21:16:17",""
"7719717","12.5372","0.0014","7.6654","0.0009","37.269","0.004","90","","95.687","0.003","90","","3564","0.7","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Cl N3 O Pt -","- C22 H14 Cl N3 O Pt -","- C176 H112 Cl8 N24 O8 Pt8 -","8","2","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Group 10 complexes of benzothiazolehydrazone- and imidazo[1,5-<i>a</i>]pyridine-based ligands: structural artistry, biophysical study, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16939","16954","10.1039/d5dt02077h","","x-ray","0.71073","MoKα","","0.0414","0.0272","","","0.0565","0.0652","","","","","","1.087","","","","has coordinates","303826","2025-11-29","21:16:17",""
"7719718","8.7513","0.0005","8.7657","0.0005","15.7709","0.0009","74.933","0.002","83.167","0.002","81.074","0.002","1150.14","0.11","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H19 Br N3 Ni P S -","- C26 H19 Br N3 Ni P S -","- C52 H38 Br2 N6 Ni2 P2 S2 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Group 10 complexes of benzothiazolehydrazone- and imidazo[1,5-<i>a</i>]pyridine-based ligands: structural artistry, biophysical study, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16939","16954","10.1039/d5dt02077h","","x-ray","0.71073","MoKα","","0.0516","0.0332","","","0.0691","0.0835","","","","","","1.093","","","","has coordinates","303826","2025-11-29","21:16:17",""
"7719719","6.8398","0.0013","9.4762","0.0019","14.79","0.003","90","","92.653","0.006","90","","957.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 O8 U -","- C4 H10 O8 U -","- C16 H40 O32 U4 -","4","1","","Krot, Anna D.; Grigoriev, Mikhail S.; Pankin, Ilia A.; Guda, Alexander A.; Fedoseev, Alexander M.","Crystallography, DFT study and nature of the bonding in the series of AnO<sub>2</sub><sup>2+</sup> acetates (An = U, Np, Pu).","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16848","16856","10.1039/d5dt01005e","","","0.71073","MoKα","","0.0492","0.0379","","","0.0876","0.0927","","","","","","1.056","","","","has coordinates","303822","2025-11-29","21:10:12",""
"7719720","6.8194","0.0004","9.4879","0.0006","14.782","0.0009","90","","92.768","0.002","90","","955.31","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 Np O8 -","- C4 H10 Np O8 -","- C16 H40 Np4 O32 -","4","1","","Krot, Anna D.; Grigoriev, Mikhail S.; Pankin, Ilia A.; Guda, Alexander A.; Fedoseev, Alexander M.","Crystallography, DFT study and nature of the bonding in the series of AnO<sub>2</sub><sup>2+</sup> acetates (An = U, Np, Pu).","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16848","16856","10.1039/d5dt01005e","","","0.71073","MoKα","","0.0492","0.0389","","","0.0855","0.0898","","","","","","1.079","","","","has coordinates","303822","2025-11-29","21:10:13",""
"7719721","9.6547","0.0013","6.8416","0.0009","14.92","0.002","90","","90","","90","","985.5","0.2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H10 O8 U -","- C4 H10 O8 U -","- C16 H40 O32 U4 -","4","0.5","","Krot, Anna D.; Grigoriev, Mikhail S.; Pankin, Ilia A.; Guda, Alexander A.; Fedoseev, Alexander M.","Crystallography, DFT study and nature of the bonding in the series of AnO<sub>2</sub><sup>2+</sup> acetates (An = U, Np, Pu).","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16848","16856","10.1039/d5dt01005e","","","0.71073","MoKα","","0.0318","0.0195","","","0.0313","0.0333","","","","","","0.983","","","","has coordinates","303822","2025-11-29","21:10:13",""
"7719722","6.803","0.0006","9.5082","0.001","14.7705","0.0014","90","","92.636","0.004","90","","954.41","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 O8 Pu -","- C4 H10 O8 Pu -","- C16 H40 O32 Pu4 -","4","1","","Krot, Anna D.; Grigoriev, Mikhail S.; Pankin, Ilia A.; Guda, Alexander A.; Fedoseev, Alexander M.","Crystallography, DFT study and nature of the bonding in the series of AnO<sub>2</sub><sup>2+</sup> acetates (An = U, Np, Pu).","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16848","16856","10.1039/d5dt01005e","","","0.71073","MoKα","","0.0768","0.0512","","","0.09","0.0978","","","","","","1.12","","","","has coordinates","303822","2025-11-29","21:10:14",""
"7719723","13.276","0.002","14.873","0.003","15.524","0.003","90","","101.201","0.005","90","","3006.9","1","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H62 Au2 F12 N2 P4 Sb2 -","- C60 H62 Au2 F12 N2 P4 Sb2 -","- C120 H124 Au4 F24 N4 P8 Sb4 -","2","0.5","","van Staden, Christo; Kroon, Robin E.; Matthews, Cameron; Moskaleva, Lyudmila V.; Otukile, Kgalaletso P.; Kama, Dumisani V.; Schutte-Smith, Marietjie; Visser, Hendrik G.","Ligand and counter-ion effects on the photoluminescence of dinuclear bis(diphenylphosphino)amine gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16393","16409","10.1039/d5dt02181b","","","0.71073","MoKα","","0.0154","0.0148","","","0.034","0.0343","","","","","","1.078","","","","has coordinates","303720","2025-11-29","20:03:05",""
"7719724","13.3906","0.0018","14.0726","0.0017","15.241","0.002","90","","96.341","0.005","90","","2854.5","0.6","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H54 Au2 F12 N2 P4 Sb2 -","- C56 H54 Au2 F12 N2 P4 Sb2 -","- C112 H108 Au4 F24 N4 P8 Sb4 -","2","0.5","","van Staden, Christo; Kroon, Robin E.; Matthews, Cameron; Moskaleva, Lyudmila V.; Otukile, Kgalaletso P.; Kama, Dumisani V.; Schutte-Smith, Marietjie; Visser, Hendrik G.","Ligand and counter-ion effects on the photoluminescence of dinuclear bis(diphenylphosphino)amine gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16393","16409","10.1039/d5dt02181b","","","0.71073","MoKα","","0.0202","0.0168","","","","0.0391","","","","","","1.075","","","","has coordinates","303720","2025-11-29","20:03:08",""
"7719725","13.4678","0.0016","14.5368","0.0018","15.349","0.002","90","","100.419","0.004","90","","2955.5","0.6","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 Au2 F12 N2 P4 Sb2 -","- C56 H58 Au2 F12 N2 P4 Sb2 -","- C112 H116 Au4 F24 N4 P8 Sb4 -","2","0.5","","van Staden, Christo; Kroon, Robin E.; Matthews, Cameron; Moskaleva, Lyudmila V.; Otukile, Kgalaletso P.; Kama, Dumisani V.; Schutte-Smith, Marietjie; Visser, Hendrik G.","Ligand and counter-ion effects on the photoluminescence of dinuclear bis(diphenylphosphino)amine gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16393","16409","10.1039/d5dt02181b","","","0.71073","MoKα","","0.0239","0.0203","","","0.0396","0.041","","","","","","1.034","","","","has coordinates,has disorder","303720","2025-11-29","20:03:08",""
"7719726","11.517","0.003","15.366","0.003","16.743","0.004","90","","98.55","0.007","90","","2930.1","1.2","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 Au2 F12 N2 P4 Sb2 -","- C56 H58 Au2 F12 N2 P4 Sb2 -","- C112 H116 Au4 F24 N4 P8 Sb4 -","2","0.5","","van Staden, Christo; Kroon, Robin E.; Matthews, Cameron; Moskaleva, Lyudmila V.; Otukile, Kgalaletso P.; Kama, Dumisani V.; Schutte-Smith, Marietjie; Visser, Hendrik G.","Ligand and counter-ion effects on the photoluminescence of dinuclear bis(diphenylphosphino)amine gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16393","16409","10.1039/d5dt02181b","","","0.71073","MoKα","","0.048","0.0393","","","0.0862","0.0914","","","","","","1.109","","","","has coordinates,has disorder","303720","2025-11-29","20:03:08",""
"7719727","13.308","0.003","13.308","0.003","14.509","0.003","90","0.03","90","0.03","120","0.03","2225.3","1.1","273","2","273","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- B15 K7 Mg0.88 O30 Y2 Zn0.12 -","- B15 K7 Mg0.878 O30 Y2 Zn0.122 -","- B45 K21 Mg2.634 O90 Y6 Zn0.366 -","3","0.166667","","Song, Yixin; Yu, Hongwei; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesising a series of promising ultraviolet nonlinear optical materials with the aid of the flexibility of isolated [B<sub>5</sub>O<sub>10</sub>] groups.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16356","16362","10.1039/d5dt01944c","","","0.71073","MoKα","","0.0515","0.0344","","","0.0626","0.0673","","","","","","1.033","","","","has coordinates","303715","2025-11-29","19:59:18",""
"7719728","13.1081","0.0006","13.1081","0.0006","14.7851","0.001","90","","90","","120","","2200.1","0.2","273","2","273","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B45 K21 O90 Sc5.89 Sr2.51 -","- B45 K21 O90 Sc5.886 Sr2.505 -","- B45 K21 O90 Sc5.886 Sr2.505 -","1","0.0555556","","Song, Yixin; Yu, Hongwei; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesising a series of promising ultraviolet nonlinear optical materials with the aid of the flexibility of isolated [B<sub>5</sub>O<sub>10</sub>] groups.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16356","16362","10.1039/d5dt01944c","","","0.71073","MoKα","","0.0596","0.0406","","","0.0933","0.1076","","","","","","0.829","","","","has coordinates","303715","2025-11-29","19:59:18",""
"7719729","13.1417","0.0004","13.1417","0.0004","15.5703","0.0007","90","","90","","120","","2328.79","0.14","273","2","273","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Na1.5 O30 Rb6 Y2.5 -","- B15 Na1.5 O30 Rb6 Y2.5 -","- B45 Na4.5 O90 Rb18 Y7.5 -","3","0.166667","","Song, Yixin; Yu, Hongwei; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesising a series of promising ultraviolet nonlinear optical materials with the aid of the flexibility of isolated [B<sub>5</sub>O<sub>10</sub>] groups.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16356","16362","10.1039/d5dt01944c","","","0.71073","MoKα","","0.0772","0.0566","","","0.1429","0.1561","","","","","","1.082","","","","has coordinates","303715","2025-11-29","19:59:18",""
"7719730","13.1562","0.0007","13.1562","0.0007","31.063","0.003","90","","90","","120","","4656.2","0.6","273","2","273","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Na3.7 O30 Rb5.3 Y2 -","- B15 Na3.697 O30 Rb5.304 Y2 -","- B90 Na22.182 O180 Rb31.824 Y12 -","6","0.333333","","Song, Yixin; Yu, Hongwei; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesising a series of promising ultraviolet nonlinear optical materials with the aid of the flexibility of isolated [B<sub>5</sub>O<sub>10</sub>] groups.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16356","16362","10.1039/d5dt01944c","","","0.71073","MoKα","","0.1168","0.0589","","","0.1512","0.184","","","","","","1.018","","","","has coordinates","303715","2025-11-29","19:59:18",""
"7719731","12.9882","0.0013","12.9882","0.0013","14.33","0.002","90","","90","","120","","2093.5","0.4","273","2","273","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 K7 Mg O30 Sc2 -","- B15 K7 Mg O30 Sc2 -","- B45 K21 Mg3 O90 Sc6 -","3","0.166667","","Song, Yixin; Yu, Hongwei; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesising a series of promising ultraviolet nonlinear optical materials with the aid of the flexibility of isolated [B<sub>5</sub>O<sub>10</sub>] groups.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16356","16362","10.1039/d5dt01944c","","","0.71073","MoKα","","0.0821","0.0462","","","0.0856","0.0982","","","","","","1.032","","","","has coordinates","303715","2025-11-29","19:59:18",""
"7719732","13.0953","0.0015","13.0953","0.0015","15.2036","0.0019","90","","90","","120","","2257.9","0.5","273","2","273","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 K6 Na1.82 O29.67 Y2.18 -","- B15 K6 Na1.82 O29.67 Y2.18 -","- B45 K18 Na5.46 O89.01 Y6.54 -","3","0.166667","","Song, Yixin; Yu, Hongwei; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesising a series of promising ultraviolet nonlinear optical materials with the aid of the flexibility of isolated [B<sub>5</sub>O<sub>10</sub>] groups.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16356","16362","10.1039/d5dt01944c","","","0.71073","MoKα","","0.0887","0.058","","","0.1342","0.1596","","","","","","1.055","","","","has coordinates","303715","2025-11-29","19:59:18",""
"7719733","12.719","0.002","12.719","0.002","16.241","0.005","90","","90","","120","","2275.4","0.9","273","2","273","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- B15 Ba K6 Li0.94 O30 Y2.06 -","- B15 Ba K6 Li0.943 O30 Y2.057 -","- B45 Ba3 K18 Li2.829 O90 Y6.171 -","3","0.166667","","Song, Yixin; Yu, Hongwei; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesising a series of promising ultraviolet nonlinear optical materials with the aid of the flexibility of isolated [B<sub>5</sub>O<sub>10</sub>] groups.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16356","16362","10.1039/d5dt01944c","","","0.71073","MoKα","","0.0561","0.0405","","","0.0831","0.0909","","","","","","1.041","","","","has coordinates","303715","2025-11-29","19:59:18",""
"7719734","12.773","0.003","12.773","0.003","16.136","0.005","90","","90","","120","","2279.9","1","273","2","273","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- B15 Ba K6 Na O30 Y2 -","- B15 Ba K6 Na O30 Y2 -","- B45 Ba3 K18 Na3 O90 Y6 -","3","0.166667","","Song, Yixin; Yu, Hongwei; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesising a series of promising ultraviolet nonlinear optical materials with the aid of the flexibility of isolated [B<sub>5</sub>O<sub>10</sub>] groups.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16356","16362","10.1039/d5dt01944c","","","0.71073","MoKα","","0.0789","0.0517","","","0.1165","0.1291","","","","","","1.07","","","","has coordinates","303715","2025-11-29","19:59:18",""
"7719735","13.6197","0.0008","16.5022","0.001","18.7841","0.0012","97.99","0.002","90.083","0.002","93.983","0.002","4170.5","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H110 Al4 Cl2 N8 -","- C81 H110 Al4 Cl2 N8 -","- C162 H220 Al8 Cl4 N16 -","2","1","","Acuña, Alejandra; Villegas-Escobar, Nery; Gómez Zamorano, Fernando; Keim-Gyllen, Nicole; Mallet-Ladeira, Sonia; Maerten, Eddy; Madec, David; Rojas, René S","Tetra- and penta-coordinated aluminum complexes with bis-amidine ligands and their reactivity for efficient CO<sub>2</sub> transformation to cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17180","17188","10.1039/d5dt02221e","","","0.71073","MoKα","","0.1051","0.0746","","","0.2087","0.2388","","","","","","1.025","","","","has coordinates,has disorder","303788","2025-11-29","20:51:59",""
"7719736","13.0156","0.0003","13.0496","0.0003","29.8921","0.0007","90","","98.306","0.001","90","","5023.9","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 Al2 I4 N4 -","- C48 H54 Al2 I4 N4 -","- C192 H216 Al8 I16 N16 -","4","1","","Acuña, Alejandra; Villegas-Escobar, Nery; Gómez Zamorano, Fernando; Keim-Gyllen, Nicole; Mallet-Ladeira, Sonia; Maerten, Eddy; Madec, David; Rojas, René S","Tetra- and penta-coordinated aluminum complexes with bis-amidine ligands and their reactivity for efficient CO<sub>2</sub> transformation to cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17180","17188","10.1039/d5dt02221e","","","0.71073","MoKα","","0.0847","0.0411","","","0.0758","0.089","","","","","","1.026","","","","has coordinates,has disorder","303788","2025-11-29","20:52:02",""
"7719737","8.5287","0.0004","18.4913","0.0008","13.9375","0.0006","90","","99.727","0.002","90","","2166.44","0.17","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Fe P S -","- C27 H23 Fe P S -","- C108 H92 Fe4 P4 S4 -","4","1","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination, and catalytic application of phosphinoferrocene ligands bearing flexible thienyl and thiazolyl pendants.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16611","16628","10.1039/d5dt02216a","","","0.71073","MoKα","","0.036","0.0318","","","0.068","0.0695","","","","","","1.11","","","","has coordinates,has disorder","303716","2025-11-29","20:00:39",""
"7719738","13.6239","0.0004","7.8232","0.0002","21.8916","0.0007","90","","96.704","0.001","90","","2317.31","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 Fe P S -","- C27 H35 Fe P S -","- C108 H140 Fe4 P4 S4 -","4","1","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination, and catalytic application of phosphinoferrocene ligands bearing flexible thienyl and thiazolyl pendants.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16611","16628","10.1039/d5dt02216a","","","0.71073","MoKα","","0.0252","0.0244","","","0.0647","0.0653","","","","","","1.038","","","","has coordinates,has disorder","303716","2025-11-29","20:00:40",""
"7719739","12.8754","0.0007","13.8595","0.0008","33.249","0.002","82.959","0.002","85.539","0.002","75.627","0.002","5697.2","0.6","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H24 Cl4 Fe N P Pd S -","- C27 H24 Cl4 Fe N P Pd S -","- C216 H192 Cl32 Fe8 N8 P8 Pd8 S8 -","8","4","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination, and catalytic application of phosphinoferrocene ligands bearing flexible thienyl and thiazolyl pendants.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16611","16628","10.1039/d5dt02216a","","","0.71073","MoKα","","0.0296","0.0275","","","0.0594","0.0604","","","","","","1.065","","","","has coordinates","303716","2025-11-29","20:00:40",""
"7719740","11.0368","0.0002","12.7503","0.0003","16.351","0.0004","90","","98.395","0.001","90","","2276.3","0.09","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 Cl2 Fe2 P2 Pd S2 -","- C54 H46 Cl2 Fe2 P2 Pd S2 -","- C108 H92 Cl4 Fe4 P4 Pd2 S4 -","2","0.5","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination, and catalytic application of phosphinoferrocene ligands bearing flexible thienyl and thiazolyl pendants.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16611","16628","10.1039/d5dt02216a","","","0.71073","MoKα","","0.0239","0.0236","","","0.0585","0.0587","","","","","","1.087","","","","has coordinates,has disorder","303716","2025-11-29","20:00:40",""
"7719741","10.8384","0.0004","10.8772","0.0004","11.7745","0.0004","80.317","0.001","66.367","0.001","88.618","0.001","1252.13","0.08","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H70 Cl2 Fe2 P2 Pd S2 -","- C54 H70 Cl2 Fe2 P2 Pd S2 -","- C54 H70 Cl2 Fe2 P2 Pd S2 -","1","0.5","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination, and catalytic application of phosphinoferrocene ligands bearing flexible thienyl and thiazolyl pendants.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16611","16628","10.1039/d5dt02216a","","","0.71073","MoKα","","0.0213","0.0208","","","0.0523","0.0526","","","","","","1.049","","","","has coordinates,has disorder","303716","2025-11-29","20:00:40",""
"7719742","19.4516","0.0011","16.5443","0.0007","16.2609","0.0008","90","","91.825","0.002","90","","5230.3","0.5","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C53 H46 Cl6 Fe2 N2 P2 Pd2 S2 -","- C53 H46 Cl6 Fe2 N2 P2 Pd2 S2 -","- C212 H184 Cl24 Fe8 N8 P8 Pd8 S8 -","4","1","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination, and catalytic application of phosphinoferrocene ligands bearing flexible thienyl and thiazolyl pendants.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16611","16628","10.1039/d5dt02216a","","","0.71073","MoKα","","0.0656","0.0596","","","0.1202","0.123","","","","","","1.225","","","","has coordinates,has disorder","303716","2025-11-29","20:00:40",""
"7719743","10.6292","0.0012","14.2889","0.0017","17.484","0.002","90","","99.942","0.004","90","","2615.6","0.5","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H70 Cl4 Fe2 P2 Pd2 S2 -","- C54 H70 Cl4 Fe2 P2 Pd2 S2 -","- C108 H140 Cl8 Fe4 P4 Pd4 S4 -","2","0.5","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination, and catalytic application of phosphinoferrocene ligands bearing flexible thienyl and thiazolyl pendants.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16611","16628","10.1039/d5dt02216a","","","0.71073","MoKα","","0.0713","0.0564","","","0.0985","0.1033","","","","","","1.195","","","","has coordinates,has disorder","303716","2025-11-29","20:00:40",""
"7719744","10.9837","0.0005","12.6909","0.0005","16.3131","0.0007","90","","99.153","0.002","90","","2244.98","0.17","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Cl2 Fe2 N2 P2 Pd S2 -","- C52 H44 Cl2 Fe2 N2 P2 Pd S2 -","- C104 H88 Cl4 Fe4 N4 P4 Pd2 S4 -","2","0.5","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination, and catalytic application of phosphinoferrocene ligands bearing flexible thienyl and thiazolyl pendants.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16611","16628","10.1039/d5dt02216a","","","0.71073","MoKα","","0.0233","0.0229","","","0.0553","0.0555","","","","","","1.122","","","","has coordinates,has disorder","303716","2025-11-29","20:00:40",""
"7719745","9.3576","0.0004","16.7762","0.0009","27.5564","0.0014","90","","90","","90","","4325.9","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Fe N P S -","- C26 H22 Fe N P S -","- C208 H176 Fe8 N8 P8 S8 -","8","1","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination, and catalytic application of phosphinoferrocene ligands bearing flexible thienyl and thiazolyl pendants.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16611","16628","10.1039/d5dt02216a","","","0.71073","MoKα","","0.0355","0.0321","","","0.0777","0.0796","","","","","","1.056","","","","has coordinates","303716","2025-11-29","20:00:40",""
"7719746","8.6415","0.0003","9.5305","0.0003","26.4474","0.0008","90","","94.896","0.001","90","","2170.2","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Fe P S -","- C27 H23 Fe P S -","- C108 H92 Fe4 P4 S4 -","4","1","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination, and catalytic application of phosphinoferrocene ligands bearing flexible thienyl and thiazolyl pendants.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16611","16628","10.1039/d5dt02216a","","","0.71073","MoKα","","0.0235","0.0232","","","0.0579","0.058","","","","","","1.059","","","","has coordinates,has disorder","303716","2025-11-29","20:00:40",""
"7719747","11.0056","0.0004","12.7466","0.0006","16.163","0.0007","90","","98.179","0.001","90","","2244.35","0.17","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Cl2 Fe2 N2 P2 Pd S2 -","- C52 H44 Cl2 Fe2 N2 P2 Pd S2 -","- C104 H88 Cl4 Fe4 N4 P4 Pd2 S4 -","2","0.5","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination, and catalytic application of phosphinoferrocene ligands bearing flexible thienyl and thiazolyl pendants.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16611","16628","10.1039/d5dt02216a","","","0.71073","MoKα","","0.0377","0.0337","","","0.0857","0.0884","","","","","","1.041","","","","has coordinates,has disorder","303716","2025-11-29","20:00:40",""
"7719748","10.9741","0.0004","12.8369","0.0004","16.3789","0.0008","90","","98.7949","0.001","90","","2280.22","0.16","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 Cl2 Fe2 P2 Pd S2 -","- C54 H46 Cl2 Fe2 P2 Pd S2 -","- C108 H92 Cl4 Fe4 P4 Pd2 S4 -","2","0.5","","Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination, and catalytic application of phosphinoferrocene ligands bearing flexible thienyl and thiazolyl pendants.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16611","16628","10.1039/d5dt02216a","","","0.71073","MoKα","","0.0184","0.0183","","","0.0458","0.0459","","","","","","1.101","","","","has coordinates,has disorder","303716","2025-11-29","20:00:40",""
"7719749","17.5572","0.0009","12.484","0.0006","26.1947","0.0013","90","","90","","90","","5741.5","0.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H28 F6 N4 Ni O8 S2 -","- C22 H28 F6 N4 Ni O8 S2 -","- C176 H224 F48 N32 Ni8 O64 S16 -","8","1","","Dow, Thomas D.; Kuno-Williams, Derek R; Woods, Toby J.; Zhang, Yu","Organometallic nickel NCN pincer complex promotes L-lactate racemization in water.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16857","16863","10.1039/d5dt01550b","","","0.71073","MoKα","","0.0531","0.038","","","0.0919","0.1004","","","","","","1.031","","","","has coordinates,has disorder","303823","2025-11-29","21:10:30",""
"7719750","9.1111","0.0004","8.0196","0.0003","6.3543","0.0003","90","","102.84","0.001","90","","452.68","0.03","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C8 H11 O4 P -","- C8 H11 O4 P -","- C16 H22 O8 P2 -","2","1","","Dong, Jiaxin; Tsebrikova, Galina S.; Rogacheva, Yuliana I.; Solov'ev, Vitaly P.; Nikolaeva, Natalya S.; Lapshina, Mariya A.; Ivanova, Irina S.; Ilyukhin, Andrey B.; Slobodskaia, Serafima S.; Baulin, Vladimir E.; Li, Baoqiang; Tsivadze, Aslan Yu","2-Hydroxy-5-ethylphenylphosphonic acid and its application in carbon dot modification: synthesis, protonation, spectral properties and specific recognition of copper(II) ions.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17267","17278","10.1039/d5dt02093j","","","1.54178","CuKα","","0.0627","0.0626","","","0.1619","0.1621","","","","","","1.159","","","","has coordinates","303789","2025-11-29","20:52:19",""
"7719751","15.9203","0.0004","30.1729","0.0011","9.7094","0.0003","90","","90","","90","","4664","0.3","298","2","298","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C16 H37 Cu N2 O37.12 P4 V5 -","- C16 H41 Cu N2 O37.118 P4 V5 -","- C64 H164 Cu4 N8 O148.472 P16 V20 -","4","0.5","","Morla, Kalyankumar S.; Sahu, Rajulal; Ahamed, Subuhan; Ghosh, Saurav; Mondal, Kartik Chandra; Sankapal, Babasaheb R.; Banerjee, Abhishek","Ligand-directed assembly and transformation of hybrid oxo-vanadates into 3d-3d oxo-vanado-cuprates: structural diversification and superior electrochemical performance in a prototype liquid-configured-device-grade supercapacitor.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17322","17335","10.1039/d5dt01786f","","","1.34143","GaKα","","0.1368","0.0641","","","0.1635","0.1901","","","","","","0.965","","","","has coordinates,has disorder","303786","2025-11-29","20:50:12",""
"7719752","36.86","0.0007","11.4595","0.0001","19.6314","0.0004","90","","112.704","0.001","90","","7649.7","0.2","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H120.34 Cu4 N8 O115 P16 V12 -","- C56 H120.36 Cu4 N8 O115 P16 V12 -","- C112 H240.72 Cu8 N16 O230 P32 V24 -","2","0.25","","Morla, Kalyankumar S.; Sahu, Rajulal; Ahamed, Subuhan; Ghosh, Saurav; Mondal, Kartik Chandra; Sankapal, Babasaheb R.; Banerjee, Abhishek","Ligand-directed assembly and transformation of hybrid oxo-vanadates into 3d-3d oxo-vanado-cuprates: structural diversification and superior electrochemical performance in a prototype liquid-configured-device-grade supercapacitor.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17322","17335","10.1039/d5dt01786f","","","1.34143","GaKα","","0.0655","0.061","","","0.1751","0.1806","","","","","","1.028","","","","has coordinates,has disorder","303786","2025-11-29","20:50:14",""
"7719753","17.7586","0.0003","13.4107","0.0004","30.466","0.0006","90","","90","","90","","7255.6","0.3","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- I16 O4 Ta6 -","- I16 O4 Ta6 -","- I128 O32 Ta48 -","8","1","","Grahlow, Fabian; Beitlberger, Jan; Martin, Mario; Juriatti, Eric; Peisert, Heiko; Scheele, Marcus; Ströbele, Markus; Romao, Carl P.; Meyer, Hans-Jürgen","Structural modifications of <i>M</i><sub>5</sub>O<sub>4</sub>I<sub>11</sub> (<i>M</i> = Nb, Ta) cluster networks from heterogeneous solid-state reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16593","16604","10.1039/d5dt02097b","","x-ray","0.71073","MoKα","","0.0305","0.0226","","","0.0443","0.0464","","","","","","1.015","","","","has coordinates,has disorder","303714","2025-11-29","19:58:34",""
"7719754","7.437","0.0002","11.1829","0.0002","15.0653","0.0003","82.962","0.001","81.225","0.002","87.797","0.002","1228.69","0.05","249.99","0.1","249.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- I12 Li O2 Ta3 -","- I12 Li1.003 O2 Ta3 -","- I24 Li2.006 O4 Ta6 -","2","1","","Grahlow, Fabian; Beitlberger, Jan; Martin, Mario; Juriatti, Eric; Peisert, Heiko; Scheele, Marcus; Ströbele, Markus; Romao, Carl P.; Meyer, Hans-Jürgen","Structural modifications of <i>M</i><sub>5</sub>O<sub>4</sub>I<sub>11</sub> (<i>M</i> = Nb, Ta) cluster networks from heterogeneous solid-state reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16593","16604","10.1039/d5dt02097b","","x-ray","0.71073","MoKα","","0.0137","0.0133","","","0.029","0.0292","","","","","","1.305","","","","has coordinates","303714","2025-11-29","19:58:36",""
"7719755","9.8198","0.0001","17.8539","0.0001","15.3672","0.0001","90","","90","","90","","2694.2","0.04","199.99","0.1","199.99","0.1","","","","","","","","3","P m c 21","P 2c -2","26","","","","- I11 O4 Ta5 -","- I11 O4 Ta5 -","- I44 O16 Ta20 -","4","1","","Grahlow, Fabian; Beitlberger, Jan; Martin, Mario; Juriatti, Eric; Peisert, Heiko; Scheele, Marcus; Ströbele, Markus; Romao, Carl P.; Meyer, Hans-Jürgen","Structural modifications of <i>M</i><sub>5</sub>O<sub>4</sub>I<sub>11</sub> (<i>M</i> = Nb, Ta) cluster networks from heterogeneous solid-state reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16593","16604","10.1039/d5dt02097b","","x-ray","0.71073","MoKα","","0.0218","0.0215","","","0.056","0.0561","","","","","","1.102","","","","has coordinates","303714","2025-11-29","19:58:36",""
"7719756","9.5615","0.0005","7.3646","0.0003","7.6241","0.0004","90","","108.604","0.005","90","","508.81","0.05","150","0.11","150","0.11","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- I4 O3 Ta2 -","- I4 O3 Ta2 -","- I8 O6 Ta4 -","2","0.5","","Grahlow, Fabian; Beitlberger, Jan; Martin, Mario; Juriatti, Eric; Peisert, Heiko; Scheele, Marcus; Ströbele, Markus; Romao, Carl P.; Meyer, Hans-Jürgen","Structural modifications of <i>M</i><sub>5</sub>O<sub>4</sub>I<sub>11</sub> (<i>M</i> = Nb, Ta) cluster networks from heterogeneous solid-state reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16593","16604","10.1039/d5dt02097b","","x-ray","1.54184","CuKα","","0.0499","0.0482","","","0.1246","0.1263","","","","","","1.064","","","","has coordinates","303714","2025-11-29","19:58:36",""
"7719757","9.7963","0.0002","17.8082","0.0003","15.2052","0.0002","90","","90","","90","","2652.62","0.08","150.01","0.17","150.01","0.17","","","","","","","","3","P m c 21","P 2c -2","26","","","","- I11 Nb5 O4 -","- I11 Nb5 O4 -","- I44 Nb20 O16 -","4","1","","Grahlow, Fabian; Beitlberger, Jan; Martin, Mario; Juriatti, Eric; Peisert, Heiko; Scheele, Marcus; Ströbele, Markus; Romao, Carl P.; Meyer, Hans-Jürgen","Structural modifications of <i>M</i><sub>5</sub>O<sub>4</sub>I<sub>11</sub> (<i>M</i> = Nb, Ta) cluster networks from heterogeneous solid-state reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16593","16604","10.1039/d5dt02097b","","x-ray","1.54184","CuKα","","0.0515","0.0485","","","0.1254","0.127","","","","","","1.025","","","","has coordinates","303714","2025-11-29","19:58:36",""
"7719758","8.9594","0.0001","13.6077","0.0001","11.6208","0.0002","90","","107.5","0.002","90","","1351.2","0.03","150","0.18","150","0.18","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- I11 O4 Ta5 -","- I11 O4 Ta5 -","- I22 O8 Ta10 -","2","0.5","","Grahlow, Fabian; Beitlberger, Jan; Martin, Mario; Juriatti, Eric; Peisert, Heiko; Scheele, Marcus; Ströbele, Markus; Romao, Carl P.; Meyer, Hans-Jürgen","Structural modifications of <i>M</i><sub>5</sub>O<sub>4</sub>I<sub>11</sub> (<i>M</i> = Nb, Ta) cluster networks from heterogeneous solid-state reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16593","16604","10.1039/d5dt02097b","","x-ray","0.71073","MoKα","","0.0154","0.0154","","","0.0342","0.0343","","","","","","1.479","","","","has coordinates","303714","2025-11-29","19:58:36",""
"7719759","13.9637","0.0004","8.9883","0.0002","10.1085","0.0003","90","","103.031","0.003","90","","1236.05","0.06","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1","","- C12 H9 F3 N2 S -","- C12 H9 F3 N2 S -","- C48 H36 F12 N8 S4 -","4","1","","Tang, Haiming; Chen, Chen; Fu, Yuhang; Sun, Tong; Yin, Li; He, Mingyuan; Fu, Qin; Li, Qin; Liu, Yu; Chen, Ziyun; Jamieson, Stephen M. F.; Söhnel, Tilo; Hartinger, Christian G.","Platinum(II) complexes of fluorinated pyrrole carbothioamides: enhanced anticancer activity and overcoming cisplatin resistance.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17112","17120","10.1039/d5dt02290h","","","1.54184","CuKα","","0.0478","0.0438","","","0.1237","0.1279","","","","","","1.094","","","","has coordinates,has disorder","303795","2025-11-29","20:53:57",""
"7719760","12.88119","0.00013","17.95145","0.00019","18.21358","0.00018","74.3804","0.0009","76.3626","0.0008","75.5113","0.0009","3862.52","0.07","99.98","0.13","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C47 H37 F N2 P2 Pt S -","- C47 H37 F N2 P2 Pt S -","- C188 H148 F4 N8 P8 Pt4 S4 -","4","2","","Tang, Haiming; Chen, Chen; Fu, Yuhang; Sun, Tong; Yin, Li; He, Mingyuan; Fu, Qin; Li, Qin; Liu, Yu; Chen, Ziyun; Jamieson, Stephen M. F.; Söhnel, Tilo; Hartinger, Christian G.","Platinum(II) complexes of fluorinated pyrrole carbothioamides: enhanced anticancer activity and overcoming cisplatin resistance.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17112","17120","10.1039/d5dt02290h","","","1.54184","CuKα","","0.0195","0.0185","","","0.0444","0.0448","","","","","","1.056","","","","has coordinates","303795","2025-11-29","20:53:58",""
"7719761","7.0247","0.0006","9.6939","0.0009","9.8237","0.0009","63.765","0.002","74.177","0.002","72.016","0.003","563.42","0.09","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 Co0.5 O9 Pb -","- C9 H9 Co0.5 O9 Pb -","- C18 H18 Co O18 Pb2 -","2","1","","Zhang, Juan; Jin, Bo; Peng, Rufang","Encapsulation of transition metals in lead-based MOF pores to facilitate efficient thermal decomposition of ammonium perchlorate.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16582","16592","10.1039/d5dt02030a","","","0.71073","MoKα","","0.0363","0.036","","","0.0963","0.0967","","","","","","1.063","","","","has coordinates","303722","2025-11-29","20:04:06",""
"7719762","7.0432","0.0003","9.7809","0.0003","9.9389","0.0004","63.195","0.001","73.852","0.001","71.708","0.001","572.64","0.04","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 Mn0.5 O9 Pb -","- C9 H9 Mn0.5 O9 Pb -","- C18 H18 Mn O18 Pb2 -","2","1","","Zhang, Juan; Jin, Bo; Peng, Rufang","Encapsulation of transition metals in lead-based MOF pores to facilitate efficient thermal decomposition of ammonium perchlorate.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16582","16592","10.1039/d5dt02030a","","","0.71073","MoKα","","0.0432","0.0429","","","0.1119","0.1123","","","","","","1.084","","","","has coordinates","303722","2025-11-29","20:04:07",""
"7719763","7.0464","0.0003","9.6645","0.0005","9.7575","0.0005","64.067","0.002","74.123","0.002","72.151","0.001","561.21","0.05","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 Ni0.5 O9 Pb -","- C9 H9 Ni0.5 O9 Pb -","- C18 H18 Ni O18 Pb2 -","2","1","","Zhang, Juan; Jin, Bo; Peng, Rufang","Encapsulation of transition metals in lead-based MOF pores to facilitate efficient thermal decomposition of ammonium perchlorate.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16582","16592","10.1039/d5dt02030a","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","303722","2025-11-29","20:04:07",""
"7719764","7.0733","0.0003","9.7511","0.0004","9.8051","0.0004","63.654","0.001","73.851","0.002","71.739","0.001","567.78","0.04","244.47","","244.47","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 O9 Pb Zn0.5 -","- C9 H9 O9 Pb Zn0.5 -","- C18 H18 O18 Pb2 Zn -","2","1","","Zhang, Juan; Jin, Bo; Peng, Rufang","Encapsulation of transition metals in lead-based MOF pores to facilitate efficient thermal decomposition of ammonium perchlorate.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16582","16592","10.1039/d5dt02030a","","","0.71073","MoKα","","0.0343","0.0322","","","0.0816","0.0827","","","","","","1.033","","","","has coordinates","303722","2025-11-29","20:04:07",""
"7719765","9.3164","0.0004","10.2674","0.0004","12.7964","0.0005","67.613","0.001","85.364","0.001","71.768","0.001","1073.95","0.08","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H6 O12 Pb2 -","- C18 H6 O12 Pb2 -","- C36 H12 O24 Pb4 -","2","1","","Zhang, Juan; Jin, Bo; Peng, Rufang","Encapsulation of transition metals in lead-based MOF pores to facilitate efficient thermal decomposition of ammonium perchlorate.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16582","16592","10.1039/d5dt02030a","","","0.71073","MoKα","","0.0327","0.0297","","","0.076","0.0779","","","","","","1.017","","","","has coordinates","303722","2025-11-29","20:04:07",""
"7719766","16.1195","0.0009","5.0089","0.0003","10.7158","0.0006","90","","94.078","0.006","90","","863.01","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Mn3 Na2 O10 Si3 -","- Mn3 Na2 O10 Si3 -","- Mn12 Na8 O40 Si12 -","4","0.5","","Yakubovich, Olga; Kiriukhina, Galina; Volkov, Anatoly; Dimitrova, Olga; Shvanskaya, Larisa; Vasiliev, Alexander","Crystal structure and physical properties of Na<sub>2</sub>Mn<sub>3</sub>(Si<sub>3</sub>O<sub>10</sub>) - a new representative of the series of trisilicates A<sub>2</sub>M<sub>3</sub>(Si<sub>3</sub>O<sub>10</sub>).","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17231","17238","10.1039/d5dt01838b","","","0.71073","MoKα","","0.0401","0.0318","","","0.0564","0.0584","","","","","","1.199","","","","has coordinates","303793","2025-11-29","20:53:29",""
"7719767","9.4454","0.0009","3.6768","0.0002","6.4863","0.0005","90","","111.483","0.008","90","","209.61","0.03","300","","300","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cu Mo O6 V -","- Cu Mo O6 V -","- Cu2 Mo2 O12 V2 -","2","0.25","","Mongkhonratanachai, Machima; Jana, Subhendu; Maggard, Paul A.","Interplay of dual-site metal disorder on the thermodynamic stability and electronic structures of Cu(I)-containing molybdovanadate and tungstovanadate compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17102","17111","10.1039/d5dt02255j","","","0.71073","MoKα","","0.0303","0.0272","","","0.0538","0.0562","","","","","","1.053","","","","has coordinates","303783","2025-11-29","20:49:28",""
"7719768","15.289","0.0008","3.638","0.0002","7.3307","0.0003","90","","104.709","0.005","90","","394.38","0.04","300","","300","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cu1.58 O11 V3.53 W0.48 -","- Cu1.586 O11 V3.524 W0.476 -","- Cu3.172 O22 V7.048 W0.952 -","2","0.25","","Mongkhonratanachai, Machima; Jana, Subhendu; Maggard, Paul A.","Interplay of dual-site metal disorder on the thermodynamic stability and electronic structures of Cu(I)-containing molybdovanadate and tungstovanadate compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17102","17111","10.1039/d5dt02255j","","","0.71073","MoKα","","0.0475","0.0426","","","0.1026","0.1066","","","","","","1.121","","","","has coordinates","303783","2025-11-29","20:49:29",""
"7719769","15.3222","0.0009","3.6326","0.0002","7.3249","0.0004","90","","104.843","0.005","90","","394.1","0.04","300","","300","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cu1.5 Mo0.44 O11 V3.57 -","- Cu1.506 Mo0.434 O11 V3.566 -","- Cu3.012 Mo0.868 O22 V7.132 -","2","0.25","","Mongkhonratanachai, Machima; Jana, Subhendu; Maggard, Paul A.","Interplay of dual-site metal disorder on the thermodynamic stability and electronic structures of Cu(I)-containing molybdovanadate and tungstovanadate compounds.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17102","17111","10.1039/d5dt02255j","","","0.71073","MoKα","","0.0438","0.0423","","","0.1129","0.114","","","","","","1.121","","","","has coordinates","303783","2025-11-29","20:49:29",""
"7719770","18.116","0.001","13.1312","0.0008","16.5005","0.0011","90","","98.267","0.002","90","","3884.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C160 H142 F24 N28 O13 P8 Ru4 -","- C160 H142 F24 N28 O13 P8 Ru4 -","- C160 H142 F24 N28 O13 P8 Ru4 -","1","0.25","","Teixeira, Ricardo G.; Stenico, Lívia; Fontrodona, Xavier; Romero, Isabel; Starosta, Radosław; Moreno, Maria João; Tomaz, Ana Isabel; Gomes-da-Silva, Ligia C.; Valente, Andreia","Lysosome-targeted Ru(II)-cyclopentadienyl organometallic anticancer complexes","Dalton Transactions","2025","","","","","10.1039/D5DT01975C","","","0.71076","MoKα","","0.0793","0.0481","","","0.0801","0.091","","","","","","1.077","","","","has coordinates","303099","2025-10-30","00:03:45",""
"7719771","11.8493","0.0015","19.432","0.003","20.703","0.003","78.293","0.004","77.765","0.005","84.304","0.005","4553.9","1.1","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C93.5 H105 F12 N14 O10.5 P4 Ru2 -","- C83 H84 F12 N14 O7 P4 Ru2 -","- C166 H168 F24 N28 O14 P8 Ru4 -","2","1","","Teixeira, Ricardo G.; Stenico, Lívia; Fontrodona, Xavier; Romero, Isabel; Starosta, Radosław; Moreno, Maria João; Tomaz, Ana Isabel; Gomes-da-Silva, Ligia C.; Valente, Andreia","Lysosome-targeted Ru(II)-cyclopentadienyl organometallic anticancer complexes","Dalton Transactions","2025","","","","","10.1039/D5DT01975C","","","0.71073","MoKα","","0.1359","0.1017","","","0.2391","0.2616","","","","","","1.054","","","","has coordinates","303099","2025-10-30","00:03:46",""
"7719772","11.8831","0.0007","19.9377","0.0011","20.9074","0.0012","70.752","0.002","85.908","0.002","88.956","0.002","4664.5","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H43 Cl4 F6 N7 O5 P2 Ru -","- C42 H43 Cl4 F6 N7 O5 P2 Ru -","- C168 H172 Cl16 F24 N28 O20 P8 Ru4 -","4","2","","Teixeira, Ricardo G.; Stenico, Lívia; Fontrodona, Xavier; Romero, Isabel; Starosta, Radosław; Moreno, Maria João; Tomaz, Ana Isabel; Gomes-da-Silva, Ligia C.; Valente, Andreia","Lysosome-targeted Ru(II)-cyclopentadienyl organometallic anticancer complexes","Dalton Transactions","2025","","","","","10.1039/D5DT01975C","","","0.71073","MoKα","","0.1013","0.0715","","","0.1599","0.1781","","","","","","1.136","","","","has coordinates,has disorder","303099","2025-10-30","00:03:46",""
"7719773","9.3919","0.0006","14.2984","0.0009","17.6937","0.0011","80.538","0.002","80.003","0.002","76.315","0.002","2254.6","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H38 N2 P2 -","- C52 H38 N2 P2 -","- C104 H76 N4 P4 -","2","1","","Sidhu, Baldeep K.; Kacperkiewicz, Amelia; Braun, Jason D.; Herbert, David E.","A tetradentate benzannulated P^N^N^P ligand and its Fe(II) complex: synthesis, characterization, and electrocatalytic hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17211","17220","10.1039/d5dt02202a","","","0.71073","MoKα","","0.1055","0.0788","","","0.167","0.1803","","","","","","1.045","","","","has coordinates","303790","2025-11-29","20:52:33",""
"7719774","12.553","0.004","17.05","0.005","27.154","0.01","90","","90","","90","","5812","3","150","","150","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C62 H41 F6 Fe N6 O6 P2 S2 -","- C60 H47 F6 Fe N5 O6 P2 S2 -","- C240 H188 F24 Fe4 N20 O24 P8 S8 -","4","1","","Sidhu, Baldeep K.; Kacperkiewicz, Amelia; Braun, Jason D.; Herbert, David E.","A tetradentate benzannulated P^N^N^P ligand and its Fe(II) complex: synthesis, characterization, and electrocatalytic hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17211","17220","10.1039/d5dt02202a","","","0.71073","MoKα","","0.1044","0.082","","","0.211","0.2316","","","","","","1.091","","","","has coordinates,has disorder","303790","2025-11-29","20:52:34",""
"7719775","14.8156","0.0001","33.8381","0.0003","19.0978","0.0002","90","","108.338","0.001","90","","9088.12","0.15","110.01","0.1","110.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C93.53 H87.83 Au B Cl0.83 F24.38 N0.97 P -","- C93.52 H87.79 Au B Cl0.828 F24.382 N0.97 P -","- C374.08 H351.16 Au4 B4 Cl3.312 F97.528 N3.88 P4 -","4","1","","Johnson, Chloe L.; Altus, Kristof M.; Navarro, Miquel; Campos, Jesús; Duckett, Simon B.; Weller, Andrew S.","Single-crystal to single-crystal synthesis of a gold(I)-ammonia complex and H/D exchange <i>in crystallo</i> with D<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16673","16676","10.1039/d5dt02464a","","","1.54184","CuKα","","0.1093","0.095","","","0.1846","0.193","","","","","","1.052","","","","has coordinates,has disorder","303815","2025-11-29","21:04:55",""
"7719776","15.6853","0.001","16.4299","0.001","19.4505","0.0012","75.532","0.005","68.977","0.006","89.13","0.005","4515.1","0.5","110.15","","110.15","","","","","","","","","7","P -1","-P 1","2","","","","- C91.68 H90.1 Au B F24 N P -","- C91.673 H90.09 Au B F24 N P -","- C183.346 H180.18 Au2 B2 F48 N2 P2 -","2","1","","Johnson, Chloe L.; Altus, Kristof M.; Navarro, Miquel; Campos, Jesús; Duckett, Simon B.; Weller, Andrew S.","Single-crystal to single-crystal synthesis of a gold(I)-ammonia complex and H/D exchange <i>in crystallo</i> with D<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16673","16676","10.1039/d5dt02464a","","","1.54184","CuKα","","0.1784","0.1221","","","0.2866","0.3356","","","","","","1.064","","","","has coordinates,has disorder","303815","2025-11-29","21:04:56",""
"7719777","13.3229","0.0001","21.2795","0.0001","21.3755","0.0001","96.906","0.001","105.667","0.001","98.937","0.001","5679.65","0.07","100","0.11","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H82 Mg2 N6 -","- C64 H82 Mg2 N6 -","- C256 H328 Mg8 N24 -","4","2","","Das, Anubhab; Mukhopadhyay, Sayantan; Rajput, Sagrika; Nembenna, Sharanappa","Magnesium catalyzed hydroamination of carbodiimides and hydroboration of cyanamides.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17553","17563","10.1039/d5dt02335a","","","1.54184","CuKα","","0.0468","0.0436","","","0.1096","0.1118","","","","","","1.023","","","","has coordinates","304108","2025-12-07","05:04:09",""
"7719778","11.4339","0.0002","17.9921","0.0002","13.7145","0.0002","90","","100.161","0.001","90","","2777.09","0.07","99.98","0.14","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H80 Mg2 N4 O2 -","- C64 H80 Mg2 N4 O2 -","- C128 H160 Mg4 N8 O4 -","2","0.5","","Das, Anubhab; Mukhopadhyay, Sayantan; Rajput, Sagrika; Nembenna, Sharanappa","Magnesium catalyzed hydroamination of carbodiimides and hydroboration of cyanamides.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17553","17563","10.1039/d5dt02335a","","","1.54184","CuKα","","0.0597","0.055","","","0.1364","0.1432","","","","","","1.045","","","","has coordinates","304108","2025-12-07","05:04:13",""
"7719779","13.6329","0.0003","15.0775","0.0003","14.1556","0.0003","90","","102.311","0.002","90","","2842.78","0.11","100","0.1","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H88 Mg2 N8 -","- C60 H88 Mg2 N8 -","- C120 H176 Mg4 N16 -","2","0.5","","Das, Anubhab; Mukhopadhyay, Sayantan; Rajput, Sagrika; Nembenna, Sharanappa","Magnesium catalyzed hydroamination of carbodiimides and hydroboration of cyanamides.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17553","17563","10.1039/d5dt02335a","","","1.54184","CuKα","","0.0545","0.0522","","","0.1423","0.1448","","","","","","1.061","","","","has coordinates","304108","2025-12-07","05:04:13",""
"7719780","13.6752","0.0016","12.6834","0.0015","13.9947","0.0015","90","","103.896","0.004","90","","2356.3","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 Br2 N4 O4 Re -","- C24 H13 Br2 N4 O4 Re -","- C96 H52 Br8 N16 O16 Re4 -","4","1","","Borkar, Reema L.; Putta, Chandra Lekha; Platto, Merlin; Beniwal, Nitisha; Banoth, Bharati; Mehata, Abhishesh Kumar; Ramasamy, Shanmugam; Rengan, Aravind Kumar","Re(I)-quinolinate-pyridyl complexes with disubstituted benzimidazole pharmacophores as anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17531","17545","10.1039/d5dt01577d","","","0.71073","MoKα","","0.0357","0.0297","","","0.0675","0.07","","","","","","1.076","","","","has coordinates","304109","2025-12-07","05:05:58",""
"7719781","8.2524","0.0012","13.0329","0.0017","13.224","0.002","63.168","0.005","89.537","0.006","81.939","0.006","1254.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H34 F4 N8 O8 Re2 -","- C55 H34 F4 N8 O8 Re2 -","- C55 H34 F4 N8 O8 Re2 -","1","0.5","","Borkar, Reema L.; Putta, Chandra Lekha; Platto, Merlin; Beniwal, Nitisha; Banoth, Bharati; Mehata, Abhishesh Kumar; Ramasamy, Shanmugam; Rengan, Aravind Kumar","Re(I)-quinolinate-pyridyl complexes with disubstituted benzimidazole pharmacophores as anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17531","17545","10.1039/d5dt01577d","","","0.71073","MoKα","","0.0192","0.0187","","","0.0492","0.0494","","","","","","1.139","","","","has coordinates,has disorder","304109","2025-12-07","05:06:09",""
"7719782","9.561","0.003","9.643","0.002","14.547","0.004","87.588","0.009","89.061","0.01","84.671","0.009","1334.1","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H46 N8 O8 Re2 -","- C59 H46 N8 O8 Re2 -","- C59 H46 N8 O8 Re2 -","1","0.5","","Borkar, Reema L.; Putta, Chandra Lekha; Platto, Merlin; Beniwal, Nitisha; Banoth, Bharati; Mehata, Abhishesh Kumar; Ramasamy, Shanmugam; Rengan, Aravind Kumar","Re(I)-quinolinate-pyridyl complexes with disubstituted benzimidazole pharmacophores as anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17531","17545","10.1039/d5dt01577d","","","0.71073","MoKα","","0.0283","0.0276","","","0.0764","0.0769","","","","","","1.213","","","","has coordinates,has disorder","304109","2025-12-07","05:06:09",""
"7719783","9.4326","0.0008","9.7541","0.0007","14.6129","0.0012","86.912","0.003","88.962","0.003","86.779","0.003","1340.26","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H41 N8 O8 Re2 -","- C63 H41 N8 O8 Re2 -","- C63 H41 N8 O8 Re2 -","1","0.5","","Borkar, Reema L.; Putta, Chandra Lekha; Platto, Merlin; Beniwal, Nitisha; Banoth, Bharati; Mehata, Abhishesh Kumar; Ramasamy, Shanmugam; Rengan, Aravind Kumar","Re(I)-quinolinate-pyridyl complexes with disubstituted benzimidazole pharmacophores as anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17531","17545","10.1039/d5dt01577d","","","0.71073","MoKα","","0.0193","0.0188","","","0.0491","0.0494","","","","","","1.152","","","","has coordinates","304109","2025-12-07","05:06:09",""
"7719784","13.5446","0.0008","12.4925","0.0007","13.8159","0.0008","90","","102.226","0.002","90","","2284.7","0.2","194","2","194","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 Cl2 N4 O4 Re -","- C24 H12 Cl2 N4 O4 Re -","- C96 H48 Cl8 N16 O16 Re4 -","4","1","","Borkar, Reema L.; Putta, Chandra Lekha; Platto, Merlin; Beniwal, Nitisha; Banoth, Bharati; Mehata, Abhishesh Kumar; Ramasamy, Shanmugam; Rengan, Aravind Kumar","Re(I)-quinolinate-pyridyl complexes with disubstituted benzimidazole pharmacophores as anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17531","17545","10.1039/d5dt01577d","","","0.71073","MoKα","","0.0405","0.0363","","","0.0932","0.0958","","","","","","1.036","","","","has coordinates","304109","2025-12-07","05:06:09",""
"7719785","19.697","0.004","7.6027","0.0007","14.077","0.003","90","","113.611","0.003","90","","1931.6","0.6","113","2","113","","","","","","","","","6","C 1 c 1","C -2yc","9","Aquadichloridoruthenium","tetraethylammonium aquadichlorido(2,6-pyridinedicarboxylato)ruthenate","","- C15 H25 Cl2 N2 O5 Ru -","- C15 H25 Cl2 N2 O5 Ru -","- C60 H100 Cl8 N8 O20 Ru4 -","4","1","","Uehara, Kazunari; Kim, Nayoung; Benzaki, Aya; Otsuka, Midori; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka","Dinitrogen-bridged diruthenium complexes bearing 2,6-pyridinedicarboxylate in the mixed-valence state.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16328","16332","10.1039/d5dt02337h","","","0.71075","MoKα","","0.0153","0.0151","","","0.0364","0.0366","","","","","","1.06","","","","has coordinates","303718","2025-11-29","20:02:09",""
"7719786","9.5692","0.0003","14.4596","0.0004","11.897","0.0004","90","","109.046","0.001","90","","1556.03","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Triacetonitrileruthenium","triacetonitrile(2,6-pyridinedicarboxylato)ruthenium","","- C13 H14 N4 O5 Ru -","- C13 H14 N4 O5 Ru -","- C52 H56 N16 O20 Ru4 -","4","1","","Uehara, Kazunari; Kim, Nayoung; Benzaki, Aya; Otsuka, Midori; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka","Dinitrogen-bridged diruthenium complexes bearing 2,6-pyridinedicarboxylate in the mixed-valence state.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16328","16332","10.1039/d5dt02337h","","","0.71075","MoKα","","0.0283","0.0248","","","0.0675","0.0714","","","","","","1.063","","","","has coordinates","303718","2025-11-29","20:02:10",""
"7719787","10.3571","0.0002","11.2191","0.0002","12.4382","0.0003","69.891","0.002","70.037","0.002","81.608","0.002","1274.96","0.05","150","2","150","","","","","","","","","5","P -1","-P 1","2","Dinitrogen-bridged diruthenium","pentaamminehydroxidodinitrogenbis(2,6-pyridinedicarboxylato)diruthenium","","- C15 H28 N9 O11 Ru2 -","- C14 H24 N9 O10 Ru2 -","- C28 H48 N18 O20 Ru4 -","2","1","","Uehara, Kazunari; Kim, Nayoung; Benzaki, Aya; Otsuka, Midori; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka","Dinitrogen-bridged diruthenium complexes bearing 2,6-pyridinedicarboxylate in the mixed-valence state.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16328","16332","10.1039/d5dt02337h","","x-ray","1.54184","CuKα","","0.0362","0.0321","","","0.0834","0.0856","","","","","","1.072","","","","has coordinates","303718","2025-11-29","20:02:10",""
"7719788","5.0959","0.0003","12.6892","0.0007","6.8854","0.0004","90","","101.989","0.003","90","","435.52","0.04","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al Ba F2 O4 P -","- Al Ba F2 O4 P -","- Al4 Ba4 F8 O16 P4 -","4","1","","Zhang, Yanhui; Li, Jiajia; Ding, Yaqing; Liu, Kaitong; Gu, Xiaofeng","BaAlPO<sub>4</sub>F<sub>2</sub>: structure and properties of the first barium fluoroaluminophosphate with the mixed anion group [Al<sub>2</sub>PO<sub>8</sub>F<sub>5</sub>].","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17591","17596","10.1039/d5dt02249e","","","0.71073","MoKα","","0.0368","0.0293","","","0.0614","0.069","","","","","","1.083","","","","has coordinates","304111","2025-12-07","05:16:29",""
"7719789","6.0372","0.0003","25.564","0.002","8.6039","0.0008","90","","94.902","0.006","90","","1323.03","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","formamidinium lead Bromide thiocyanate","","","- C8 Br15.2 N16 Pb4 S0.8 -","- C8 Br15.62 N16 Pb4 S0.38 -","- C8 Br15.62 N16 Pb4 S0.38 -","1","0.25","","Matsushima, Koki; Ohmi, Takuya; Taniguchi, Wataru; Nagano, Shoya; Fukui, Tomoya; Fukushima, Takanori; Awais, Muhammad; Saidaminov, Makhsud; Azuma, Masaki; Yamamoto, Takafumi","Tunable optical properties in the (110)<sub>p</sub>-oriented layered halide perovskite FA<sub>4</sub>Pb<sub>2</sub>I<sub>7.5</sub>(SCN)<sub>0.5</sub> by Br substitution.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16876","16881","10.1039/d5dt02441b","","x-ray","0.71073","MoKα","","0.0577","0.0415","","","0.1031","0.1102","","","","","","1.053","","","","has coordinates,has disorder","303824","2025-11-29","21:10:40",""
"7719790","21.3377","0.0011","13.404","0.0006","18.9593","0.0013","90","","107.275","0.006","90","","5178","0.5","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C96 H124 F Mn4 N O24 S8 -","- C96 H124 F Mn4 N0.25 O24 S8 -","- C192 H248 F2 Mn8 N0.5 O48 S16 -","2","0.25","","Lecourt, Constance; Ledoux, Gilles; Suffren, Yan; Jeanneau, Erwann; Luneau, Dominique; Desroches, Cedric","Multiphoton excitation and energy transfer pathways in Mn<sup>2+</sup>-sulfonyl calixarene complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17151","17161","10.1039/d5dt02234g","","x-ray","0.71073","MoKα","","0.089","0.0632","","","0.1796","0.2013","","","","","","1.031","","","","has coordinates,has disorder","303798","2025-11-29","20:55:38",""
"7719791","12.449","0.002","14.778","0.002","18.3713","0.0015","92.025","0.009","93.088","0.01","101.882","0.015","3298.8","0.8","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C144 H128 F Mn4 N2 O24 S8 -","- C144 H128 F Mn4 N2 O24 S8 -","- C144 H128 F Mn4 N2 O24 S8 -","1","0.5","","Lecourt, Constance; Ledoux, Gilles; Suffren, Yan; Jeanneau, Erwann; Luneau, Dominique; Desroches, Cedric","Multiphoton excitation and energy transfer pathways in Mn<sup>2+</sup>-sulfonyl calixarene complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17151","17161","10.1039/d5dt02234g","","x-ray","0.71073","MoKα","","0.1022","0.0864","","","0.2387","0.2581","","","","","","1.039","","","","has coordinates","303798","2025-11-29","20:55:41",""
"7719792","11.5988","0.0003","12.2057","0.0004","14.545","0.0005","66.945","0.003","88.638","0.002","85.133","0.002","1887.76","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H64 Mn2 N6 O16 S4 -","- C72 H62 Mn2 N6 O16 S4 -","- C72 H62 Mn2 N6 O16 S4 -","1","0.5","","Lecourt, Constance; Ledoux, Gilles; Suffren, Yan; Jeanneau, Erwann; Luneau, Dominique; Desroches, Cedric","Multiphoton excitation and energy transfer pathways in Mn<sup>2+</sup>-sulfonyl calixarene complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17151","17161","10.1039/d5dt02234g","","x-ray","0.71073","MoKα","","0.052","0.0391","","","0.093","0.101","","","","","","1.027","","","","has coordinates","303798","2025-11-29","20:55:41",""
"7719793","36.229","0.004","32.37","0.003","19.0896","0.0018","90","","90","","90","","22387","4","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Ag6 K6 Na13 Nb38 O185 Te18 -","- Ag6 K6 Na13 Nb38 O185 Te18 -","- Ag24 K24 Na52 Nb152 O740 Te72 -","4","0.5","","Hong, Li-Hao; Qian, De-Qing; Lin, Yan-Jia; Yue, Sheng-Nan; Huang, Xing; Li, Hao-Hong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of a boron-doping strategy to activate luminescence in a non-emissive silver-incorporated polyoxoniobate.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17259","17266","10.1039/d5dt02299a","","","0.71073","MoKα","","0.0586","0.0506","","","0.1357","0.1407","","","","","","1.03","","","","has coordinates,has disorder","303794","2025-11-29","20:53:44",""
"7719794","7.6598","0.0004","14.5235","0.0008","42.409","0.0018","90","","90","","90","","4717.9","0.4","100.02","0.1","100.02","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H22 Na8 O36 -","- C36 H22 Na8 O36 -","- C144 H88 Na32 O144 -","4","1","","Leszczyński, Michał Krzysztof; Justyniak, Iwona; Lewinski, Janusz","Mechanochemistry Unlocking Stoichiometric Control in Alkali Metal Carboxylate Coordination Polymers","Dalton Transactions","2025","","","","","10.1039/D5DT01954K","","x-ray","1.54184","CuKα","","0.0642","0.056","","","0.1581","0.1683","","","","","","1.066","","","","has coordinates","303177","2025-11-05","01:05:12",""
"7719795","3.7111","0.0001","18.3859","0.0004","16.339","0.0003","90","","91.165","0.002","90","","1114.61","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 K2 O7 -","- C9 H5 K2 O7 -","- C36 H20 K8 O28 -","4","1","","Leszczyński, Michał Krzysztof; Justyniak, Iwona; Lewinski, Janusz","Mechanochemistry Unlocking Stoichiometric Control in Alkali Metal Carboxylate Coordination Polymers","Dalton Transactions","2025","","","","","10.1039/D5DT01954K","","x-ray","1.54184","CuKα","","0.0534","0.0504","","","0.1362","0.1388","","","","","","1.081","","","","has coordinates","303177","2025-11-05","01:05:22",""
"7719796","3.9898","0.0002","10.1336","0.0006","16.8294","0.0009","86.986","0.005","83.558","0.004","79.522","0.004","664.5","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C9 H9 O9 Rb2 -","- C9 H9 O9 Rb2 -","- C18 H18 O18 Rb4 -","2","1","","Leszczyński, Michał Krzysztof; Justyniak, Iwona; Lewinski, Janusz","Mechanochemistry Unlocking Stoichiometric Control in Alkali Metal Carboxylate Coordination Polymers","Dalton Transactions","2025","","","","","10.1039/D5DT01954K","","x-ray","1.54184","CuKα","","0.0317","0.0285","","","0.0742","0.0771","","","","","","1.053","","","","has coordinates","303177","2025-11-05","01:05:26",""
"7719797","4.046","0.0001","20.0693","0.0003","10.4837","0.0002","90","","98.107","0.002","90","","842.77","0.03","100","0.3","100","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16.03 O21 Rb6 -","- C18 H16.04 O21 Rb6 -","- C18 H16.04 O21 Rb6 -","1","0.5","","Leszczyński, Michał Krzysztof; Justyniak, Iwona; Lewinski, Janusz","Mechanochemistry Unlocking Stoichiometric Control in Alkali Metal Carboxylate Coordination Polymers","Dalton Transactions","2025","","","","","10.1039/D5DT01954K","","x-ray","1.54184","CuKα","","0.041","0.0407","","","0.1117","0.1121","","","","","","1.078","","","","has coordinates,has disorder","303177","2025-11-05","01:05:30",""
"7719798","6.8159","0.0007","19.31","0.002","17.618","0.002","90","","90.423","0.004","90","","2318.7","0.4","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 P -","- C30 H37 P -","- C120 H148 P4 -","4","1","","Sivarajan, Chinraj; Mitra, Raja","[Di(1-adamantyl)](aryl)phosphine ligands: synthesis, palladium complexation, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17073","17077","10.1039/d5dt02523k","","x-ray","0.71073","MoKα","","0.0669","0.0463","","","0.0997","0.11","","","","","","1.022","","","","has coordinates","303797","2025-11-29","20:55:06",""
"7719799","10.0424","0.0004","10.6411","0.0004","18.8506","0.0006","99.608","0.001","98.953","0.001","111.808","0.001","1791.15","0.12","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H42 Cl8 N P Pd -","- C32 H42 Cl8 N P Pd -","- C64 H84 Cl16 N2 P2 Pd2 -","2","1","","Sivarajan, Chinraj; Mitra, Raja","[Di(1-adamantyl)](aryl)phosphine ligands: synthesis, palladium complexation, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17073","17077","10.1039/d5dt02523k","","","0.71073","MoKα","","0.0438","0.0364","","","0.0973","0.1065","","","","","","1.0404","","","","has coordinates","303797","2025-11-29","20:55:08",""
"7719800","6.7324","0.0004","19.1441","0.0015","17.393","0.001","90","","91.038","0.005","90","","2241.3","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","CS-SB-005","","- C29 H36 N P -","- C29 H36 N P -","- C116 H144 N4 P4 -","4","1","","Sivarajan, Chinraj; Mitra, Raja","[Di(1-adamantyl)](aryl)phosphine ligands: synthesis, palladium complexation, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17073","17077","10.1039/d5dt02523k","","x-ray","0.71073","MoKα","","0.1325","0.0755","","","0.1815","0.2259","","","","","","1.014","","","","has coordinates","303797","2025-11-29","20:55:09",""
"7719801","11.8612","0.0001","17.1522","0.0002","7.422","0.0001","90","","102.155","0.001","90","","1476.12","0.03","105.2","0.8","105.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N -","- C21 H17 N -","- C84 H68 N4 -","4","1","","Sivarajan, Chinraj; Mitra, Raja","[Di(1-adamantyl)](aryl)phosphine ligands: synthesis, palladium complexation, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17073","17077","10.1039/d5dt02523k","","x-ray","1.54184","CuKα","","0.0367","0.0351","","","0.0861","0.0874","","","","","","1.044","","","","has coordinates","303797","2025-11-29","20:55:10",""
"7719802","26.8895","0.0002","14.89266","0.00013","31.0943","0.0003","90","","94.1682","0.0008","90","","12419","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C207 H216 N6 O120 S12 -","- C198 H195 N6 O120 S12 -","- C396 H390 N12 O240 S24 -","2","1","","Koprowska, Karolina; Fischer-Durand, Nathalie; Michlewska, Sylwia; Gapińska, Magdalena; Grodzicka, Marika; Makal, Anna; Krzeszczakowska, Joanna; Wrona-Piotrowicz, Anna; Lignières, Laurent; Salmain, Michèle; Rudolf, Bogna","Metallocarbonyl bromomaleimide derivatives for thiol bioconjugation and disulfide bridging: spectroscopic and biological properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16864","16875","10.1039/d5dt02375k","","x-ray","1.54184","CuKα","","0.1165","0.0858","","","0.239","0.2759","","","","","","1.02","","","","has coordinates","303825","2025-11-29","21:11:03",""
"7719803","8.0312","0.0002","9.4299","0.0002","26.2039","0.0007","90","","90","","90","","1984.51","0.08","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N3 O8 S2 -","- C16 H21 N3 O8 S2 -","- C64 H84 N12 O32 S8 -","4","1","","Koprowska, Karolina; Fischer-Durand, Nathalie; Michlewska, Sylwia; Gapińska, Magdalena; Grodzicka, Marika; Makal, Anna; Krzeszczakowska, Joanna; Wrona-Piotrowicz, Anna; Lignières, Laurent; Salmain, Michèle; Rudolf, Bogna","Metallocarbonyl bromomaleimide derivatives for thiol bioconjugation and disulfide bridging: spectroscopic and biological properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","45","16864","16875","10.1039/d5dt02375k","","","1.54184","CuKα","","0.0446","0.037","","","0.087","0.0914","","","","","","1.002","","","","has coordinates","303825","2025-11-29","21:11:05",""
"7719804","10.53581","0.00013","10.58069","0.00013","13.8676","0.00019","72.4808","0.0012","79.26","0.0011","89.9677","0.001","1445.83","0.03","150.02","0.17","150.02","0.17","","","","","","","","6","P -1","-P 1","2","","","","- C12 H26 Cl4 N24 O2 Zn3 -","- C12 H26 Cl4 N24 O2 Zn3 -","- C24 H52 Cl8 N48 O4 Zn6 -","2","1","","Groß, Melena; Meyer, Hans-Juergen; Brand, Catharina D.; Schmidt, Patrick; Parker, Tim Maikel; Zhang, Dai; Romao, Carl P.","Synthesis and SHG Properties of the Melamine-Based Material (C 3 N 6 H 7 )ZnX 3 (C 3 N 6 H 6 ) (X = Cl, Br)","Dalton Transactions","2025","","","","","10.1039/D5DT02245B","","x-ray","1.54184","CuKα","","0.0175","0.0172","","","0.0422","0.0425","","","","","","1.0933","","","","has coordinates","303205","2025-11-06","00:26:27",""
"7719805","12.1055","0.0004","18.3525","0.0005","6.6402","0.0002","90","","90","","90","","1475.23","0.08","150","0.18","150","0.18","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H13 Cl3 N12 Zn -","- C6 H13 Cl3 N12 Zn -","- C24 H52 Cl12 N48 Zn4 -","4","1","","Groß, Melena; Meyer, Hans-Juergen; Brand, Catharina D.; Schmidt, Patrick; Parker, Tim Maikel; Zhang, Dai; Romao, Carl P.","Synthesis and SHG Properties of the Melamine-Based Material (C 3 N 6 H 7 )ZnX 3 (C 3 N 6 H 6 ) (X = Cl, Br)","Dalton Transactions","2025","","","","","10.1039/D5DT02245B","","x-ray","1.54184","CuKα","","0.0442","0.0367","","","0.0926","0.0967","","","","","","1.041","","","","has coordinates,has disorder","303205","2025-11-06","00:26:31",""
"7719806","12.1482","0.0002","18.8376","0.0003","6.8263","0.0001","90","","90","","90","","1562.15","0.04","150","0.11","150","0.11","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H13 Br3 N12 Zn -","- C6 H13 Br3 N12 Zn -","- C24 H52 Br12 N48 Zn4 -","4","1","","Groß, Melena; Meyer, Hans-Juergen; Brand, Catharina D.; Schmidt, Patrick; Parker, Tim Maikel; Zhang, Dai; Romao, Carl P.","Synthesis and SHG Properties of the Melamine-Based Material (C 3 N 6 H 7 )ZnX 3 (C 3 N 6 H 6 ) (X = Cl, Br)","Dalton Transactions","2025","","","","","10.1039/D5DT02245B","","x-ray","1.54184","CuKα","","0.0205","0.02","","","0.059","0.0594","","","","","","1.096","","","","has coordinates,has disorder","303205","2025-11-06","00:26:34",""
"7719807","9.3366","0.0002","6.6582","0.0002","12.1344","0.0003","90","","101.703","0.002","90","","738.65","0.03","150","0.11","150","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H13 Cl3 N12 Zn -","- C6 H13 Cl3 N12 Zn -","- C12 H26 Cl6 N24 Zn2 -","2","1","","Groß, Melena; Meyer, Hans-Juergen; Brand, Catharina D.; Schmidt, Patrick; Parker, Tim Maikel; Zhang, Dai; Romao, Carl P.","Synthesis and SHG Properties of the Melamine-Based Material (C 3 N 6 H 7 )ZnX 3 (C 3 N 6 H 6 ) (X = Cl, Br)","Dalton Transactions","2025","","","","","10.1039/D5DT02245B","","x-ray","1.54184","CuKα","","0.0274","0.0253","","","0.0584","0.0591","","","","","","1.0571","","","","has coordinates","303205","2025-11-06","00:26:35",""
"7719808","33.6774","0.0011","9.8498","0.0003","15.4982","0.0005","90","","98.304","0.003","90","","5087.1","0.3","229.99","0.13","229.99","0.13","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H27 Fe N21 S3 -","- C54 H27 Fe N21 S3 -","- C216 H108 Fe4 N84 S12 -","4","0.5","","Amanyazova, Botagoz; Shatruk, Michael; Yergeshbayeva, Sandugash; Choi, Eun Sang; Erkasov, Rakhmetulla","Spin-Crossover Semiconductors Based on Homoleptic Tris-Diimine Fe(II) Complexes with Fractionally Charged TCNQ•δ- Anions","Dalton Transactions","2025","","","","","10.1039/D5DT02365C","","x-ray","0.71073","MoKα","","0.1047","0.0812","","","0.2181","0.2311","","","","","","1.075","","","","has coordinates,has disorder","303206","2025-11-06","00:28:04",""
"7719809","33.1267","0.0008","9.9158","0.0002","15.899","0.0004","90","","99.703","0.002","90","","5147.8","0.2","229.99","0.1","229.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H24 Fe N18 S6 -","- C54 H24 Fe N18 S6 -","- C216 H96 Fe4 N72 S24 -","4","0.5","","Amanyazova, Botagoz; Shatruk, Michael; Yergeshbayeva, Sandugash; Choi, Eun Sang; Erkasov, Rakhmetulla","Spin-Crossover Semiconductors Based on Homoleptic Tris-Diimine Fe(II) Complexes with Fractionally Charged TCNQ•δ- Anions","Dalton Transactions","2025","","","","","10.1039/D5DT02365C","","x-ray","0.71073","MoKα","","0.0644","0.0492","","","0.1276","0.1373","","","","","","1.032","","","","has coordinates,has disorder","303206","2025-11-06","00:28:10",""
"7719810","33.4089","0.001","9.8946","0.0004","15.9778","0.0006","90","","99.86","0.003","90","","5203.7","0.3","298","0.4","298","0.4","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H24 Fe N18 S6 -","- C54 H24 Fe N18 S6 -","- C216 H96 Fe4 N72 S24 -","4","0.5","","Amanyazova, Botagoz; Shatruk, Michael; Yergeshbayeva, Sandugash; Choi, Eun Sang; Erkasov, Rakhmetulla","Spin-Crossover Semiconductors Based on Homoleptic Tris-Diimine Fe(II) Complexes with Fractionally Charged TCNQ•δ- Anions","Dalton Transactions","2025","","","","","10.1039/D5DT02365C","","x-ray","0.71073","MoKα","","0.0867","0.0583","","","0.1478","0.1658","","","","","","1.029","","","","has coordinates,has disorder","303206","2025-11-06","00:28:10",""
"7719811","33.083","0.0006","9.7943","0.0002","15.7944","0.0003","90","","99.523","0.002","90","","5047.25","0.17","100","0.3","100","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H24 Fe N18 S6 -","- C54 H24 Fe N18 S6 -","- C216 H96 Fe4 N72 S24 -","4","0.5","","Amanyazova, Botagoz; Shatruk, Michael; Yergeshbayeva, Sandugash; Choi, Eun Sang; Erkasov, Rakhmetulla","Spin-Crossover Semiconductors Based on Homoleptic Tris-Diimine Fe(II) Complexes with Fractionally Charged TCNQ•δ- Anions","Dalton Transactions","2025","","","","","10.1039/D5DT02365C","","","0.71073","MoKα","","0.0534","0.0434","","","0.1079","0.1144","","","","","","1.027","","","","has coordinates,has disorder","303206","2025-11-06","00:28:11",""
"7719812","33.5745","0.0008","9.7164","0.0002","15.4349","0.0003","90","","98.048","0.002","90","","4985.63","0.19","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H24 Fe N21 S3 -","- C54 H24 Fe N21 S3 -","- C216 H96 Fe4 N84 S12 -","4","0.5","","Amanyazova, Botagoz; Shatruk, Michael; Yergeshbayeva, Sandugash; Choi, Eun Sang; Erkasov, Rakhmetulla","Spin-Crossover Semiconductors Based on Homoleptic Tris-Diimine Fe(II) Complexes with Fractionally Charged TCNQ•δ- Anions","Dalton Transactions","2025","","","","","10.1039/D5DT02365C","","x-ray","0.71073","MoKα","","0.1131","0.0971","","","0.2035","0.2097","","","","","","1.128","","","","has coordinates,has disorder","303206","2025-11-06","00:28:11",""
"7719813","13.0593","0.0004","20.8865","0.0006","24.0412","0.0007","90","","90","","90","","6557.6","0.3","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H59 Eu F28 N Na O8 -","- C58 H59 Eu F28 N Na O8 -","- C232 H236 Eu4 F112 N4 Na4 O32 -","4","1","","Qian, Kun; Klepetarova, Blanka; Bour, Petr; Wu, Tao","Hydrogen-Bond-Stabilized Chiral Tetrakis Eu(III) Complex with Strong Circularly Polarized Luminescence","Dalton Transactions","2025","","","","","10.1039/D5DT02294K","","","1.5418","CuKα","","0.0431","0.0397","","0.1024","0.1009","0.1024","","","","","","0.9381","","","","has coordinates","303207","2025-11-06","00:29:10",""
"7719814","15.0718","0.0004","19.6057","0.0005","22.3568","0.0006","90","","90","","90","","6606.3","0.3","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H61 Eu F28 N2 O8 -","- C59 H61 Eu F28 N2 O8 -","- C236 H244 Eu4 F112 N8 O32 -","4","1","","Qian, Kun; Klepetarova, Blanka; Bour, Petr; Wu, Tao","Hydrogen-Bond-Stabilized Chiral Tetrakis Eu(III) Complex with Strong Circularly Polarized Luminescence","Dalton Transactions","2025","","","","","10.1039/D5DT02294K","","","1.54178","CuKα","","0.0533","0.0432","","0.1098","0.1059","0.1098","","","","","","0.9463","","","","has coordinates","303207","2025-11-06","00:29:14",""
"7719815","11.6139","0.0001","15.6548","0.0002","15.7104","0.0002","90","","90","","90","","2856.36","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Br2 N2 O2 Zn -","- C30 H26 Br2 N2 O2 Zn -","- C120 H104 Br8 N8 O8 Zn4 -","4","1","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.0417","0.0371","","","0.0963","0.1024","","","","","","1.061","","","","has coordinates","303787","2025-11-29","20:51:19",""
"7719816","5.5454","0.0001","5.0407","0.0001","32.1531","0.0003","90","","94.603","0.001","90","","895.87","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.037","0.0365","","","0.0927","0.0933","","","","","","1.081","","","","has coordinates","303787","2025-11-29","20:51:21",""
"7719817","8.9434","0.0002","11.9881","0.0003","20.7458","0.0004","90","","90","","90","","2224.25","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br2 Co N2 O2 -","- C21 H22 Br2 Co N2 O2 -","- C84 H88 Br8 Co4 N8 O8 -","4","1","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.0391","0.0325","","","0.0755","0.0781","","","","","","1.038","","","","has coordinates","303787","2025-11-29","20:51:21",""
"7719818","12.84","0.0002","15.9943","0.0003","19.56","0.0005","90","","90","","90","","4016.97","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H44 Br2 Co N4 O2 -","- C41 H44 Br2 Co N4 O2 -","- C164 H176 Br8 Co4 N16 O8 -","4","1","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.082","0.0602","","","0.1379","0.1515","","","","","","1.139","","","","has coordinates","303787","2025-11-29","20:51:21",""
"7719819","11.619","0.0002","15.6486","0.0004","15.7104","0.0003","90","","90","","90","","2856.48","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Br2 Co N2 O2 -","- C30 H26 Br2 Co N2 O2 -","- C120 H104 Br8 Co4 N8 O8 -","4","1","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.0414","0.0336","","","0.0824","0.0863","","","","","","1.042","","","","has coordinates","303787","2025-11-29","20:51:21",""
"7719820","10.1623","0.0002","17.4237","0.0002","17.5862","0.0004","61.32","0.002","76.181","0.002","83.663","0.001","2652.76","0.1","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C103 H110 Br6 Cl2 N12 O6 Zn3 -","- C103 H110 Br6 Cl2 N12 O6 Zn3 -","- C103 H110 Br6 Cl2 N12 O6 Zn3 -","1","1","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.0513","0.05","","","0.1295","0.1306","","","","","","1.067","","","","has coordinates","303787","2025-11-29","20:51:21",""
"7719821","16.5861","0.0006","9.8711","0.0003","27.9391","0.0011","90","","101.591","0.004","90","","4481","0.3","293","2","293","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C40 H40 Cd I2 N4 O8 -","- C40 H40 Cd I2 N4 O8 -","- C160 H160 Cd4 I8 N16 O32 -","4","1","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.0763","0.0571","","","0.1369","0.1608","","","","","","1.004","","","","has coordinates","303787","2025-11-29","20:51:21",""
"7719822","11.6369","0.0002","15.6256","0.0002","15.847","0.0002","90","","90","","90","","2881.52","0.07","292","2","292","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cd I2 N2 O2 -","- C30 H26 Cd I2 N2 O2 -","- C120 H104 Cd4 I8 N8 O8 -","4","1","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.0882","0.0862","","","0.2504","0.2548","","","","","","1.088","","","","has coordinates","303787","2025-11-29","20:51:21",""
"7719823","88.3041","0.0014","27.8265","0.0003","7.9964","0.0001","90","","90","","90","","19648.7","0.4","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C50 H34 Br2 Co N2 O2 -","- C50 H34 Br2 Co N2 O2 -","- C1000 H680 Br40 Co20 N40 O40 -","20","5","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.1067","0.0764","","","0.1638","0.1784","","","","","","1.03","","","","has coordinates","303787","2025-11-29","20:51:21",""
"7719824","10.5827","0.0002","15.4896","0.0003","19.1308","0.0003","90","","90","","90","","3135.95","0.1","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 Cl2 N4 O8 Zn -","- C31 H28 Cl2 N4 O8 Zn -","- C124 H112 Cl8 N16 O32 Zn4 -","4","1","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.0431","0.0419","","","0.1148","0.116","","","","","","1.04","","","","has coordinates","303787","2025-11-29","20:51:21",""
"7719825","11.6207","0.0002","15.7953","0.0002","16.0535","0.0002","90","","90","","90","","2946.66","0.07","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 I2 N2 O2 Zn -","- C30 H26 I2 N2 O2 Zn -","- C120 H104 I8 N8 O8 Zn4 -","4","1","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.0265","0.0242","","","0.0555","0.0568","","","","","","1.046","","","","has coordinates","303787","2025-11-29","20:51:21",""
"7719826","20.3881","0.0003","7.6278","0.0002","28.2622","0.0005","90","","95.495","0.002","90","","4375.04","0.15","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C92 H75 Br6 F6 N7 O6 Zn3 -","- C92 H75 Br6 F6 N7 O6 Zn3 -","- C184 H150 Br12 F12 N14 O12 Zn6 -","2","1","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.0484","0.045","","","0.1275","0.1307","","","","","","1.038","","","","has coordinates","303787","2025-11-29","20:51:21",""
"7719827","9.6188","0.0002","12.488","0.0002","20.1106","0.0003","90","","90","","90","","2415.68","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Br2 Co N2 O2 -","- C23 H26 Br2 Co N2 O2 -","- C92 H104 Br8 Co4 N8 O8 -","4","1","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.044","0.031","","","0.0661","0.0689","","","","","","1.052","","","","has coordinates","303787","2025-11-29","20:51:21",""
"7719828","9.9588","0.0003","11.8825","0.0003","23.1348","0.0012","90","","102.198","0.004","90","","2675.86","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H54 Br2 N6 O14 Zn -","- C50 H54 Br2 N6 O14 Zn -","- C100 H108 Br4 N12 O28 Zn2 -","2","1","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.0923","0.0721","","","0.1852","0.2032","","","","","","1.09","","","","has coordinates","303787","2025-11-29","20:51:21",""
"7719829","13.3934","0.0002","16.74","0.0003","17.6341","0.0002","90","","90","","90","","3953.66","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Br2 N4 O8 Zn -","- C40 H40 Br2 N4 O8 Zn -","- C160 H160 Br8 N16 O32 Zn4 -","4","1","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.0374","0.0315","","","0.0763","0.0795","","","","","","1.033","","","","has coordinates","303787","2025-11-29","20:51:21",""
"7719830","10.0171","0.001","12.0161","0.0013","23.106","0.002","90","","102.115","0.01","90","","2719.2","0.5","265","2","265","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H54 Br2 Co N6 O14 -","- C50 H54 Br2 Co N6 O14 -","- C100 H108 Br4 Co2 N12 O28 -","2","1","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.2203","0.0841","","","0.1875","0.2474","","","","","","0.95","","","","has coordinates","303787","2025-11-29","20:51:21",""
"7719831","8.9864","0.0001","17.3007","0.0002","26.6213","0.0003","90","","90","","90","","4138.84","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H37 Cl2 Co N3 O2 -","- C52 H37 Cl2 Co N3 O2 -","- C208 H148 Cl8 Co4 N12 O8 -","4","1","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.058","0.0515","","","0.1396","0.1455","","","","","","1.037","","","","has coordinates","303787","2025-11-29","20:51:21",""
"7719832","16.454","0.0003","9.7175","0.0002","27.9903","0.0006","90","","102.116","0.002","90","","4375.73","0.16","293","2","293","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C40 H40 Br2 Co N4 O8 -","- C40 H40 Br2 Co N4 O8 -","- C160 H160 Br8 Co4 N16 O32 -","4","1","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.0434","0.0363","","","0.0898","0.0936","","","","","","1.028","","","","has coordinates","303787","2025-11-29","20:51:21",""
"7719833","11.6376","0.0002","15.6304","0.0002","15.8479","0.0002","90","","90","","90","","2882.74","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Br2 Cd N2 O2 -","- C30 H26 Br2 Cd N2 O2 -","- C120 H104 Br8 Cd4 N8 O8 -","4","1","","Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Kokan, Zoran; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko I","Induction of helical chirality in tetrahedral transition metal complexes with non-bridging monodentate oxazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17083","17101","10.1039/d5dt02399h","","","1.54184","CuKα","","0.0292","0.0271","","","0.0682","0.0694","","","","","","1.071","","","","has coordinates","303787","2025-11-29","20:51:21",""
"7719834","11.9952","0.0008","13.2312","0.0008","11.8979","0.001","90","","104.765","0.007","90","","1826","0.2","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 F6 Hg N8 S4 Si -","- C4 H16 F6 Hg N8 S4 Si -","- C16 H64 F24 Hg4 N32 S16 Si4 -","4","1","","Li, Peng-Fei; Liu, Xin-Lei; Zhou, Si-Qi; Wang, Ming-Chang; Wu, Jing-Jing; Zhong, Yu-Wu; Yao, Jiannian","Hg[CS(NH<sub>2</sub>)<sub>2</sub>]<sub>4</sub>(SiF<sub>6</sub>): a fluorosilicate crystal with large birefringence achieved <i>via</i> multi-functional group modification.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17189","17195","10.1039/d5dt02412a","","","0.71073","MoKα","","0.0433","0.0344","","","0.0753","0.0812","","","","","","1.028","","","","has coordinates","303784","2025-11-29","20:49:45",""
"7719835","11.9372","0.0003","11.931","0.0003","15.1968","0.0004","90","","103.967","0.001","90","","2100.38","0.09","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 B10 -","- C18 H24 B10 -","- C72 H96 B40 -","4","1","","Zhuo, Qihang; Zhang, Jie; Xie, Zuowei","Nickel-catalyzed 1,2-dialkenylation of <i>o</i>-carboranes with alkenyl bromides.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17430","17433","10.1039/d5dt02451j","","","1.54178","CuKα","","0.0882","0.0765","","","0.2216","0.2484","","","","","","1.07","","","","has coordinates","304103","2025-12-07","04:38:09",""
"7719836","11.7036","0.0011","19.487","0.0018","9.7246","0.0009","90","","90","","90","","2217.9","0.4","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H28 B10 -","- C20 H28 B10 -","- C80 H112 B40 -","4","0.5","","Zhuo, Qihang; Zhang, Jie; Xie, Zuowei","Nickel-catalyzed 1,2-dialkenylation of <i>o</i>-carboranes with alkenyl bromides.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17430","17433","10.1039/d5dt02451j","","","0.71073","MoKα","","0.0673","0.059","","","0.1726","0.1819","","","","","","1.039","","","","has coordinates","304103","2025-12-07","04:38:15",""
"7719837","10.1437","0.0009","11.9311","0.0011","17.0265","0.0016","90","","90.734","0.002","90","","2060.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 B10 -","- C16 H32 B10 -","- C64 H128 B40 -","4","1","","Zhuo, Qihang; Zhang, Jie; Xie, Zuowei","Nickel-catalyzed 1,2-dialkenylation of <i>o</i>-carboranes with alkenyl bromides.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17430","17433","10.1039/d5dt02451j","","","1.54178","CuKα","","0.0509","0.0497","","","0.1461","0.1478","","","","","","1.042","","","","has coordinates","304103","2025-12-07","04:38:15",""
"7719838","7.286","0.007","12.443","0.009","12.891","0.011","84.61","0.03","77.99","0.03","82.09","0.03","1129.7","1.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 B10 Cl2 -","- C18 H22 B10 Cl2 -","- C36 H44 B20 Cl4 -","2","1","","Zhuo, Qihang; Zhang, Jie; Xie, Zuowei","Nickel-catalyzed 1,2-dialkenylation of <i>o</i>-carboranes with alkenyl bromides.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17430","17433","10.1039/d5dt02451j","","","0.71073","MoKα","","0.0881","0.0613","","","0.1441","0.1595","","","","","","1.03","","","","has coordinates","304103","2025-12-07","04:38:15",""
"7719839","9.73","0.0009","11.2672","0.0011","13.1057","0.0013","90.209","0.003","95.752","0.003","107.318","0.003","1363.9","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H36 B10 -","- C24 H36 B10 -","- C48 H72 B20 -","2","1","","Zhuo, Qihang; Zhang, Jie; Xie, Zuowei","Nickel-catalyzed 1,2-dialkenylation of <i>o</i>-carboranes with alkenyl bromides.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17430","17433","10.1039/d5dt02451j","","","0.71073","MoKα","","0.1075","0.0851","","","0.2368","0.2602","","","","","","1.04","","","","has coordinates,has disorder","304103","2025-12-07","04:38:15",""
"7719840","28.892","0.002","10.2175","0.0008","14.592","0.0011","90","","90","","90","","4307.6","0.6","297","2","297","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H22 B10 F2 -","- C18 H22 B10 F2 -","- C144 H176 B80 F16 -","8","1","","Zhuo, Qihang; Zhang, Jie; Xie, Zuowei","Nickel-catalyzed 1,2-dialkenylation of <i>o</i>-carboranes with alkenyl bromides.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17430","17433","10.1039/d5dt02451j","","","0.71073","MoKα","","0.1003","0.0816","","","0.2262","0.2429","","","","","","1.04","","","","has coordinates","304103","2025-12-07","04:38:15",""
"7719841","12.4815","0.0012","7.6027","0.0006","38.132","0.003","90","","95.013","0.003","90","","3604.6","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N7 O9 Y -","- C36 H44 N7 O9 Y -","- C144 H176 N28 O36 Y4 -","4","1","","El Beyrouti, Nour; Hamon, Nadège; Caussin, Louis; Fréroux, Yoann; Dallon, Marie; Roisnel, Thierry; Le Guennic, Boris; Rigaut, Stéphane; Tripier, Raphaël; Norel, Lucie","Photochromic macrocyclic complexes of yttrium(III) undergoing merocyanine to spiropyran isomerization as models for single-molecule magnet switch candidates.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17196","17203","10.1039/d5dt02008e","","x-ray","0.71073","MoKα","","0.0472","0.0419","","","0.0927","0.0943","","","","","","1.174","","","","has coordinates","303792","2025-11-29","20:53:15",""
"7719842","52.331","0.006","11.413","0.0013","16.8157","0.0019","90","","105.896","0.005","90","","9659.2","1.9","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 Dy N7 O12 -","- C34 H42 Dy N7 O12 -","- C272 H336 Dy8 N56 O96 -","8","1","","El Beyrouti, Nour; Hamon, Nadège; Caussin, Louis; Fréroux, Yoann; Dallon, Marie; Roisnel, Thierry; Le Guennic, Boris; Rigaut, Stéphane; Tripier, Raphaël; Norel, Lucie","Photochromic macrocyclic complexes of yttrium(III) undergoing merocyanine to spiropyran isomerization as models for single-molecule magnet switch candidates.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17196","17203","10.1039/d5dt02008e","","x-ray","0.71073","MoKα","","0.045","0.032","","","0.0824","0.0878","","","","","","1.051","","","","has coordinates","303792","2025-11-29","20:53:16",""
"7719843","9.4468","0.001","15.103","0.002","16.446","0.002","84.413","0.004","76.829","0.004","76.662","0.004","2220.6","0.5","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C34 H40 N7 O11 Y -","- C34 H40 N7 O11 Y -","- C68 H80 N14 O22 Y2 -","2","1","","El Beyrouti, Nour; Hamon, Nadège; Caussin, Louis; Fréroux, Yoann; Dallon, Marie; Roisnel, Thierry; Le Guennic, Boris; Rigaut, Stéphane; Tripier, Raphaël; Norel, Lucie","Photochromic macrocyclic complexes of yttrium(III) undergoing merocyanine to spiropyran isomerization as models for single-molecule magnet switch candidates.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17196","17203","10.1039/d5dt02008e","","x-ray","0.71073","MoKα","","0.0595","0.0477","","","0.119","0.1277","","","","","","1.025","","","","has coordinates","303792","2025-11-29","20:53:16",""
"7719844","18.2474","0.0001","18.2474","0.0001","30.4342","0.0003","90","","90","","90","","10133.6","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H36 Fe O Si4 -","- C20 H36 Fe O Si4 -","- C320 H576 Fe16 O16 Si64 -","16","1","","Heurix, Madeleine; Harmach, Petr; Torvisco, Ana; Fischer, Roland C.; Wiech, Mathias; Císařová, Ivana; Gescheidt, Georg; Štěpnička, Petr; Haas, Michael","Synthesis, structure, photochemical and electrochemical properties of α-germyl ferrocenyl ketones.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17611","17620","10.1039/d5dt02029h","","x-ray","1.54184","CuKα","","0.0245","0.0215","","","0.0541","0.0549","","","","","","1.033","","","","has coordinates","304102","2025-12-07","04:20:44",""
"7719845","14.089","0.0003","16.1723","0.0002","21.2268","0.0004","90","","101.923","0.0019","90","","4732.22","0.15","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Fe4 Ge O4 -","- C44 H36 Fe4 Ge O4 -","- C176 H144 Fe16 Ge4 O16 -","4","0.5","","Heurix, Madeleine; Harmach, Petr; Torvisco, Ana; Fischer, Roland C.; Wiech, Mathias; Císařová, Ivana; Gescheidt, Georg; Štěpnička, Petr; Haas, Michael","Synthesis, structure, photochemical and electrochemical properties of α-germyl ferrocenyl ketones.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17611","17620","10.1039/d5dt02029h","","x-ray","1.54184","CuKα","","0.0681","0.0573","","","0.1584","0.1662","","","","","","1.068","","","","has coordinates","304102","2025-12-07","04:20:55",""
"7719846","18.39641","0.0001","14.34083","0.0001","26.21799","0.00018","90","","90","","90","","6916.82","0.08","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H42 Fe Ge O4 -","- C41 H42 Fe Ge O4 -","- C328 H336 Fe8 Ge8 O32 -","8","1","","Heurix, Madeleine; Harmach, Petr; Torvisco, Ana; Fischer, Roland C.; Wiech, Mathias; Císařová, Ivana; Gescheidt, Georg; Štěpnička, Petr; Haas, Michael","Synthesis, structure, photochemical and electrochemical properties of α-germyl ferrocenyl ketones.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17611","17620","10.1039/d5dt02029h","","x-ray","1.54184","CuKα","","0.0267","0.024","","","0.0598","0.0611","","","","","","1.035","","","","has coordinates,has disorder","304102","2025-12-07","04:20:55",""
"7719847","11.0624","0.0007","17.8802","0.0013","18.5402","0.0013","91.662","0.003","105.985","0.003","91.46","0.003","3521.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 Fe O3 Si4 -","- C34 H46 Fe O3 Si4 -","- C136 H184 Fe4 O12 Si16 -","4","2","","Heurix, Madeleine; Harmach, Petr; Torvisco, Ana; Fischer, Roland C.; Wiech, Mathias; Císařová, Ivana; Gescheidt, Georg; Štěpnička, Petr; Haas, Michael","Synthesis, structure, photochemical and electrochemical properties of α-germyl ferrocenyl ketones.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17611","17620","10.1039/d5dt02029h","","","0.71073","MoKα","","0.063","0.0568","","","0.1458","0.1521","","","","","","1.058","","","","has coordinates","304102","2025-12-07","04:20:55",""
"7719848","18.27024","0.00004","18.27024","0.00004","30.63623","0.00011","90","","90","","90","","10226.4","0.05","100","0.1","100","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H36 Fe Ge O Si3 -","- C20 H36 Fe Ge O Si3 -","- C320 H576 Fe16 Ge16 O16 Si48 -","16","1","","Heurix, Madeleine; Harmach, Petr; Torvisco, Ana; Fischer, Roland C.; Wiech, Mathias; Císařová, Ivana; Gescheidt, Georg; Štěpnička, Petr; Haas, Michael","Synthesis, structure, photochemical and electrochemical properties of α-germyl ferrocenyl ketones.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17611","17620","10.1039/d5dt02029h","","x-ray","1.54184","CuKα","","0.0171","0.0169","","","0.0422","0.0423","","","","","","1.13","","","","has coordinates","304102","2025-12-07","04:20:56",""
"7719849","8.7364","0.0009","10.2213","0.0009","14.6413","0.0013","103.505","0.002","96.261","0.003","114.33","0.002","1126.86","0.19","102","2","102","","","","","","","","","6","P -1","-P 1","2","","20221222L1CuI","","- C32 H48 Cu4 I4 N4 Si4 -","- C32 H48 Cu4 I4 N4 Si4 -","- C32 H48 Cu4 I4 N4 Si4 -","1","0.5","","Yamanoi, Yoshinori; Zhao, Yongjin; Nakae, Toyotaka; Segawa, Kaito; Yoshida, Masaki; Kato, Masako; Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke; Kitajima, Showa; Kasai, Hitoshi; Oka, Kouki; Ito, Suguru","A disilane-bonded bis(methylpyridine) Cu(I) complex exhibiting reversible trigonal-tetrahedral switch with stimuli-responsive luminescence.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17425","17429","10.1039/d5dt01893e","","","0.71073","MoKα","","0.0839","0.0525","","","0.1169","0.1324","","","","","","1.056","","","","has coordinates","304104","2025-12-07","04:43:24",""
"7719850","7.9194","0.0003","10.1787","0.0003","13.1697","0.0004","90","","101.289","0.003","90","","1041.06","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 F2 K2 O7 P2 Zr -","- C2 H4 F2 K2 O7 P2 Zr -","- C8 H16 F8 K8 O28 P8 Zr4 -","4","1","","Liu, Shu-Zhen; Zhao, Ying-Ying; Ren, Yu-Wei; Chen, Ziyuan; Yang, Lu; Chen, Zhi-Hua; Wei, Zhongxin; Sun, Hai-Yan; Feng, Mei-Ling; Huang, Xiao-Ying","Syntheses, crystal structures, and proton conduction properties of two zirconium fluorophosphonates","Dalton Transactions","2025","","","","","10.1039/D5DT01846C","","","0.71073","MoKα","","0.0298","0.0241","","","0.0509","0.0532","","","","","","1.055","","","","has coordinates","303230","2025-11-08","00:17:04",""
"7719851","7.9239","0.0002","10.255","0.0003","14.1277","0.0004","90","","103.384","0.003","90","","1116.83","0.06","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 H12 F2 N2 O7 P2 Zr -","- C2 H12 F2 N2 O7 P2 Zr -","- C8 H48 F8 N8 O28 P8 Zr4 -","4","1","","Liu, Shu-Zhen; Zhao, Ying-Ying; Ren, Yu-Wei; Chen, Ziyuan; Yang, Lu; Chen, Zhi-Hua; Wei, Zhongxin; Sun, Hai-Yan; Feng, Mei-Ling; Huang, Xiao-Ying","Syntheses, crystal structures, and proton conduction properties of two zirconium fluorophosphonates","Dalton Transactions","2025","","","","","10.1039/D5DT01846C","","","1.54178","CuKα","","0.0349","0.033","","","0.088","0.0895","","","","","","1.046","","","","has coordinates","303230","2025-11-08","00:17:04",""
"7719852","16.0083","0.0009","7.2803","0.0006","21.4688","0.0013","90","","98.153","0.006","90","","2476.8","0.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl F3 N4 O3 Pt S -","- C24 H20 Cl F3 N4 O3 Pt S -","- C96 H80 Cl4 F12 N16 O12 Pt4 S4 -","4","1","","Zowiślok, Bartosz; Świtlicka, Anna; Maroń, Anna Maria; Cwynar, Krzysztof; Dzida, Marzena; Libera, Marcin; Siwy, Mariola; Kowalska, Dorota; Maćkowski, Sebastian; Schab-Balcerzak, Ewa","From stimuli-responsive emission to a rare aggregation induced emission effect in platinum(II) terpyridyl complexes.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17287","17298","10.1039/d5dt01391g","","x-ray","0.71073","MoKα","","0.0859","0.0543","","","0.1265","0.144","","","","","","0.971","","","","has coordinates","303785","2025-11-29","20:49:56",""
"7719853","9.6366","0.0003","14.5962","0.0005","9.6954","0.0003","90","","98.992","0.001","90","","1346.97","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","Barton, Kyle J.; Hedberg, Emma N.; Horton, Alexandria R.; Allen, Jacqueline N.; Wheeler, Kraig A.; Cravens, Shannen L.; Bailey, Wilson D.","Pyridyl β-ketoenols, pyrazoles and their zinc complexes: synthesis, photophysical properties, and DNA binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17299","17310","10.1039/d5dt01900a","","x-ray","0.71073","MoKα","K-L~3~","0.0428","0.0386","","","0.1139","0.1185","","","","","","1.037","","","","has coordinates,has disorder","303791","2025-11-29","20:52:50",""
"7719854","9.8859","0.0013","10.8489","0.0014","20.943","0.003","90","","90","","90","","2246.2","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 N7 -","- C27 H27 N7 -","- C108 H108 N28 -","4","1","","Barton, Kyle J.; Hedberg, Emma N.; Horton, Alexandria R.; Allen, Jacqueline N.; Wheeler, Kraig A.; Cravens, Shannen L.; Bailey, Wilson D.","Pyridyl β-ketoenols, pyrazoles and their zinc complexes: synthesis, photophysical properties, and DNA binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17299","17310","10.1039/d5dt01900a","","x-ray","1.54178","CuKα","K-L~3~","0.027","0.0262","","","0.0663","0.067","","","","","","1.044","","","","has coordinates","303791","2025-11-29","20:52:51",""
"7719855","6.098","0.003","14.862","0.01","24.487","0.015","90","","92.87","0.03","90","","2216","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N3 O4 -","- C27 H27 N3 O4 -","- C108 H108 N12 O16 -","4","1","","Barton, Kyle J.; Hedberg, Emma N.; Horton, Alexandria R.; Allen, Jacqueline N.; Wheeler, Kraig A.; Cravens, Shannen L.; Bailey, Wilson D.","Pyridyl β-ketoenols, pyrazoles and their zinc complexes: synthesis, photophysical properties, and DNA binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17299","17310","10.1039/d5dt01900a","","x-ray","1.54184","CuKα","K-L~3~","0.0923","0.0555","","","0.1322","0.1601","","","","","","1.086","","","","has coordinates,has disorder","303791","2025-11-29","20:52:51",""
"7719856","11.5707","0.0003","6.0057","0.0002","19.0933","0.0006","90","","98.018","0.001","90","","1313.83","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N4 -","- C16 H16 N4 -","- C64 H64 N16 -","4","1","","Barton, Kyle J.; Hedberg, Emma N.; Horton, Alexandria R.; Allen, Jacqueline N.; Wheeler, Kraig A.; Cravens, Shannen L.; Bailey, Wilson D.","Pyridyl β-ketoenols, pyrazoles and their zinc complexes: synthesis, photophysical properties, and DNA binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17299","17310","10.1039/d5dt01900a","","x-ray","1.54178","CuKα","","0.0415","0.0366","","","0.0942","0.0982","","","","","","1.049","","","","has coordinates","303791","2025-11-29","20:52:51",""
"7719857","8.1741","0.0009","10.6497","0.0012","26.131","0.003","90","","96.891","0.004","90","","2258.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N3 O4 -","- C27 H27 N3 O4 -","- C108 H108 N12 O16 -","4","1","","Barton, Kyle J.; Hedberg, Emma N.; Horton, Alexandria R.; Allen, Jacqueline N.; Wheeler, Kraig A.; Cravens, Shannen L.; Bailey, Wilson D.","Pyridyl β-ketoenols, pyrazoles and their zinc complexes: synthesis, photophysical properties, and DNA binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17299","17310","10.1039/d5dt01900a","","x-ray","1.54184","CuKα","K-L~3~","0.1374","0.0896","","","0.1801","0.212","","","","","","1.086","","","","has coordinates","303791","2025-11-29","20:52:51",""
"7719858","13.2533","0.0003","11.8894","0.0003","23.1759","0.0005","90","","105.245","0.002","90","","3523.4","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Cl2 N9 O2 Zn -","- C33 H41 Cl2 N9 O2 Zn -","- C132 H164 Cl8 N36 O8 Zn4 -","4","1","","Barton, Kyle J.; Hedberg, Emma N.; Horton, Alexandria R.; Allen, Jacqueline N.; Wheeler, Kraig A.; Cravens, Shannen L.; Bailey, Wilson D.","Pyridyl β-ketoenols, pyrazoles and their zinc complexes: synthesis, photophysical properties, and DNA binding.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17299","17310","10.1039/d5dt01900a","","x-ray","1.54178","CuKα","K-L~3~","0.0627","0.0462","","","0.1047","0.1154","","","","","","1.064","","","","has coordinates","303791","2025-11-29","20:52:51",""
"7719859","16.9079","0.0008","24.1648","0.0009","22.4364","0.0011","90","","98.053","0.002","90","","9076.6","0.7","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H48 Co Mo12 N12 O62 P8 -","- C30 H48 Co Mo12 N12 O62 P8 -","- C120 H192 Co4 Mo48 N48 O248 P32 -","4","0.5","","Zhang, Guoshuai; Zhu, Na; Hu, Xiao-Li","Co{P4Mo6}-based Compound as Electrochemical Sensor for Highly Sensitive Detection of Cr(VI)","Dalton Transactions","2025","","","","","10.1039/D5DT02495A","","","0.71073","MoKα","","0.0953","0.0783","","","0.1981","0.211","","","","","","1.096","","","","has coordinates","303269","2025-11-12","00:07:08",""
"7719860","5.1861","0.0002","7.2579","0.0004","11.3948","0.0006","86.535","0.005","89.903","0.004","89.073","0.004","428.06","0.04","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- Cs H O4 Te -","- Cs O4 Te -","- Cs4 O16 Te4 -","4","2","","Gragg, Madalyn R.; Iwanicki, Allana G.; Siegler, Maxime A.; McQueen, Tyrel M.","Hydroflux crystal growth of alkali tellurate oxide-hydroxides.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17638","17645","10.1039/d5dt01468a","","","0.71073","MoKα","","0.0463","0.0286","","","0.0501","0.0558","","","","","","1.031","","","","has coordinates","304106","2025-12-07","05:00:33",""
"7719861","13.2352","0.0008","7.8537","0.0004","9.6019","0.0006","90","","109.739","0.007","90","","939.43","0.1","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cu4 H2 K2 O18 Te6 -","- Cu4 K2 O18 Te6 -","- Cu8 K4 O36 Te12 -","2","0.5","","Gragg, Madalyn R.; Iwanicki, Allana G.; Siegler, Maxime A.; McQueen, Tyrel M.","Hydroflux crystal growth of alkali tellurate oxide-hydroxides.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17638","17645","10.1039/d5dt01468a","","","0.71073","MoKα","","0.0448","0.0301","","","0.0557","0.0605","","","","","","1.044","","","","has coordinates","304106","2025-12-07","05:00:36",""
"7719862","5.663","0.0002","14.6253","0.0006","7.3375","0.0003","90","","100.55","0.004","90","","597.44","0.04","213","2","213","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cs2 Cu3 O10 Te2 -","- Cs2.0028 Cu3 O10 Te2 -","- Cs4.0056 Cu6 O20 Te4 -","2","0.25","","Gragg, Madalyn R.; Iwanicki, Allana G.; Siegler, Maxime A.; McQueen, Tyrel M.","Hydroflux crystal growth of alkali tellurate oxide-hydroxides.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17638","17645","10.1039/d5dt01468a","","","0.71073","MoKα","","0.0281","0.0257","","","0.0656","0.0668","","","","","","1.231","","","","has coordinates,has disorder","304106","2025-12-07","05:00:36",""
"7719863","12.2438","0.0003","24.9067","0.0007","35.1266","0.0009","90","","90","","90","","10711.9","0.5","273.15","","273.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","10febc","","- C33 H30 N3 P -","- C33 H30 N3 P -","- C528 H480 N48 P16 -","16","2","","Yadav, Archana; Angamuthu, Raja; Butcher, R. J.; Singh, Ritika Gautam; Chaudhary, Kajal; Dewan, Sayari","Hemiparetic Koneramine NNP Ligand Comprising Strategic Hard and Soft Donors: Transition Metal Complexes, CS2 Activation and Therapeutic Potential","Dalton Transactions","2025","","","","","10.1039/D5DT02106E","","","0.71073","MoKα","","0.0835","0.0472","","","0.0949","0.1208","","","","","","1.1072","","","","has coordinates","303271","2025-11-12","00:15:24",""
"7719864","10.3188","0.0012","12.7542","0.0015","17.1219","0.0019","100.491","0.003","97.584","0.003","112.179","0.003","2001.3","0.4","273.15","","273.15","","","","","","","","","8","P -1","-P 1","2","","9marb_0m","","- C38 H36 Cl4 N3 O P Ru S4 -","- C38 H36 Cl4 N3 O P Ru S4 -","- C76 H72 Cl8 N6 O2 P2 Ru2 S8 -","2","1","","Yadav, Archana; Dewan, Sayari; Chaudhary, Kajal; Butcher, Ray J.; Singh, Ritika Gautam; Angamuthu, Raja","Hemiparetic koneramine NNP ligand comprising strategic hard and soft donors: transition metal complexes, CS<sub>2</sub> activation and therapeutic potential.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17471","17478","10.1039/d5dt02106e","","","0.71073","MoKα","","0.0411","0.0351","","","0.0891","0.095","","","","","","1.0526","","","","has coordinates","304105","2025-12-07","04:58:53",""
"7719865","19.6143","0.0009","15.1465","0.0007","10.1231","0.0005","90","","90","","90","","3007.5","0.2","273.15","","273.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","25mayb","","- C33 H30 Cu I N3 P -","- C33 H30 Cu I N3 P -","- C132 H120 Cu4 I4 N12 P4 -","4","1","","Yadav, Archana; Dewan, Sayari; Chaudhary, Kajal; Butcher, Ray J.; Singh, Ritika Gautam; Angamuthu, Raja","Hemiparetic koneramine NNP ligand comprising strategic hard and soft donors: transition metal complexes, CS<sub>2</sub> activation and therapeutic potential.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17471","17478","10.1039/d5dt02106e","","","0.71073","MoKα","","0.0333","0.0313","","","0.0657","0.0667","","","","","","1.0416","","","","has coordinates","304105","2025-12-07","04:59:04",""
"7719866","19.162","0.004","9.563","0.002","20.013","0.005","90","","101.933","0.007","90","","3588.1","1.4","273.15","","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3febd","","- C37 H44 Cl2 N3 O3 P Pd -","- C37 H40 Cl2 N3 O P Pd -","- C148 H160 Cl8 N12 O4 P4 Pd4 -","4","1","","Yadav, Archana; Dewan, Sayari; Chaudhary, Kajal; Butcher, Ray J.; Singh, Ritika Gautam; Angamuthu, Raja","Hemiparetic koneramine NNP ligand comprising strategic hard and soft donors: transition metal complexes, CS<sub>2</sub> activation and therapeutic potential.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17471","17478","10.1039/d5dt02106e","","","0.71073","MoKα","","0.0773","0.0591","","","0.1131","0.1203","","","","","","1.0462","","","","has coordinates","304105","2025-12-07","04:59:04",""
"7719867","19.123","0.004","13.942","0.003","20.518","0.004","90","","109.988","0.006","90","","5140.9","1.9","273","2","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","23dece","","- C56 H56 Cl5 N3 O P2 Ru -","- C56 H56 Cl5 N3 O P2 Ru -","- C224 H224 Cl20 N12 O4 P8 Ru4 -","4","1","","Yadav, Archana; Dewan, Sayari; Chaudhary, Kajal; Butcher, Ray J.; Singh, Ritika Gautam; Angamuthu, Raja","Hemiparetic koneramine NNP ligand comprising strategic hard and soft donors: transition metal complexes, CS<sub>2</sub> activation and therapeutic potential.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17471","17478","10.1039/d5dt02106e","","","0.71073","MoKα","","0.0725","0.0421","","","0.0855","0.1071","","","","","","1.118","","","","has coordinates","304105","2025-12-07","04:59:04",""
"7719868","9.363","0.0019","11.082","0.002","17.163","0.003","77.395","0.005","88.124","0.005","66.36","0.006","1589.1","0.5","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","26 maya","","- C35 H33 Cl2 N4 Ni P -","- C35 H33 Cl2 N4 Ni P -","- C70 H66 Cl4 N8 Ni2 P2 -","2","1","","Yadav, Archana; Dewan, Sayari; Chaudhary, Kajal; Butcher, Ray J.; Singh, Ritika Gautam; Angamuthu, Raja","Hemiparetic koneramine NNP ligand comprising strategic hard and soft donors: transition metal complexes, CS<sub>2</sub> activation and therapeutic potential.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17471","17478","10.1039/d5dt02106e","","","0.71073","MoKα","","0.0721","0.0546","","","0.1104","0.1211","","","","","","1.0825","","","","has coordinates","304105","2025-12-07","04:59:04",""
"7719869","14.7065","0.0015","9.5484","0.001","19.838","0.002","90","","98.113","0.003","90","","2757.8","0.5","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","16maya_0m_a","","- C33 H30 Cl Cu N3 P -","- C33 H30 Cl Cu N3 P -","- C132 H120 Cl4 Cu4 N12 P4 -","4","1","","Yadav, Archana; Dewan, Sayari; Chaudhary, Kajal; Butcher, Ray J.; Singh, Ritika Gautam; Angamuthu, Raja","Hemiparetic koneramine NNP ligand comprising strategic hard and soft donors: transition metal complexes, CS<sub>2</sub> activation and therapeutic potential.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17471","17478","10.1039/d5dt02106e","","","0.71073","MoKα","","0.0665","0.0435","","","0.0948","0.1074","","","","","","1.051","","","","has coordinates","304105","2025-12-07","04:59:04",""
"7719870","11.7616","0.0006","11.7873","0.0005","12.0837","0.0006","89.683","0.002","85.783","0.002","78.997","0.002","1639.94","0.14","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","5jula_O_0m","","- C35 H33.2 Cl3 N3 O1.1 P Ru -","- C35 H33 Cl3 N3 O P Ru -","- C70 H66 Cl6 N6 O2 P2 Ru2 -","2","1","","Yadav, Archana; Dewan, Sayari; Chaudhary, Kajal; Butcher, Ray J.; Singh, Ritika Gautam; Angamuthu, Raja","Hemiparetic koneramine NNP ligand comprising strategic hard and soft donors: transition metal complexes, CS<sub>2</sub> activation and therapeutic potential.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17471","17478","10.1039/d5dt02106e","","","0.71073","MoKα","","0.0407","0.0331","","","0.081","0.0847","","","","","","1.0298","","","","has coordinates","304105","2025-12-07","04:59:04",""
"7719871","10.6154","0.0009","17.3832","0.0015","15.9872","0.0016","90","","90.263","0.003","90","","2950.1","0.5","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","27octf","","- C33 H30 Cl2 N3 P Zn -","- C33 H30 Cl2 N3 P Zn -","- C132 H120 Cl8 N12 P4 Zn4 -","4","1","","Yadav, Archana; Dewan, Sayari; Chaudhary, Kajal; Butcher, Ray J.; Singh, Ritika Gautam; Angamuthu, Raja","Hemiparetic koneramine NNP ligand comprising strategic hard and soft donors: transition metal complexes, CS<sub>2</sub> activation and therapeutic potential.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17471","17478","10.1039/d5dt02106e","","","0.71073","MoKα","","0.0594","0.0434","","","0.0946","0.1074","","","","","","1.0697","","","","has coordinates","304105","2025-12-07","04:59:04",""
"7719872","10.0277","0.0014","14.344","0.002","14.788","0.002","113.653","0.003","96.348","0.003","108.767","0.003","1773","0.4","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","12mayd","","- C26 H33.5 Cl0.5 N1.5 O3.5 P0.5 Ru0.5 -","- C34 H31 Cl N3 O P Ru -","- C68 H62 Cl2 N6 O2 P2 Ru2 -","2","1","","Yadav, Archana; Dewan, Sayari; Chaudhary, Kajal; Butcher, Ray J.; Singh, Ritika Gautam; Angamuthu, Raja","Hemiparetic koneramine NNP ligand comprising strategic hard and soft donors: transition metal complexes, CS<sub>2</sub> activation and therapeutic potential.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17471","17478","10.1039/d5dt02106e","","","0.71073","MoKα","","0.0753","0.0543","","","0.1383","0.1574","","","","","","1.0834","","","","has coordinates","304105","2025-12-07","04:59:04",""
"7719873","9.4411","0.0003","13.4278","0.0004","17.6952","0.0005","83.854","0.001","76.261","0.001","78.513","0.001","2131.23","0.11","273.15","","273.15","","","","","","","","","8","P -1","-P 1","2","","1augb_0m","","- C42 H41 Cl4 F6 N3 P2 Pd S -","- C41 H39 Cl2 F6 N3 P2 Pd S -","- C82 H78 Cl4 F12 N6 P4 Pd2 S2 -","2","1","","Yadav, Archana; Dewan, Sayari; Chaudhary, Kajal; Butcher, Ray J.; Singh, Ritika Gautam; Angamuthu, Raja","Hemiparetic koneramine NNP ligand comprising strategic hard and soft donors: transition metal complexes, CS<sub>2</sub> activation and therapeutic potential.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17471","17478","10.1039/d5dt02106e","","","0.71073","MoKα","","0.0447","0.0374","","","0.0851","0.0906","","","","","","1.0449","","","","has coordinates","304105","2025-12-07","04:59:04",""
"7719874","9.8128","0.0004","17.7134","0.0008","17.5485","0.0008","90","","101.136","0.001","90","","2992.8","0.2","273.15","","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","31augb_a","","- C34 H35 B N3 O P Ru -","- C34 H35 B N3 O P Ru -","- C136 H140 B4 N12 O4 P4 Ru4 -","4","1","","Yadav, Archana; Dewan, Sayari; Chaudhary, Kajal; Butcher, Ray J.; Singh, Ritika Gautam; Angamuthu, Raja","Hemiparetic koneramine NNP ligand comprising strategic hard and soft donors: transition metal complexes, CS<sub>2</sub> activation and therapeutic potential.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17471","17478","10.1039/d5dt02106e","","","0.71073","MoKα","","0.0365","0.0287","","","0.0652","0.0723","","","","","","1.0767","","","","has coordinates","304105","2025-12-07","04:59:04",""
"7719875","15.946","0.002","22.473","0.003","20.544","0.003","90","","112.647","0.003","90","","6794.4","1.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H62 Cl7 Cu3 N6 P2 -","- C66 H60 Cl5 Cu3 N6 P2 -","- C264 H240 Cl20 Cu12 N24 P8 -","4","1","","Yadav, Archana; Dewan, Sayari; Chaudhary, Kajal; Butcher, Ray J.; Singh, Ritika Gautam; Angamuthu, Raja","Hemiparetic koneramine NNP ligand comprising strategic hard and soft donors: transition metal complexes, CS<sub>2</sub> activation and therapeutic potential.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17471","17478","10.1039/d5dt02106e","","","0.71073","MoKα","","0.0869","0.052","","","0.1415","0.1769","","","","","","1.1421","","","","has coordinates","304105","2025-12-07","04:59:04",""
"7719876","13.501","0.001","15.611","0.0011","25.256","0.002","101.962","0.003","103.969","0.002","98.689","0.002","4938.8","0.6","273.15","","273.15","","","","","","","","","8","P -1","-P 1","2","","13junb","","- C106 H98 B2 Cl8 Cu2 F8 N6 P4 -","- C102 H90 B2 Cu2 F8 N6 P4 -","- C204 H180 B4 Cu4 F16 N12 P8 -","2","1","","Yadav, Archana; Dewan, Sayari; Chaudhary, Kajal; Butcher, Ray J.; Singh, Ritika Gautam; Angamuthu, Raja","Hemiparetic koneramine NNP ligand comprising strategic hard and soft donors: transition metal complexes, CS<sub>2</sub> activation and therapeutic potential.","Dalton transactions (Cambridge, England : 2003)","2025","54","47","17471","17478","10.1039/d5dt02106e","","","0.71073","MoKα","","0.0719","0.0468","","","0.1178","0.1371","","","","","","1.0758","","","","has coordinates","304105","2025-12-07","04:59:04",""
"7719877","11.6748","0.0001","13.0929","0.0001","20.6133","0.0001","90","","100.973","0.001","90","","3093.28","0.04","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 F6 Ir N7 O P -","- C32 H29 F6 Ir N7 O P -","- C128 H116 F24 Ir4 N28 O4 P4 -","4","1","","Dallerba, Elena; Cameron, Lee; Armstrong, Blake I.; Ellison, Gaewyn; Turner, Eva; Innes, Evelyn; Strickling, Georgia L.; Pangiarella, Joel Ethan; O'Conghaile, Peter; Nesbit, Michael; Moggach, Stephen A.; Raiteri, Paolo; Stagni, Stefano; Pearson, Emma; Hackett, Mark; Massi, Massimiliano","Methylated regioisomers of Re(I) and Ir(III) tetrazole complexes: photophysical properties and optical imaging of brain tissue","Dalton Transactions","2025","","","","","10.1039/D5DT01745A","","x-ray","1.54184","CuKα","","0.0226","0.0214","","","0.0542","0.055","","","","","","1.06","","","","has coordinates","303284","2025-11-13","00:05:42",""
"7719878","6.979","0.0001","10.4284","0.0001","11.2401","0.0001","89.499","0.001","89.701","0.001","72.362","0.001","779.563","0.016","102","3","102","3","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 Br N5 O3 Re -","- C14 H9 Br N5 O3 Re -","- C28 H18 Br2 N10 O6 Re2 -","2","1","","Dallerba, Elena; Cameron, Lee; Armstrong, Blake I.; Ellison, Gaewyn; Turner, Eva; Innes, Evelyn; Strickling, Georgia L.; Pangiarella, Joel Ethan; O'Conghaile, Peter; Nesbit, Michael; Moggach, Stephen A.; Raiteri, Paolo; Stagni, Stefano; Pearson, Emma; Hackett, Mark; Massi, Massimiliano","Methylated regioisomers of Re(I) and Ir(III) tetrazole complexes: photophysical properties and optical imaging of brain tissue","Dalton Transactions","2025","","","","","10.1039/D5DT01745A","","x-ray","1.54184","CuKα","","0.0205","0.0205","","","0.0524","0.0525","","","","","","1.156","","","","has coordinates","303284","2025-11-13","00:05:48",""
"7719879","6.87749","0.00003","11.42838","0.00006","19.41606","0.00009","90","","92.111","0.0004","90","","1525.04","0.013","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br N5 O3 Re -","- C14 H9 Br N5 O3 Re -","- C56 H36 Br4 N20 O12 Re4 -","4","1","","Dallerba, Elena; Cameron, Lee; Armstrong, Blake I.; Ellison, Gaewyn; Turner, Eva; Innes, Evelyn; Strickling, Georgia L.; Pangiarella, Joel Ethan; O'Conghaile, Peter; Nesbit, Michael; Moggach, Stephen A.; Raiteri, Paolo; Stagni, Stefano; Pearson, Emma; Hackett, Mark; Massi, Massimiliano","Methylated regioisomers of Re(I) and Ir(III) tetrazole complexes: photophysical properties and optical imaging of brain tissue","Dalton Transactions","2025","","","","","10.1039/D5DT01745A","","x-ray","1.54184","CuKα","","0.0206","0.0205","","","0.0526","0.0527","","","","","","1.15","","","","has coordinates","303284","2025-11-13","00:05:48",""
"7719880","6.5291","0.0001","8.4564","0.0002","13.0106","0.0002","85.728","0.001","75.699","0.001","76.019","0.001","675.38","0.02","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H7 Br N5 O3 Re -","- C10 H7 Br N5 O3 Re -","- C20 H14 Br2 N10 O6 Re2 -","2","1","","Dallerba, Elena; Cameron, Lee; Armstrong, Blake I.; Ellison, Gaewyn; Turner, Eva; Innes, Evelyn; Strickling, Georgia L.; Pangiarella, Joel Ethan; O'Conghaile, Peter; Nesbit, Michael; Moggach, Stephen A.; Raiteri, Paolo; Stagni, Stefano; Pearson, Emma; Hackett, Mark; Massi, Massimiliano","Methylated regioisomers of Re(I) and Ir(III) tetrazole complexes: photophysical properties and optical imaging of brain tissue","Dalton Transactions","2025","","","","","10.1039/D5DT01745A","","x-ray","1.54184","CuKα","","0.0281","0.0278","","","0.0724","0.0727","","","","","","1.144","","","","has coordinates","303284","2025-11-13","00:05:49",""
"7719881","6.92166","0.00004","11.90491","0.0001","16.62188","0.00011","90","","100.146","0.0006","90","","1348.25","0.017","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br N5 O3 Re -","- C10 H7 Br N5 O3 Re -","- C40 H28 Br4 N20 O12 Re4 -","4","1","","Dallerba, Elena; Cameron, Lee; Armstrong, Blake I.; Ellison, Gaewyn; Turner, Eva; Innes, Evelyn; Strickling, Georgia L.; Pangiarella, Joel Ethan; O'Conghaile, Peter; Nesbit, Michael; Moggach, Stephen A.; Raiteri, Paolo; Stagni, Stefano; Pearson, Emma; Hackett, Mark; Massi, Massimiliano","Methylated regioisomers of Re(I) and Ir(III) tetrazole complexes: photophysical properties and optical imaging of brain tissue","Dalton Transactions","2025","","","","","10.1039/D5DT01745A","","x-ray","1.54184","CuKα","","0.0271","0.027","","","0.0704","0.0705","","","","","","1.209","","","","has coordinates","303284","2025-11-13","00:05:49",""
"7719882","8.39052","0.00009","34.3744","0.0004","11.32559","0.00012","90","","109.577","0.0012","90","","3077.69","0.06","99.9","0.3","99.9","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 F6 Ir N7 P -","- C33 H25 F6 Ir N7 P -","- C132 H100 F24 Ir4 N28 P4 -","4","1","","Dallerba, Elena; Cameron, Lee; Armstrong, Blake I.; Ellison, Gaewyn; Turner, Eva; Innes, Evelyn; Strickling, Georgia L.; Pangiarella, Joel Ethan; O'Conghaile, Peter; Nesbit, Michael; Moggach, Stephen A.; Raiteri, Paolo; Stagni, Stefano; Pearson, Emma; Hackett, Mark; Massi, Massimiliano","Methylated regioisomers of Re(I) and Ir(III) tetrazole complexes: photophysical properties and optical imaging of brain tissue","Dalton Transactions","2025","","","","","10.1039/D5DT01745A","","x-ray","1.54184","CuKα","","0.0389","0.0384","","","0.0938","0.0941","","","","","","1.207","","","","has coordinates","303284","2025-11-13","00:05:50",""
"7719883","14.95004","0.00006","13.30076","0.00005","17.34384","0.00007","90","","111.421","0.0004","90","","3210.54","0.02","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 F6 Ir N7 O P -","- C32 H29 F6 Ir N7 O P -","- C128 H116 F24 Ir4 N28 O4 P4 -","4","1","","Dallerba, Elena; Cameron, Lee; Armstrong, Blake I.; Ellison, Gaewyn; Turner, Eva; Innes, Evelyn; Strickling, Georgia L.; Pangiarella, Joel Ethan; O'Conghaile, Peter; Nesbit, Michael; Moggach, Stephen A.; Raiteri, Paolo; Stagni, Stefano; Pearson, Emma; Hackett, Mark; Massi, Massimiliano","Methylated regioisomers of Re(I) and Ir(III) tetrazole complexes: photophysical properties and optical imaging of brain tissue","Dalton Transactions","2025","","","","","10.1039/D5DT01745A","","x-ray","1.54184","CuKα","","0.0392","0.0385","","","0.1023","0.1029","","","","","","1.039","","","","has coordinates,has disorder","303284","2025-11-13","00:05:51",""
"7719884","8.4879","0.0001","18.7654","0.0004","41.0127","0.0006","90","","93.815","0.001","90","","6517.98","0.19","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33.38 H25.75 Cl0.75 F6 Ir N7 P -","- C33 H25 F6 Ir N7 P -","- C264 H200 F48 Ir8 N56 P8 -","8","2","","Dallerba, Elena; Cameron, Lee; Armstrong, Blake I.; Ellison, Gaewyn; Turner, Eva; Innes, Evelyn; Strickling, Georgia L.; Pangiarella, Joel Ethan; O'Conghaile, Peter; Nesbit, Michael; Moggach, Stephen A.; Raiteri, Paolo; Stagni, Stefano; Pearson, Emma; Hackett, Mark; Massi, Massimiliano","Methylated regioisomers of Re(I) and Ir(III) tetrazole complexes: photophysical properties and optical imaging of brain tissue","Dalton Transactions","2025","","","","","10.1039/D5DT01745A","","x-ray","1.54184","CuKα","","0.0563","0.0514","","","0.1111","0.1134","","","","","","1.159","","","","has coordinates","303284","2025-11-13","00:05:51",""
"7719885","10.019","0.0003","17.8022","0.0006","24.8113","0.0007","90","","90","","90","","4425.3","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H59 In N2 O3 -","- C40 H59 In N2 O3 -","- C160 H236 In4 N8 O12 -","4","1","","Piyawongsiri, Thitirat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Indium alkoxide complexes supported by constrained Schiff-base ligands for the ring-opening (co)polymerization of cyclic esters","Dalton Transactions","2025","","","","","10.1039/D5DT02356D","","","1.54178","CuKα","","0.0729","0.0697","","","0.1734","0.1764","","","","","","1.053","","","","has coordinates,has disorder","303285","2025-11-13","00:06:56",""
"7719886","10.2934","0.0007","33.327","0.002","12.3176","0.0009","90","","105.651","0.003","90","","4068.9","0.5","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H65 In N2 O3 -","- C44 H65 In N2 O3 -","- C176 H260 In4 N8 O12 -","4","1","","Piyawongsiri, Thitirat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Indium alkoxide complexes supported by constrained Schiff-base ligands for the ring-opening (co)polymerization of cyclic esters","Dalton Transactions","2025","","","","","10.1039/D5DT02356D","","","0.71073","MoKα","","0.0273","0.0244","","","0.0509","0.053","","","","","","1.071","","","","has coordinates","303285","2025-11-13","00:06:57",""
"7719887","19.4446","0.0008","11.7245","0.0005","21.2867","0.0009","90","","115.098","0.001","90","","4394.7","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H71 In N2 O3 -","- C47 H71 In N2 O3 -","- C188 H284 In4 N8 O12 -","4","1","","Piyawongsiri, Thitirat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Indium alkoxide complexes supported by constrained Schiff-base ligands for the ring-opening (co)polymerization of cyclic esters","Dalton Transactions","2025","","","","","10.1039/D5DT02356D","","","1.54178","CuKα","","0.0188","0.0186","","","0.0509","0.051","","","","","","1.066","","","","has coordinates","303285","2025-11-13","00:06:57",""
"7719888","9.1879","0.0003","9.3337","0.0003","21.2534","0.0008","88.722","0.001","79.549","0.001","69.979","0.001","1682.51","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H35 La N10 O17 -","- C26 H35 La N10 O17 -","- C52 H70 La2 N20 O34 -","2","1","","Evsiunina, Mariia V.; Domnikov, Kirill S.; Matveev, Petr I.; Kalle, Paulina; Matazova, Ekaterina; Gerasimov, Mikhail A.; Lemport, Pavel S.; Sonin, Igor; Petrov, Vladimir G.; Kostikova, Galina V.; Ustynyuk, Yuri; Nenajdenko, Valentine","Morpholine-Derived Hydrophilic 1,10-phenanthroline-2,9-dicarboxamide for Americium–Lanthanide Separation in Phosphine Oxide Extraction Systems","Dalton Transactions","2025","","","","","10.1039/D5DT02131F","","","0.71073","MoKα","","0.0426","0.0362","","","0.0733","0.0757","","","","","","1.061","","","","has coordinates","303286","2025-11-13","00:07:41",""
"7719889","9.2372","0.0006","9.2714","0.0005","21.8651","0.0012","98.19","0.002","92.689","0.002","110.491","0.002","1726.71","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H37 Eu N10 O18 -","- C26 H37 Eu N10 O18 -","- C52 H74 Eu2 N20 O36 -","2","1","","Evsiunina, Mariia V.; Domnikov, Kirill S.; Matveev, Petr I.; Kalle, Paulina; Matazova, Ekaterina; Gerasimov, Mikhail A.; Lemport, Pavel S.; Sonin, Igor; Petrov, Vladimir G.; Kostikova, Galina V.; Ustynyuk, Yuri; Nenajdenko, Valentine","Morpholine-Derived Hydrophilic 1,10-phenanthroline-2,9-dicarboxamide for Americium–Lanthanide Separation in Phosphine Oxide Extraction Systems","Dalton Transactions","2025","","","","","10.1039/D5DT02131F","","","0.71073","MoKα","","0.0628","0.0591","","","0.135","0.1389","","","","","","1.156","","","","has coordinates,has disorder","303286","2025-11-13","00:07:42",""
"7719890","29.3427","0.0015","7.2948","0.0004","36.3733","0.0017","90","","91.742","0.002","90","","7782.1","0.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H44 Er N11 O24 -","- C26 H44 Er N11 O24 -","- C208 H352 Er8 N88 O192 -","8","1","","Evsiunina, Mariia V.; Domnikov, Kirill S.; Matveev, Petr I.; Kalle, Paulina; Matazova, Ekaterina; Gerasimov, Mikhail A.; Lemport, Pavel S.; Sonin, Igor; Petrov, Vladimir G.; Kostikova, Galina V.; Ustynyuk, Yuri; Nenajdenko, Valentine","Morpholine-Derived Hydrophilic 1,10-phenanthroline-2,9-dicarboxamide for Americium–Lanthanide Separation in Phosphine Oxide Extraction Systems","Dalton Transactions","2025","","","","","10.1039/D5DT02131F","","","0.71073","MoKα","","0.0536","0.0437","","","0.0775","0.0807","","","","","","1.073","","","","has coordinates","303286","2025-11-13","00:07:43",""
"7719891","8.4508","0.0017","10.752","0.002","25.078","0.005","82.7","0.03","84.77","0.03","85.8","0.03","2246.4","0.8","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H68 N4 Ni O3 -","- C46.5 H68 N4 Ni O3 -","- C93 H136 N8 Ni2 O6 -","2","1","","Wang, Guanqi; Philouze, Christian; Berthiol, Florian; Moreau, Yohann; Jarjayes, Olivier; Thomas, Fabrice","Defining the oxidation site in Cu(II) and Ni(II) Complexes of ligands combining amido, phenolato and pyridine donors","Dalton Transactions","2025","","","","","10.1039/D5DT02056E","","x-ray","0.71073","MoKα","","0.1108","0.0665","","","0.1205","0.1394","","","","","","1.164","","","","has coordinates,has disorder","303287","2025-11-13","00:09:03",""
"7719892","9.993","0.002","17.902","0.004","13.521","0.003","90","","106.93","0.03","90","","2314","0.9","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N3 Ni O2 -","- C27 H29 N3 Ni O2 -","- C108 H116 N12 Ni4 O8 -","4","1","","Wang, Guanqi; Philouze, Christian; Berthiol, Florian; Moreau, Yohann; Jarjayes, Olivier; Thomas, Fabrice","Defining the oxidation site in Cu(II) and Ni(II) Complexes of ligands combining amido, phenolato and pyridine donors","Dalton Transactions","2025","","","","","10.1039/D5DT02056E","","x-ray","0.71073","MoKα","","0.0436","0.0323","","","0.0785","0.0872","","","","","","1.109","","","","has coordinates","303287","2025-11-13","00:09:04",""
"7719893","18.085","0.004","8.0709","0.0016","32.821","0.007","90","","90","","90","","4790.6","1.8","200","","200","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H30.45 Cu N3 O2.72 -","- C27 H30.45 Cu N3 O2.725 -","- C216 H243.6 Cu8 N24 O21.8 -","8","1","","Wang, Guanqi; Philouze, Christian; Berthiol, Florian; Moreau, Yohann; Jarjayes, Olivier; Thomas, Fabrice","Defining the oxidation site in Cu(II) and Ni(II) Complexes of ligands combining amido, phenolato and pyridine donors","Dalton Transactions","2025","","","","","10.1039/D5DT02056E","","x-ray","0.71073","MoKα","","0.1183","0.0612","","","0.0938","0.1116","","","","","","1.127","","","","has coordinates","303287","2025-11-13","00:09:05",""
"7719894","17.993","0.004","8.1705","0.0016","32.71","0.007","90","","90","","90","","4808.8","1.8","216","","216","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H30.43 N3 Ni O2.71 -","- C27 H30.42 N3 Ni O2.71 -","- C216 H243.36 N24 Ni8 O21.68 -","8","1","","Wang, Guanqi; Philouze, Christian; Berthiol, Florian; Moreau, Yohann; Jarjayes, Olivier; Thomas, Fabrice","Defining the oxidation site in Cu(II) and Ni(II) Complexes of ligands combining amido, phenolato and pyridine donors","Dalton Transactions","2025","","","","","10.1039/D5DT02056E","","x-ray","0.71073","MoKα","","0.1438","0.0986","","","0.229","0.2532","","","","","","1.225","","","","has coordinates","303287","2025-11-13","00:09:05",""
"7719895","13.536","0.003","15.206","0.003","16.497","0.003","102.46","0.03","97.36","0.03","93.73","0.03","3273.2","1.2","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C60.75 H104.1 Cl3.5 Cu N5 O3.3 -","- C59 H100 Cu N5 O3 -","- C118 H200 Cu2 N10 O6 -","2","1","","Wang, Guanqi; Philouze, Christian; Berthiol, Florian; Moreau, Yohann; Jarjayes, Olivier; Thomas, Fabrice","Defining the oxidation site in Cu(II) and Ni(II) Complexes of ligands combining amido, phenolato and pyridine donors","Dalton Transactions","2025","","","","","10.1039/D5DT02056E","","x-ray","0.71073","MoKα","","0.1209","0.0767","","","0.1704","0.1972","","","","","","1.085","","","","has coordinates,has disorder","303287","2025-11-13","00:09:05",""
"7719896","9.918","0.002","18.126","0.004","13.54","0.003","90","","106.58","0.03","90","","2332.9","0.9","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Cu N3 O2 -","- C27 H29 Cu N3 O2 -","- C108 H116 Cu4 N12 O8 -","4","1","","Wang, Guanqi; Philouze, Christian; Berthiol, Florian; Moreau, Yohann; Jarjayes, Olivier; Thomas, Fabrice","Defining the oxidation site in Cu(II) and Ni(II) Complexes of ligands combining amido, phenolato and pyridine donors","Dalton Transactions","2025","","","","","10.1039/D5DT02056E","","x-ray","0.71073","MoKα","","0.0893","0.0656","","","0.1626","0.176","","","","","","1.207","","","","has coordinates","303287","2025-11-13","00:09:06",""
"7719897","20.9788","0.0017","4.9855","0.0003","20.724","0.0019","90","","98.868","0.007","90","","2141.6","0.3","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8.5 H12 N O4 Re -","- C8.5 H12 N O4 Re -","- C68 H96 N8 O32 Re8 -","8","1","","Ustynyuk, Yuri; Gloriozov, Igor P.; Sizova, Zoia; Zhokhova, Nelly; Leksina, Uliana; Fominykh, Anna; Matveev, Petr I.; Petrov, Vladimir G.; Tafeenko, Viktor; Gopin, Alexander; Nenajdenko, Valentine","Novel hydrophilic cationic receptors for binding pertechnetate anion in aqueous solutions. Quantum-chemical modeling, synthesis, structure and properties","Dalton Transactions","2025","","","","","10.1039/D5DT02176F","","","0.71073","MoKα","","0.0974","0.0337","","","0.0468","0.0549","","","","","","0.654","","","","has coordinates,has disorder","303379","2025-11-25","12:31:06",""
"7719898","12.7103","0.0005","12.843","0.0005","10.822","0.0004","90","","90.59","0.004","90","","1766.47","0.12","295","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O8 Re2 -","- C13 H16 N2 O8 Re2 -","- C52 H64 N8 O32 Re8 -","4","1","","Ustynyuk, Yuri; Gloriozov, Igor P.; Sizova, Zoia; Zhokhova, Nelly; Leksina, Uliana; Fominykh, Anna; Matveev, Petr I.; Petrov, Vladimir G.; Tafeenko, Viktor; Gopin, Alexander; Nenajdenko, Valentine","Novel hydrophilic cationic receptors for binding pertechnetate anion in aqueous solutions. Quantum-chemical modeling, synthesis, structure and properties","Dalton Transactions","2025","","","","","10.1039/D5DT02176F","","","0.71073","MoKα","","0.0585","0.0283","","","0.0445","0.048","","","","","","0.787","","","","has coordinates","303379","2025-11-25","12:31:09",""
"7719899","13.3261","0.0006","15.675","0.0008","16.9825","0.0007","108.791","0.004","92.255","0.004","107.496","0.003","3166.3","0.3","180","","180","","","","","","","","","8","P -1","-P 1","2","","","","- C66 H90 B Fe N7 Ni O2 S2 -","- C66 H90 B Fe N7 Ni O2 S2 -","- C132 H180 B2 Fe2 N14 Ni2 O4 S4 -","2","1","","Stephan, Vanessa; Zocher, Christian; Börner, Martin; Klose, Jennifer; Fuhrmann, Daniel; Kersting, Berthold","Mononuclear FeII and Heterobinuclear FeIINiII Thiolate Complexes Derived from a Compartmental Hexaazadithiophenolato Ligand: Synthesis, Structure and Properties","Dalton Transactions","2025","","","","","10.1039/D5DT02350E","","x-ray","0.71073","MoKα","","0.0697","0.0428","","","0.1003","0.109","","","","","","1.016","","","","has coordinates,has disorder","303381","2025-11-25","12:32:38",""
"7719900","14.1064","0.0003","17.0368","0.0004","19.4289","0.0004","90","","92.671","0.002","90","","4664.23","0.18","180","","180","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H69.99 Cl2 Fe N6 O9 S2 -","- C38.998 H69.9923 Cl2 Fe N6 O8.998 S2 -","- C155.992 H279.969 Cl8 Fe4 N24 O35.992 S8 -","4","1","","Stephan, Vanessa; Zocher, Christian; Börner, Martin; Klose, Jennifer; Fuhrmann, Daniel; Kersting, Berthold","Mononuclear FeII and Heterobinuclear FeIINiII Thiolate Complexes Derived from a Compartmental Hexaazadithiophenolato Ligand: Synthesis, Structure and Properties","Dalton Transactions","2025","","","","","10.1039/D5DT02350E","","x-ray","1.54186","CuKα","","0.0417","0.0364","","","0.0962","0.0996","","","","","","1.027","","","","has coordinates,has disorder","303381","2025-11-25","12:32:39",""
"7719901","14.193","0.004","15.635","0.005","27.301","0.007","90","","101.161","0.009","90","","5944","3","301","","301","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C180 H168 Cl24 Co12 N32 S16 -","- C180 H168 Cl24 Co12 N32 S16 -","- C180 H168 Cl24 Co12 N32 S16 -","1","0.25","","Guo, Shipeng; Liu, Yipei; Lin, Chenchen; Xie, Lingfeng; Yi, Xiaoyi; He, Piao","The electron-donating effect of methyl in pyridine-2-thiol cobalt complexes regulating electrocatalytic reduction of CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17078","17082","10.1039/d5dt01953b","","","0.71073","MoKα","","0.1617","0.1008","","","0.237","0.2838","","","","","","1.027","","","","has coordinates,has disorder","303382","2025-11-25","12:33:22",""
"7719902","10.8976","0.0013","12.9021","0.0016","13.4251","0.0017","90","","91.761","0.004","90","","1886.7","0.4","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Co N3 S3 -","- C18 H18 Co N3 S3 -","- C72 H72 Co4 N12 S12 -","4","1","","Guo, Shipeng; Liu, Yipei; Lin, Chenchen; Xie, Lingfeng; Yi, Xiaoyi; He, Piao","The electron-donating effect of methyl in pyridine-2-thiol cobalt complexes regulating electrocatalytic reduction of CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17078","17082","10.1039/d5dt01953b","","","0.71073","MoKα","","0.0362","0.0327","","","0.0835","0.0871","","","","","","1.074","","","","has coordinates","303382","2025-11-25","12:33:22",""
"7719903","13.3638","0.0006","16.0559","0.0008","11.222","0.0004","90","","113.44","0.002","90","","2209.18","0.17","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cl Co N4 S2 -","- C22 H20 Cl Co N4 S2 -","- C88 H80 Cl4 Co4 N16 S8 -","4","1","","Guo, Shipeng; Liu, Yipei; Lin, Chenchen; Xie, Lingfeng; Yi, Xiaoyi; He, Piao","The electron-donating effect of methyl in pyridine-2-thiol cobalt complexes regulating electrocatalytic reduction of CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17078","17082","10.1039/d5dt01953b","","","0.71073","MoKα","","0.0462","0.0341","","","0.0836","0.0967","","","","","","1.033","","","","has coordinates","303382","2025-11-25","12:33:22",""
"7719904","10.0388","0.0006","12.4521","0.0007","15.7988","0.0009","90","","106.002","0.002","90","","1898.39","0.19","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Co N3 S3 -","- C18 H18 Co N3 S3 -","- C72 H72 Co4 N12 S12 -","4","1","","Guo, Shipeng; Liu, Yipei; Lin, Chenchen; Xie, Lingfeng; Yi, Xiaoyi; He, Piao","The electron-donating effect of methyl in pyridine-2-thiol cobalt complexes regulating electrocatalytic reduction of CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17078","17082","10.1039/d5dt01953b","","","0.71073","MoKα","","0.0503","0.0356","","","0.0807","0.089","","","","","","1.038","","","","has coordinates","303382","2025-11-25","12:33:23",""
"7719905","14.1789","0.0018","20.933","0.003","14.908","0.002","90","","109.129","0.004","90","","4180.5","1","296","2","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H8 Bi2 N8 O16 -","- C24 H8 Bi1.99 N8 O16 -","- C96 H32 Bi7.96 N32 O64 -","4","1","","Huang, Tao; Wu, Hong; Qing, Ping; Wang, Xiaosen; Pan, Wei; Luo, Liqiong; Peng, Rufang; Jin, Bo","Green Bismuth Metal-Organic Framework Catalyzing RDX Combustion and Thermal Decomposition","Dalton Transactions","2025","","","","","10.1039/D5DT01939G","","","0.71073","MoKα","","0.0687","0.0653","","","0.1475","0.1488","","","","","","1.159","","","","has coordinates,has disorder","303383","2025-11-25","12:34:16",""
"7719906","11.8348","0.0009","12.1373","0.001","15.8828","0.0012","106.557","0.003","93.731","0.003","113.053","0.003","1971.4","0.3","300","2","300","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H39 Fe2 N3 O2 -","- C50 H39 Fe2 N3 O2 -","- C100 H78 Fe4 N6 O4 -","2","1","","Subiksha, Vengidusamy Srinivasan; Archana, P. P. Sanak; Palanisami, Nallasamy","Enhancement of second harmonic generation (SHG) in ferrocene appended T-shaped chromophores: Impact of cyanovinylene moiety with TICT effect and theoretical insights","Dalton Transactions","2025","","","","","10.1039/D5DT02127H","","","0.71073","MoKα","","0.1604","0.0674","","","0.1162","0.16","","","","","","1.1376","","","","has coordinates,has disorder","303384","2025-11-25","12:35:00",""
"7719907","8.742","0.0003","10.443","0.0003","10.8179","0.0003","112.921","0.001","92.834","0.001","96.655","0.001","898.65","0.05","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C23 H23 Cl4 Cu3 N7 O8 -","- C23 H23 Cl4 Cu3 N7 O8 -","- C23 H23 Cl4 Cu3 N7 O8 -","1","1","","Ali, Wajid; Anwar, Muhammad Usman; Bakhshi, Hamed; Jabbar, Abdul; Rawson, Jeremy Michael; Al-Harrasi, Ahmed; Pilkington, Melanie","Nickel and Copper Complexes of a New Multidentate Ligand: Synthesis, Characterization and Magneto-structural investigations","Dalton Transactions","2025","","","","","10.1039/D5DT02226F","","x-ray","0.71073","MoKα","","0.0796","0.0543","","","0.147","0.1818","","","","","","1.093","","","","has coordinates","303385","2025-11-25","12:36:07",""
"7719908","10.4249","0.0002","18.8449","0.0003","10.5394","0.0002","90","","91.66","0.001","90","","2069.66","0.06","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H40 Cl4 N7 Ni3 O19 -","- C23 H40 Cl4 N7 Ni3 O19 -","- C46 H80 Cl8 N14 Ni6 O38 -","2","1","","Ali, Wajid; Anwar, Muhammad Usman; Bakhshi, Hamed; Jabbar, Abdul; Rawson, Jeremy Michael; Al-Harrasi, Ahmed; Pilkington, Melanie","Nickel and Copper Complexes of a New Multidentate Ligand: Synthesis, Characterization and Magneto-structural investigations","Dalton Transactions","2025","","","","","10.1039/D5DT02226F","","","0.71073","MoKα","","0.0501","0.0427","","","0.1177","0.1274","","","","","","1.07","","","","has coordinates,has disorder","303385","2025-11-25","12:36:07",""
"7719909","10.4044","0.0003","11.0597","0.0003","17.9201","0.0005","88.134","0.001","82.284","0.001","88.519","0.001","2041.82","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H35 N11 Ni3 O25 -","- C23 H35 N11 Ni3 O25 -","- C46 H70 N22 Ni6 O50 -","2","1","","Ali, Wajid; Anwar, Muhammad Usman; Bakhshi, Hamed; Jabbar, Abdul; Rawson, Jeremy Michael; Al-Harrasi, Ahmed; Pilkington, Melanie","Nickel and Copper Complexes of a New Multidentate Ligand: Synthesis, Characterization and Magneto-structural investigations","Dalton Transactions","2025","","","","","10.1039/D5DT02226F","","x-ray","0.71073","MoKα","","0.0872","0.0607","","","0.1664","0.2051","","","","","","1.065","","","","has coordinates,has disorder","303385","2025-11-25","12:36:08",""
"7719910","11.1751","0.0002","13.0016","0.0003","14.9836","0.0003","93.752","0.001","110.705","0.001","111.255","0.001","1850.5","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Cl4 Cu3 N7 O22 -","- C23 H27 Cl4 Cu3 N7 O22 -","- C46 H54 Cl8 Cu6 N14 O44 -","2","1","","Ali, Wajid; Anwar, Muhammad Usman; Bakhshi, Hamed; Jabbar, Abdul; Rawson, Jeremy Michael; Al-Harrasi, Ahmed; Pilkington, Melanie","Nickel and Copper Complexes of a New Multidentate Ligand: Synthesis, Characterization and Magneto-structural investigations","Dalton Transactions","2025","","","","","10.1039/D5DT02226F","","x-ray","0.71073","MoKα","","0.0681","0.0511","","","0.1372","0.1568","","","","","","1.052","","","","has coordinates,has disorder","303385","2025-11-25","12:36:08",""
"7719911","10.301","0.0005","14.6962","0.0006","14.9722","0.0007","97.857","0.002","92.845","0.002","101.035","0.002","2197.08","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H33 Cl4 N7 Ni2 O32 -","- C23 H33 Cl4 N7 Ni2 O32 -","- C46 H66 Cl8 N14 Ni4 O64 -","2","1","","Ali, Wajid; Anwar, Muhammad Usman; Bakhshi, Hamed; Jabbar, Abdul; Rawson, Jeremy Michael; Al-Harrasi, Ahmed; Pilkington, Melanie","Nickel and Copper Complexes of a New Multidentate Ligand: Synthesis, Characterization and Magneto-structural investigations","Dalton Transactions","2025","","","","","10.1039/D5DT02226F","","","0.71076","MoKα","","0.1463","0.0762","","","0.1908","0.2567","","","","","","1.057","","","","has coordinates,has disorder","303385","2025-11-25","12:36:08",""
"7719912","8.7958","0.0002","23.0586","0.0004","24.1745","0.0005","90","","90","","90","","4903.04","0.17","100","0.1","100","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H29 F12 Fe N17 O9 S4 -","- C37 H29 F12 Fe N17 O9 S4 -","- C148 H116 F48 Fe4 N68 O36 S16 -","4","1","","Ying, Ting-Ting; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Magnetic-dielectric switching with wide hysteresis in an Fe(II) spin-crossover compound.","Dalton transactions (Cambridge, England : 2003)","2025","","","","","10.1039/d5dt02447a","","x-ray","1.54184","CuKα","","0.0795","0.0685","","","0.1788","0.1868","","","","","","1.028","","","","has coordinates,has disorder","303386","2025-11-25","12:36:42",""
"7719913","9.0052","0.0003","22.0866","0.0007","25.7311","0.0011","90","","90","","90","","5117.8","0.3","298.47","0.1","298.47","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H29 F12 Fe N17 O9 S4 -","- C37 H29 F12 Fe N17 O9 S4 -","- C148 H116 F48 Fe4 N68 O36 S16 -","4","1","","Ying, Ting-Ting; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Magnetic-dielectric switching with wide hysteresis in an Fe(II) spin-crossover compound.","Dalton transactions (Cambridge, England : 2003)","2025","","","","","10.1039/d5dt02447a","","x-ray","1.54184","CuKα","","0.1469","0.1191","","","0.3139","0.3394","","","","","","0.972","","","","has coordinates,has disorder","303386","2025-11-25","12:36:42",""
"7719914","26.2543","0.0003","26.2543","0.0003","113.8699","0.001","90","","90","","120","","67973.6","1.3","99.98","0.11","99.98","0.11","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C162 H153 Cl7 Cu20 N7 O12 P12 -","- C162 H153 Cl7 Cu20 N7 O12 P12 -","- C1944 H1836 Cl84 Cu240 N84 O144 P144 -","12","0.333333","","Ma, Meng-Xia; Zhou, Yi-Wu; Gui, Zi-Jian; Huang, Ting-Hong; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","High-nuclearity Cu hydride nanoclusters of Cu<sub>22</sub>H<sub>19</sub> and Cu<sub>20</sub>H<sub>13</sub> consolidated by an N-containing triphosphine ligand: synthesis, characterization and catalysis.","Dalton transactions (Cambridge, England : 2003)","2025","","","","","10.1039/d5dt02358k","","x-ray","1.54184","CuKα","","0.0766","0.0686","","","0.2185","0.2259","","","","","","1.069","","","","has coordinates","303387","2025-11-25","12:37:44",""
"7719915","23.1531","0.0002","29.1303","0.0003","36.0582","0.0003","74.06","0.001","74.549","0.001","81.862","0.001","22478","0.4","100","0.11","100","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C334 H321 Cl6 Cu44 N19 O24 P24 -","- C334 H321 Cl6 Cu44 N19 O24 P24 -","- C668 H642 Cl12 Cu88 N38 O48 P48 -","2","1","","Ma, Meng-Xia; Zhou, Yi-Wu; Gui, Zi-Jian; Huang, Ting-Hong; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","High-nuclearity Cu hydride nanoclusters of Cu<sub>22</sub>H<sub>19</sub> and Cu<sub>20</sub>H<sub>13</sub> consolidated by an N-containing triphosphine ligand: synthesis, characterization and catalysis.","Dalton transactions (Cambridge, England : 2003)","2025","","","","","10.1039/d5dt02358k","","x-ray","1.54184","CuKα","","0.0935","0.0817","","","0.2416","0.251","","","","","","1.076","","","","has coordinates","303387","2025-11-25","12:37:45",""
"7719916","6.5729","0.0003","17.5252","0.0007","9.6851","0.0004","90","","100.653","0.001","90","","1096.41","0.08","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Al2 B3 Ba3 Li O11 -","- Al2 B3 Ba3 Li O11 -","- Al8 B12 Ba12 Li4 O44 -","4","1","","Shang, Shuangyue; Liu, Fan; Kang, Lei; Wu, Tong; Huang, Tianhong; Liu, Lijuan; Wang, Xiaoyang","LiBa<sub>3</sub>Al<sub>2</sub>B<sub>3</sub>O<sub>11</sub>: a deep-ultraviolet transparent optical borate featuring a 2D [Al<sub>2</sub>B<sub>3</sub>O<sub>11</sub>]<sub>∞</sub> layered structure.","Dalton transactions (Cambridge, England : 2003)","2025","","","","","10.1039/d5dt02373d","","","0.71073","MoKα","","0.0665","0.0411","","","0.0643","0.0732","","","","","","1.078","","","","has coordinates","303389","2025-11-25","12:38:23",""
"7719917","9.4864","0.0004","12.265","0.0005","9.6557","0.0005","90","","117.746","0.001","90","","994.27","0.08","293.15","","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","C20H20Cl2CuP","","- C20 H20 Cl2 Cu P -","- C20 H20 Cl2 Cu P -","- C40 H40 Cl4 Cu2 P2 -","2","1","","Sang, Mengjie; Liu, Yanqing; Liu, Guokui; Dang, Yangyang","Oxidation-induced irreversible phase transformation of ethyltriphenylphosphonium-based copper chloride single crystals for achieving second harmonic generation and magnetism","Dalton Transactions","2025","","","","","10.1039/D5DT02573G","","","0.71073","MoKα","","0.0742","0.0347","","","0.0531","0.0606","","","","","","1.006","","","","has coordinates","303390","2025-11-25","12:39:40",""
"7719918","12.4981","0.0008","15.9011","0.0008","21.2416","0.0012","90","","90.231","0.002","90","","4221.4","0.4","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","C20H20Cl3CuP","","- C20 H20 Cl3 Cu P -","- C20 H20 Cl3 Cu P -","- C160 H160 Cl24 Cu8 P8 -","8","1","","Sang, Mengjie; Liu, Yanqing; Liu, Guokui; Dang, Yangyang","Oxidation-induced irreversible phase transformation of ethyltriphenylphosphonium-based copper chloride single crystals for achieving second harmonic generation and magnetism","Dalton Transactions","2025","","","","","10.1039/D5DT02573G","","","0.71073","MoKα","","0.0648","0.0366","","","0.0847","0.0971","","","","","","1.031","","","","has coordinates","303390","2025-11-25","12:39:42",""
"7719919","8.85701","0.00006","8.85701","0.00006","7.55059","0.00004","90","","90","","120","","512.963","0.006","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","ZnBP-1","","","- C2 H O3 P Zn0.61 -","- C2 H O3 P Zn0.606 -","- C12 H6 O18 P6 Zn3.636 -","6","0.5","","Iio, Kosuke; Ishii, Syunya; Yamaguchi, Junya; Yamaguchi, Mayu; Yamashita, Haruka; Irie, Akira; Hatasawa, Haruna; Morita, Masashi; Kondo, Atsushi; Kitamura, Naoto; Saito, Morihiro; Maeda, Kazuyuki","Isomorphous metal 1,3,5-benzenetriphosphonates MBP-1 with variable compositions: preparation, crystal structure, and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2025","","","","","10.1039/d5dt00773a","powder diffraction","","0.7996","synchrotron","","0.03651","","","","","","0.03651","0.05609","2.0726","","","","","","","has coordinates","303423","2025-11-26","00:01:08",""
"7719920","8.9818","0.0003","8.9818","0.0003","7.695","0.0003","90","","90","","120","","537.61","0.03","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","MnBP-1_4.5eq","MnBP-1_prepared_with_4.5eq_LiOH","","- C2 H Mn0.667 O3 P -","- C2 H Mn0.666667 O3 P -","- C12 H6 Mn4 O18 P6 -","6","0.5","","Iio, Kosuke; Ishii, Syunya; Yamaguchi, Junya; Yamaguchi, Mayu; Yamashita, Haruka; Irie, Akira; Hatasawa, Haruna; Morita, Masashi; Kondo, Atsushi; Kitamura, Naoto; Saito, Morihiro; Maeda, Kazuyuki","Isomorphous metal 1,3,5-benzenetriphosphonates MBP-1 with variable compositions: preparation, crystal structure, and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2025","","","","","10.1039/d5dt00773a","powder diffraction","","0.80044","synchrotron","","0.00988","","","","","","0.01001","0.01962","3.6036","","","","","","","has coordinates","303423","2025-11-26","00:01:10",""
"7719921","9.1222","0.0001","9.1222","0.0001","7.84046","0.00009","90","","90","","120","","565.03","0.011","300","","300","","","","","","","","","4","P 63/m","-P 6c","176","CdBP-1","","","- C2 Cd0.65 O3 P -","- C2 Cd0.651333 O3 P -","- C12 Cd3.908 O18 P6 -","6","0.5","","Iio, Kosuke; Ishii, Syunya; Yamaguchi, Junya; Yamaguchi, Mayu; Yamashita, Haruka; Irie, Akira; Hatasawa, Haruna; Morita, Masashi; Kondo, Atsushi; Kitamura, Naoto; Saito, Morihiro; Maeda, Kazuyuki","Isomorphous metal 1,3,5-benzenetriphosphonates MBP-1 with variable compositions: preparation, crystal structure, and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2025","","","","","10.1039/d5dt00773a","powder diffraction","","0.7996","synchrotron","","0.02828","","","","","","0.02819","0.04214","3.094","","","","","","","has coordinates","303423","2025-11-26","00:01:10",""
"7719922","8.98133","0.00008","8.98133","0.00008","7.72133","0.00007","90","","90","","120","","539.391","0.008","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","MnBP-1","","","- C2 H Mn0.54 O3 P -","- C2 H Mn0.543333 O3 P -","- C12 H6 Mn3.26 O18 P6 -","6","0.5","","Iio, Kosuke; Ishii, Syunya; Yamaguchi, Junya; Yamaguchi, Mayu; Yamashita, Haruka; Irie, Akira; Hatasawa, Haruna; Morita, Masashi; Kondo, Atsushi; Kitamura, Naoto; Saito, Morihiro; Maeda, Kazuyuki","Isomorphous metal 1,3,5-benzenetriphosphonates MBP-1 with variable compositions: preparation, crystal structure, and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2025","","","","","10.1039/d5dt00773a","powder diffraction","","0.7998","synchrotron","","0.0321","","","","","","0.03213","0.05796","2.9057","","","","","","","has coordinates","303423","2025-11-26","00:01:10",""
"7719923","15.9755","0.0005","10.8717","0.0003","8.7804","0.0003","90","","97.208","0.003","90","","1512.94","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 N2 O8 Pb -","- C14 H8 N2 O8 Pb -","- C56 H32 N8 O32 Pb4 -","4","0.5","","Khan, Mohammad Yasir; Husain, Ahmad; Alqarni, Sara A.; Zeeshan, Mohd; Alarifi, Abdullah; Li, Xiang; Shahid, M.","Enhanced pseudocapacitive performance of a Pb-based MOF/FCNT composite for high-stability supercapacitor applications: a step ahead towards energy storage.","Dalton transactions (Cambridge, England : 2003)","2025","","","","","10.1039/d5dt02586a","","","0.71073","MoKα","","0.0373","0.0291","","","0.0725","0.0777","","","","","","1.0271","","","","has coordinates","303424","2025-11-26","00:01:46",""
"7719924","13.0696","0.0003","12.6327","0.0003","23.2937","0.0006","90","","105.837","0.003","90","","3699.91","0.16","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 Br4 N2 O2 -","- C38 H40 Br4 N2 O2 -","- C152 H160 Br16 N8 O8 -","4","1","","Deshmukh, Gopal; Rana, Thakur Rochak Kumar; Yadav, Neha; Rajaraman, Gopalan; Murugavel, Ramaswamy","<i>C</i> <sub>2</sub>-Symmetric Ru(II) bimetallic complex catalysed selective degradation and value addition of azo dyes.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15235","15258","10.1039/d5dt01813g","","x-ray","0.71073","MoKα","","0.0635","0.0531","","","0.1356","0.1438","","","","","","1.024","","","","has coordinates","303454","2025-11-27","21:00:47",""
"7719925","22.3789","0.0006","14.2353","0.0005","23.7773","0.0007","90","","90","","90","","7574.7","0.4","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H48 N2 O2 -","- C46 H48 N2 O2 -","- C368 H384 N16 O16 -","8","1","","Deshmukh, Gopal; Rana, Thakur Rochak Kumar; Yadav, Neha; Rajaraman, Gopalan; Murugavel, Ramaswamy","<i>C</i> <sub>2</sub>-Symmetric Ru(II) bimetallic complex catalysed selective degradation and value addition of azo dyes.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15235","15258","10.1039/d5dt01813g","","x-ray","0.71073","MoKα","","0.0749","0.0529","","","0.1319","0.1503","","","","","","1.034","","","","has coordinates,has disorder","303454","2025-11-27","21:00:48",""
"7719926","14.8065","0.0009","23.8709","0.0014","21.0121","0.0012","90","","105.952","0.002","90","","7140.6","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H66 Br4 Cl2 N2 O2 Ru2 -","- C58 H66 Br4 Cl2 N2 O2 Ru2 -","- C232 H264 Br16 Cl8 N8 O8 Ru8 -","4","1","","Deshmukh, Gopal; Rana, Thakur Rochak Kumar; Yadav, Neha; Rajaraman, Gopalan; Murugavel, Ramaswamy","<i>C</i> <sub>2</sub>-Symmetric Ru(II) bimetallic complex catalysed selective degradation and value addition of azo dyes.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15235","15258","10.1039/d5dt01813g","","","0.71073","MoKα","","0.0463","0.0378","","","0.09","0.0938","","","","","","1.019","","","","has coordinates","303454","2025-11-27","21:00:48",""
"7719927","17.0196","0.0003","19.8132","0.0003","24.9061","0.0005","85.753","0.001","72.879","0.002","83.821","0.001","7971.9","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C66 H74 Cl2 N2 O2 Ru2 -","- C66 H74 Cl2 N2 O2 Ru2 -","- C264 H296 Cl8 N8 O8 Ru8 -","4","2","","Deshmukh, Gopal; Rana, Thakur Rochak Kumar; Yadav, Neha; Rajaraman, Gopalan; Murugavel, Ramaswamy","<i>C</i> <sub>2</sub>-Symmetric Ru(II) bimetallic complex catalysed selective degradation and value addition of azo dyes.","Dalton transactions (Cambridge, England : 2003)","2025","54","40","15235","15258","10.1039/d5dt01813g","","x-ray","0.71073","MoKα","","0.07","0.0606","","","0.1325","0.1368","","","","","","1.06","","","","has coordinates","303454","2025-11-27","21:00:48",""
"7719928","10.865","0.002","10.865","0.002","58.926","0.018","90","","90","","120","","6024","2","273.15","","273.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C38 H36 Br4 P2 Zn -","- C38 H35.9994 Br4 P2 Zn -","- C228 H215.996 Br24 P12 Zn6 -","6","0.166667","","Wu, Yu-Fang; Li, Ya-Hui; Sui, Zhi-Meng; Wei, Yu-Kun; Wei, Rui-Han; Chen, Xiao; Yang, Xiao-Hua; Chen, Zhi-Wei; Jing, Zhihong; Yue, Cheng-Yang","A Cu±Doped Zinc Organic Halide with Temperature-Dependent Dual-color Emission as Thermochromic Molecular Thermometer","Dalton Transactions","2025","","","","","10.1039/D5DT02474A","","","0.71073","MoKα","","0.0797","0.0537","","","0.1524","0.1702","","","","","","1.137","","","","has coordinates,has disorder","303977","2025-11-29","23:50:07",""
"7719929","8.3439","0.0014","15.119","0.003","16.364","0.003","90","","101.227","0.006","90","","2024.8","0.6","287","2","287","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 B N O2 Ru Se -","- C19 H25 B N O2 Ru Se -","- C76 H100 B4 N4 O8 Ru4 Se4 -","4","1","","Gayen, Sourav; Satapathi, Snigdha; Patel, Deepak Kumar; Ghosh, Sundargopal","Hydroboration via metal-bound σ(B–H) bonds in Ru-(σ-borate) complexes: a pathway to η4-HBCC-σ,π-borataallyl complexes","Dalton Transactions","2025","","","","","10.1039/D5DT02484F","","","0.71073","MoKα","","0.0635","0.0479","","","0.1314","0.1409","","","","","","1.077","","","","has coordinates,has disorder","303992","2025-12-02","00:06:27",""
"7719930","7.7479","0.0011","34.145","0.006","12.028","0.003","90","","105.05","0.004","90","","3072.9","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N6 Ru2 S6 -","- C30 H24 N6 Ru2 S6 -","- C120 H96 N24 Ru8 S24 -","4","1","","Gayen, Sourav; Satapathi, Snigdha; Patel, Deepak Kumar; Ghosh, Sundargopal","Hydroboration via metal-bound σ(B–H) bonds in Ru-(σ-borate) complexes: a pathway to η4-HBCC-σ,π-borataallyl complexes","Dalton Transactions","2025","","","","","10.1039/D5DT02484F","","","0.71073","MoKα","","0.1465","0.0829","","","0.1561","0.1996","","","","","","1.035","","","","has coordinates","303992","2025-12-02","00:06:28",""
"7719931","7.0318","0.0002","26.1017","0.0007","14.572","0.0003","90","","90.176","0.001","90","","2674.56","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 B2 N2 Ru S2 -","- C24 H24 B2 N2 Ru S2 -","- C96 H96 B8 N8 Ru4 S8 -","4","1","","Gayen, Sourav; Satapathi, Snigdha; Patel, Deepak Kumar; Ghosh, Sundargopal","Hydroboration via metal-bound σ(B–H) bonds in Ru-(σ-borate) complexes: a pathway to η4-HBCC-σ,π-borataallyl complexes","Dalton Transactions","2025","","","","","10.1039/D5DT02484F","","","0.71073","MoKα","","0.0372","0.0304","","","0.0699","0.0727","","","","","","0.988","","","","has coordinates","303992","2025-12-02","00:06:28",""
"7719932","10.847","0.002","13.888","0.004","15.322","0.004","90","","90","","90","","2308.2","1","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 B2 N3 O2 Ru S3 -","- C19 H21 B2 N3 O2 Ru S3 -","- C76 H84 B8 N12 O8 Ru4 S12 -","4","1","","Gayen, Sourav; Satapathi, Snigdha; Patel, Deepak Kumar; Ghosh, Sundargopal","Hydroboration via metal-bound σ(B–H) bonds in Ru-(σ-borate) complexes: a pathway to η4-HBCC-σ,π-borataallyl complexes","Dalton Transactions","2025","","","","","10.1039/D5DT02484F","","","0.71073","MoKα","","0.0696","0.0449","","","0.0816","0.0939","","","","","","1.023","","","","has coordinates","303992","2025-12-02","00:06:28",""
"7719933","18.368","0.004","10.002","0.002","33.554","0.008","90","","104.274","0.006","90","","5974","2","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C27 H33 B2 N2 P Ru S2 Si -","- C27 H33 B2 N2 P Ru S2 Si -","- C216 H264 B16 N16 P8 Ru8 S16 Si8 -","8","1","","Gayen, Sourav; Satapathi, Snigdha; Patel, Deepak Kumar; Ghosh, Sundargopal","Hydroboration via metal-bound σ(B–H) bonds in Ru-(σ-borate) complexes: a pathway to η4-HBCC-σ,π-borataallyl complexes","Dalton Transactions","2025","","","","","10.1039/D5DT02484F","","","0.71073","MoKα","","0.165","0.1153","","","0.2454","0.271","","","","","","1.058","","","","has coordinates,has disorder","303992","2025-12-02","00:06:28",""
"7719934","10.65","0.0003","13.4534","0.0003","16.6691","0.0004","87.9601","0.0019","89.0965","0.0018","67.789","0.002","2209.7","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl5 Mo N2 O2 -","- C18 H20 Cl5 Mo N2 O2 -","- C72 H80 Cl20 Mo4 N8 O8 -","4","2","","Wang, Chao; Wang, Junlin; Cai, Xiangfeng; Wang, Zhihui","Near-Infrared Luminescence of a Novel Zero-Dimensional Organic-Inorganic Hybrid Molybdenum-Based Perovskite","Dalton Transactions","2025","","","","","10.1039/D5DT02462E","","","1.54184","CuKα","","0.0616","0.0574","","","0.1684","0.1725","","","","","","0.893","","","","has coordinates","303993","2025-12-02","00:06:59",""
"7719935","10.6862","0.0005","12.9519","0.0006","21.0983","0.001","90","","90","","90","","2920.1","0.2","294.15","","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H18 F10 N6 P Rh -","- C28 H18 F10 N6 P Rh -","- C112 H72 F40 N24 P4 Rh4 -","4","1","","Wójcik, Patryk; Latouche, Camille; Kamecka, Anna; Suwinska, Kinga; Masternak, Joanna; Urbaniak, Mariusz","Fluorine-Substituted Cyclometallated Rhodium(III) Complexes with α-Diimine Ancillary Ligands: Synthesis, Structure, Photophysical and DNA-Binding Properties","Dalton Transactions","2025","","","","","10.1039/D5DT02369F","","","0.71073","MoKα","","0.0625","0.0394","","","0.0854","0.103","","","","","","1.141","","","","has coordinates","304006","2025-12-03","00:13:13",""
"7719936","11.5873","0.0012","22.31","0.002","17.2463","0.0018","90","","96.587","0.003","90","","4429","0.8","298.15","","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H31 Cl F10 N6 P Rh -","- C48 H31 Cl F10 N6 P Rh -","- C192 H124 Cl4 F40 N24 P4 Rh4 -","4","1","","Wójcik, Patryk; Latouche, Camille; Kamecka, Anna; Suwinska, Kinga; Masternak, Joanna; Urbaniak, Mariusz","Fluorine-Substituted Cyclometallated Rhodium(III) Complexes with α-Diimine Ancillary Ligands: Synthesis, Structure, Photophysical and DNA-Binding Properties","Dalton Transactions","2025","","","","","10.1039/D5DT02369F","","","0.71073","MoKα","","0.0747","0.0422","","","0.0916","0.118","","","","","","1.159","","","","has coordinates","304006","2025-12-03","00:13:15",""
"7719937","31.97","0.0003","31.97","0.0003","13.8402","0.0002","90","","90","","90","","14145.8","0.3","300.15","","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H20 F10 N8 P Rh -","- C36 H20 F10 N8 P Rh -","- C576 H320 F160 N128 P16 Rh16 -","16","1","","Wójcik, Patryk; Latouche, Camille; Kamecka, Anna; Suwinska, Kinga; Masternak, Joanna; Urbaniak, Mariusz","Fluorine-Substituted Cyclometallated Rhodium(III) Complexes with α-Diimine Ancillary Ligands: Synthesis, Structure, Photophysical and DNA-Binding Properties","Dalton Transactions","2025","","","","","10.1039/D5DT02369F","","","1.54178","CuKα","","0.0667","0.0512","","","0.1226","0.1381","","","","","","1.044","","","","has coordinates","304006","2025-12-03","00:13:15",""
"7719938","29.0117","0.0015","29.0117","0.0015","15.1836","0.0012","90","","90","","90","","12779.7","1.4","295.15","","298","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H18 F10 N8 P Rh -","- C32 H18 F10 N8 P Rh -","- C512 H288 F160 N128 P16 Rh16 -","16","1","","Wójcik, Patryk; Latouche, Camille; Kamecka, Anna; Suwinska, Kinga; Masternak, Joanna; Urbaniak, Mariusz","Fluorine-Substituted Cyclometallated Rhodium(III) Complexes with α-Diimine Ancillary Ligands: Synthesis, Structure, Photophysical and DNA-Binding Properties","Dalton Transactions","2025","","","","","10.1039/D5DT02369F","","","0.71073","MoKα","","0.0733","0.0446","","","0.0966","0.1252","","","","","","1.182","","","","has coordinates","304006","2025-12-03","00:13:16",""
"7719939","17.665","0.008","12.886","0.006","29.875","0.014","90","","105.818","0.014","90","","6543","5","297","2","297","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30.25 H18.5 Cl0.5 F10 N6 P Rh -","- C30.25 H18.5 Cl0.5 F10 N6 P Rh -","- C242 H148 Cl4 F80 N48 P8 Rh8 -","8","2","","Wójcik, Patryk; Latouche, Camille; Kamecka, Anna; Suwinska, Kinga; Masternak, Joanna; Urbaniak, Mariusz","Fluorine-Substituted Cyclometallated Rhodium(III) Complexes with α-Diimine Ancillary Ligands: Synthesis, Structure, Photophysical and DNA-Binding Properties","Dalton Transactions","2025","","","","","10.1039/D5DT02369F","","","0.71073","MoKα","","0.0795","0.0475","","","0.1218","0.1548","","","","","","1.156","","","","has coordinates","304006","2025-12-03","00:13:18",""
"7719940","31.071","0.003","31.071","0.003","15.191","0.002","90","","90","","90","","14665","3","90","2","90","2","","","","","","","","7","I -4","I -4","82","","","","- C40 H60 Ir4 K23 O156 Si4 W40 -","- C40 H60 Ir4 K23 O156 Si4 W40 -","- C80 H120 Ir8 K46 O312 Si8 W80 -","2","0.25","","Sugiarto, Sugiarto; Shinogi, Jun; Ebied, Sherif E.; Hong, Dachao; Kon, Yoshihiro; Sadakane, Masahiro","Reaction of a Cp*Ir(III) Cation with mono-and di-lacunary Keggintype heterpolytungstates, and dimer of hexa-lacunary Dawsontype phosphopolytungstate","Dalton Transactions","2025","","","","","10.1039/D5DT02418H","","","0.71073","MoKα","","0.0718","0.0498","","","0.1226","0.1343","","","","","","1.025","","","","has coordinates,has disorder","304007","2025-12-03","00:14:54",""
"7719941","22.3953","0.0016","11.5329","0.0008","27.827","0.002","90","","104.913","0.001","90","","6945.2","0.9","123","2","123","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C20 Cl Ir2 K5 O52.6 Si W11 -","- C20 Cl Ir2 K5 O52.6 Si W11 -","- C80 Cl4 Ir8 K20 O210.4 Si4 W44 -","4","0.5","","Sugiarto, Sugiarto; Shinogi, Jun; Ebied, Sherif E.; Hong, Dachao; Kon, Yoshihiro; Sadakane, Masahiro","Reaction of a Cp*Ir(III) Cation with mono-and di-lacunary Keggintype heterpolytungstates, and dimer of hexa-lacunary Dawsontype phosphopolytungstate","Dalton Transactions","2025","","","","","10.1039/D5DT02418H","","","0.71073","MoKα","","0.0722","0.0675","","","0.1405","0.1422","","","","","","1.257","","","","has coordinates,has disorder","304007","2025-12-03","00:14:55",""
"7719942","35.1781","0.0013","35.1781","0.0013","11.3965","0.0006","90","","90","","90","","14103.2","1","123","2","123","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C20 Cl Ir2 K3.4 O47.63 P W11 -","- C20 Cl Ir2 K3.4 O47.64 P W11 -","- C160 Cl8 Ir16 K27.2 O381.12 P8 W88 -","8","0.5","","Sugiarto, Sugiarto; Shinogi, Jun; Ebied, Sherif E.; Hong, Dachao; Kon, Yoshihiro; Sadakane, Masahiro","Reaction of a Cp*Ir(III) Cation with mono-and di-lacunary Keggintype heterpolytungstates, and dimer of hexa-lacunary Dawsontype phosphopolytungstate","Dalton Transactions","2025","","","","","10.1039/D5DT02418H","","","0.71073","MoKα","","0.0692","0.0519","","","0.1055","0.1119","","","","","","1.087","","","","has coordinates,has disorder","304007","2025-12-03","00:14:55",""
"7719943","17.5552","0.0016","22.843","0.002","23.043","0.002","65.373","0.001","67.697","0.001","85.608","0.001","7735","1.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H0 Ir4 K29.8 O257.31 P8 W48.62 -","- C40 Ir4 K29.8 O257.296 P8 W48.6166 -","- C40 Ir4 K29.8 O257.296 P8 W48.6166 -","1","0.5","","Sugiarto, Sugiarto; Shinogi, Jun; Ebied, Sherif E.; Hong, Dachao; Kon, Yoshihiro; Sadakane, Masahiro","Reaction of a Cp*Ir(III) Cation with mono-and di-lacunary Keggintype heterpolytungstates, and dimer of hexa-lacunary Dawsontype phosphopolytungstate","Dalton Transactions","2025","","","","","10.1039/D5DT02418H","","","0.71073","MoKα","","0.0453","0.0331","","","0.0788","0.0836","","","","","","1.028","","","","has coordinates,has disorder","304007","2025-12-03","00:14:55",""
"7719944","17.1103","0.0007","15.2774","0.0006","16.2613","0.0006","90","","110.321","0.001","90","","3986.2","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H62 Br2.66 N1.34 O6.02 P2 U -","- C28 H62 Br2.66 N1.34 O6.02 P2 U -","- C112 H248 Br10.64 N5.36 O24.08 P8 U4 -","4","1","","Fominykh, Anna; Gerasimov, Mikhail A.; Poliakova, Tatiana R.; Novichkov, Daniil; Kalle, Paulina; Averin, Alexey A.; Krot, Anna; Borisova, Nataliya E.; Matveev, Petr I.","Diphosphonium salts as effective extractants for the separation of uranium(VI) from nitric acid media","Dalton Transactions","2025","","","","","10.1039/D5DT02671G","","","0.71073","MoKα","","0.0575","0.0388","","","0.0799","0.0866","","","","","","1.027","","","","has coordinates,has disorder","304008","2025-12-03","00:15:43",""
"7719945","12.5385","0.0011","14.5329","0.001","20.9539","0.0015","90","","91.168","0.003","90","","3817.4","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H58 N4 O14 P2 U -","- C26 H58 N4 O14 P2 U -","- C104 H232 N16 O56 P8 U4 -","4","1","","Fominykh, Anna; Gerasimov, Mikhail A.; Poliakova, Tatiana R.; Novichkov, Daniil; Kalle, Paulina; Averin, Alexey A.; Krot, Anna; Borisova, Nataliya E.; Matveev, Petr I.","Diphosphonium salts as effective extractants for the separation of uranium(VI) from nitric acid media","Dalton Transactions","2025","","","","","10.1039/D5DT02671G","","","0.71073","MoKα","","0.078","0.047","","","0.0861","0.0986","","","","","","1.019","","","","has coordinates","304008","2025-12-03","00:15:44",""
"7719946","20.91","0.0016","19.5047","0.0016","23.23","0.002","90","","90","","90","","9474.2","1.3","295","2","295","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H24 Cu2 Mo18 N3 O62 -","- C6 H24 Cu2 Mo18 N3 O62 -","- C24 H96 Cu8 Mo72 N12 O248 -","4","0.5","","Pardiwala, Ankita; Pandey, Ravi Ranjan; Andola, Anshu; Pandey, Rakesh Kumar; Jangir, Ritambhara","Redox-Active Modification of Dawson-Type Copper Molybdate Cluster for Advanced Supercapacitor Applications","Dalton Transactions","2025","","","","","10.1039/D5DT02130H","","","0.71073","MoKα","","0.1324","0.103","","","0.2755","0.3117","","","","","","1.035","","","","has coordinates,has disorder","304009","2025-12-03","00:17:27",""
"7719947","15.2487","0.0007","22.7472","0.001","12.0738","0.0006","90","","90","","90","","4188","0.3","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H17 Cl N8 O4 -","- C20 H17 Cl N8 O4 -","- C160 H136 Cl8 N64 O32 -","8","1","","Juan, Jen-Wen; Ciou, Ji-Ming; Hsiang, Yi-Rong; Lin, Ya-Fan","Solvent-and metal-gated coordination diversity in a dynamic aminal ligand","Dalton Transactions","2025","","","","","10.1039/D5DT02405F","","","0.71073","MoKα","","0.0824","0.0492","","","0.0999","0.1186","","","","","","1.069","","","","has coordinates","304010","2025-12-03","00:19:01",""
"7719948","8.0349","0.0006","9.0023","0.0007","9.7416","0.0008","106.678","0.003","94.854","0.003","93.327","0.003","670.07","0.09","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl2 Cu N8 O10 -","- C20 H20 Cl2 Cu N8 O10 -","- C20 H20 Cl2 Cu N8 O10 -","1","0.5","","Juan, Jen-Wen; Ciou, Ji-Ming; Hsiang, Yi-Rong; Lin, Ya-Fan","Solvent-and metal-gated coordination diversity in a dynamic aminal ligand","Dalton Transactions","2025","","","","","10.1039/D5DT02405F","","","0.71073","MoKα","","0.0359","0.0345","","","0.0819","0.0829","","","","","","1.085","","","","has coordinates","304010","2025-12-03","00:19:02",""
"7719949","24.4927","0.0007","24.4927","0.0007","20.8894","0.0007","90","","90","","120","","10852.5","0.6","100","0.1","100","0.1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C60 H66 Co3 N25 O15 -","- C60 H66 Co3 N25 O15 -","- C360 H396 Co18 N150 O90 -","6","0.166667","","Juan, Jen-Wen; Ciou, Ji-Ming; Hsiang, Yi-Rong; Lin, Ya-Fan","Solvent-and metal-gated coordination diversity in a dynamic aminal ligand","Dalton Transactions","2025","","","","","10.1039/D5DT02405F","","x-ray","1.54184","CuKα","","0.0672","0.0638","","","0.1611","0.1632","","","","","","1.132","","","","has coordinates,has disorder","304010","2025-12-03","00:19:02",""
"7719950","8.4274","0.0003","9.5402","0.0003","15.1235","0.0006","72.323","0.002","86.796","0.002","78.31","0.002","1134.45","0.07","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Co N9 O5 -","- C20 H18 Co N9 O5 -","- C40 H36 Co2 N18 O10 -","2","1","","Juan, Jen-Wen; Ciou, Ji-Ming; Hsiang, Yi-Rong; Lin, Ya-Fan","Solvent-and metal-gated coordination diversity in a dynamic aminal ligand","Dalton Transactions","2025","","","","","10.1039/D5DT02405F","","","1.54178","CuKα","","0.0565","0.0525","","","0.1437","0.1468","","","","","","1.061","","","","has coordinates","304010","2025-12-03","00:19:02",""
"7719951","8.6366","0.0002","18.501","0.0003","14.1164","0.0003","90","","92.299","0.001","90","","2253.78","0.08","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl Co N8 O6 -","- C20 H18 Cl Co N8 O6 -","- C80 H72 Cl4 Co4 N32 O24 -","4","1","","Juan, Jen-Wen; Ciou, Ji-Ming; Hsiang, Yi-Rong; Lin, Ya-Fan","Solvent-and metal-gated coordination diversity in a dynamic aminal ligand","Dalton Transactions","2025","","","","","10.1039/D5DT02405F","","","0.71073","MoKα","","0.063","0.0499","","","0.1294","0.1473","","","","","","1.11","","","","has coordinates","304010","2025-12-03","00:19:03",""
"7719952","14.935","0.003","8.6856","0.0017","17.997","0.004","90","","90","","90","","2334.6","0.8","295","2","295","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H20 Cl Co N6 O6 -","- C22 H20 Cl Co N6 O6 -","- C88 H80 Cl4 Co4 N24 O24 -","4","1","","Juan, Jen-Wen; Ciou, Ji-Ming; Hsiang, Yi-Rong; Lin, Ya-Fan","Solvent-and metal-gated coordination diversity in a dynamic aminal ligand","Dalton Transactions","2025","","","","","10.1039/D5DT02405F","","","0.71073","MoKα","","0.1066","0.0828","","","0.2097","0.2302","","","","","","1.146","","","","has coordinates","304010","2025-12-03","00:19:04",""
"7719953","9.0344","0.0003","9.3458","0.0003","9.7176","0.0003","111.912","0.001","106.149","0.001","98.145","0.001","702.9","0.04","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl2 Co N8 O11 -","- C22 H26 Cl2 Co N8 O11 -","- C22 H26 Cl2 Co N8 O11 -","1","0.5","","Juan, Jen-Wen; Ciou, Ji-Ming; Hsiang, Yi-Rong; Lin, Ya-Fan","Solvent-and metal-gated coordination diversity in a dynamic aminal ligand","Dalton Transactions","2025","","","","","10.1039/D5DT02405F","","","1.54178","CuKα","","0.0435","0.0423","","","0.1161","0.1164","","","","","","1.095","","","","has coordinates","304010","2025-12-03","00:19:04",""
"7719954","12.0096","0.0002","18.7829","0.0003","12.7611","0.0002","90","","104.737","0.002","90","","2783.89","0.08","100.02","0.1","100.02","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl2 Cu N6 O10 -","- C24 H26 Cl2 Cu N6 O10 -","- C96 H104 Cl8 Cu4 N24 O40 -","4","1","","Juan, Jen-Wen; Ciou, Ji-Ming; Hsiang, Yi-Rong; Lin, Ya-Fan","Solvent-and metal-gated coordination diversity in a dynamic aminal ligand","Dalton Transactions","2025","","","","","10.1039/D5DT02405F","","x-ray","1.54184","CuKα","","0.0875","0.0866","","","0.1746","0.175","","","","","","1.221","","","","has coordinates,has disorder","304010","2025-12-03","00:19:04",""
"7719955","5.0897","0.0002","7.5229","0.0003","9.0809","0.0003","75.938","0.003","85.132","0.003","72.141","0.003","321.01","0.02","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cu N2 O6 -","- C12 H12 Cu N2 O6 -","- C12 H12 Cu N2 O6 -","1","0.5","","Juan, Jen-Wen; Ciou, Ji-Ming; Hsiang, Yi-Rong; Lin, Ya-Fan","Solvent-and metal-gated coordination diversity in a dynamic aminal ligand","Dalton Transactions","2025","","","","","10.1039/D5DT02405F","","x-ray","1.54184","CuKα","","0.0258","0.0258","","","0.0667","0.0668","","","","","","1.149","","","","has coordinates,has disorder","304010","2025-12-03","00:19:04",""
"7719956","12.4953","0.0002","18.2777","0.0003","12.5438","0.0002","90","","105.642","0.002","90","","2758.72","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl2 Cu N8 O10 -","- C22 H25 Cl2 Cu N8 O10 -","- C88 H100 Cl8 Cu4 N32 O40 -","4","1","","Juan, Jen-Wen; Ciou, Ji-Ming; Hsiang, Yi-Rong; Lin, Ya-Fan","Solvent-and metal-gated coordination diversity in a dynamic aminal ligand","Dalton Transactions","2025","","","","","10.1039/D5DT02405F","","x-ray","1.54184","CuKα","","0.0581","0.0541","","","0.1371","0.1399","","","","","","1.043","","","","has coordinates,has disorder","304010","2025-12-03","00:19:05",""
"7719957","13.266","0.003","15.857","0.003","20.048","0.004","90","","90","","90","","4217.3","1.5","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cl3 Co N12 O12 -","- C30 H24 Cl3 Co N12 O12 -","- C120 H96 Cl12 Co4 N48 O48 -","4","1","","Juan, Jen-Wen; Ciou, Ji-Ming; Hsiang, Yi-Rong; Lin, Ya-Fan","Solvent-and metal-gated coordination diversity in a dynamic aminal ligand","Dalton Transactions","2025","","","","","10.1039/D5DT02405F","","","0.71073","MoKα","","0.1114","0.0539","","","0.1323","0.1769","","","","","","1.132","","","","has coordinates","304010","2025-12-03","00:19:05",""
"7719958","8.2666","0.0008","14.8233","0.0014","15.873","0.0016","111.919","0.003","95.887","0.004","104.942","0.003","1700","0.3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H70 Br10 N10 O18 Re2 Tb2 -","- C40 H70 Br10 N10 O18 Re2 Tb2 -","- C40 H70 Br10 N10 O18 Re2 Tb2 -","1","0.5","","Ferrari-Argachá, Carolina; Valiero, Santiago; Rojas-Dotti, Carlos; Loaces, Aparicio; Chiozzone, Raúl; Moliner, Fernando Nicolás; Suescun, Leopoldo; Cano, Joan; Lloret, Francesc; Martínez-Lillo, José; González, Ricardo","Self-assembly of lanthanide-based Single-Ion Magnets (SIMs) into 1D networks via Re(IV)-based metalloligands","Dalton Transactions","2025","","","","","10.1039/D5DT01890K","","","0.71073","MoKα","","0.0422","0.0262","","","0.0467","0.0509","","","","","","1.023","","","","has coordinates,has disorder","304011","2025-12-03","00:20:46",""
"7719959","27.5898","0.001","18.1029","0.0007","17.3668","0.0006","90","","107.945","0.001","90","","8252","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.67 H39.67 Br3.33 N1.67 O3 Re0.67 -","- C20.6667 H39.6667 Br3.33333 N1.66667 O3 Re0.666667 -","- C248 H476 Br40 N20 O36 Re8 -","12","3","","Ferrari-Argachá, Carolina; Valiero, Santiago; Rojas-Dotti, Carlos; Loaces, Aparicio; Chiozzone, Raúl; Moliner, Fernando Nicolás; Suescun, Leopoldo; Cano, Joan; Lloret, Francesc; Martínez-Lillo, José; González, Ricardo","Self-assembly of lanthanide-based Single-Ion Magnets (SIMs) into 1D networks via Re(IV)-based metalloligands","Dalton Transactions","2025","","","","","10.1039/D5DT01890K","","","0.71073","MoKα","","0.0579","0.0374","","","0.0714","0.0801","","","","","","1.069","","","","has coordinates","304011","2025-12-03","00:20:48",""
"7719960","8.2309","0.0004","14.7812","0.0007","15.6635","0.0008","111.653","0.002","95.272","0.002","105.196","0.002","1671.04","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H34 Br5 Gd N5 O9 Re -","- C20 H34 Br5 Gd N5 O9 Re -","- C40 H68 Br10 Gd2 N10 O18 Re2 -","2","1","","Ferrari-Argachá, Carolina; Valiero, Santiago; Rojas-Dotti, Carlos; Loaces, Aparicio; Chiozzone, Raúl; Moliner, Fernando Nicolás; Suescun, Leopoldo; Cano, Joan; Lloret, Francesc; Martínez-Lillo, José; González, Ricardo","Self-assembly of lanthanide-based Single-Ion Magnets (SIMs) into 1D networks via Re(IV)-based metalloligands","Dalton Transactions","2025","","","","","10.1039/D5DT01890K","","","0.71073","MoKα","","0.0407","0.0252","","","0.0417","0.0451","","","","","","1.034","","","","has coordinates,has disorder","304011","2025-12-03","00:20:49",""
"7719961","18.4143","0.0007","35.6069","0.001","15.8737","0.0008","90","","113.926","0.005","90","","9513.6","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H97 Br10 N6 O11 Re2 Tb -","- C61 H97 Br10 N6 O11 Re2 Tb -","- C244 H388 Br40 N24 O44 Re8 Tb4 -","4","1","","Ferrari-Argachá, Carolina; Valiero, Santiago; Rojas-Dotti, Carlos; Loaces, Aparicio; Chiozzone, Raúl; Moliner, Fernando Nicolás; Suescun, Leopoldo; Cano, Joan; Lloret, Francesc; Martínez-Lillo, José; González, Ricardo","Self-assembly of lanthanide-based Single-Ion Magnets (SIMs) into 1D networks via Re(IV)-based metalloligands","Dalton Transactions","2025","","","","","10.1039/D5DT01890K","","","0.71073","MoKα","","0.0886","0.0664","","","0.1145","0.122","","","","","","1.086","","","","has coordinates,has disorder","304011","2025-12-03","00:20:49",""
"7719962","8.2713","0.0004","14.8567","0.0008","15.9073","0.0011","111.967","0.002","95.813","0.002","104.973","0.002","1708.02","0.18","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H35 Br5 Dy N5 O9 Re -","- C20 H35 Br5 Dy N5 O9 Re -","- C40 H70 Br10 Dy2 N10 O18 Re2 -","2","1","","Ferrari-Argachá, Carolina; Valiero, Santiago; Rojas-Dotti, Carlos; Loaces, Aparicio; Chiozzone, Raúl; Moliner, Fernando Nicolás; Suescun, Leopoldo; Cano, Joan; Lloret, Francesc; Martínez-Lillo, José; González, Ricardo","Self-assembly of lanthanide-based Single-Ion Magnets (SIMs) into 1D networks via Re(IV)-based metalloligands","Dalton Transactions","2025","","","","","10.1039/D5DT01890K","","","0.71073","MoKα","","0.0421","0.0263","","","0.0502","0.0546","","","","","","1.022","","","","has coordinates,has disorder","304011","2025-12-03","00:20:49",""
"7719963","18.4013","0.0008","35.5993","0.001","15.7948","0.0008","90","","113.833","0.006","90","","9464.5","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H97 Br10 Dy N6 O11 Re2 -","- C61 H97 Br10 Dy N6 O11 Re2 -","- C244 H388 Br40 Dy4 N24 O44 Re8 -","4","1","","Ferrari-Argachá, Carolina; Valiero, Santiago; Rojas-Dotti, Carlos; Loaces, Aparicio; Chiozzone, Raúl; Moliner, Fernando Nicolás; Suescun, Leopoldo; Cano, Joan; Lloret, Francesc; Martínez-Lillo, José; González, Ricardo","Self-assembly of lanthanide-based Single-Ion Magnets (SIMs) into 1D networks via Re(IV)-based metalloligands","Dalton Transactions","2025","","","","","10.1039/D5DT01890K","","","0.71073","MoKα","","0.1021","0.0696","","","0.1244","0.1361","","","","","","1.071","","","","has coordinates,has disorder","304011","2025-12-03","00:20:49",""
"7719971","23.908","0.003","16.4721","0.0015","30.381","0.003","90","","108.818","0.004","90","","11325","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57.7 H50.4 Cl4.4 Ir N7 O4 -","- C56.7 H49.4 Cl2.4 Ir N7 O4 -","- C453.6 H395.2 Cl19.2 Ir8 N56 O32 -","8","1","","Fernández-Moreira, Vanesa; Morales-Pioz, Eva; Martínez-Estévez, Mónica; Benedí Visiedo, Andrea; Tejera-Ruiz, María; Marzo, Isabel; Gimeno, M. Concepción; Vazquez-Lopez, Ezequiel M.; García-Fontán, Soledad","Structure–activity insights into Benzimidazole-based Ir(III) cyclometallated complexes for cancer therapy","Dalton Transactions","2025","","","","","10.1039/D5DT02366A","","","0.71073","MoKα","","0.0921","0.0788","","","0.1903","0.2028","","","","","","1.072","","","","has coordinates,has disorder","304022","2025-12-04","00:06:20",""
"7719992","11.0268","0.0005","16.3686","0.0005","7.1958","0.0004","90","","103.765","0.005","90","","1261.49","0.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C3 H4 K N3 O4 -","- C3 H4 K N3 O4 -","- C24 H32 K8 N24 O32 -","8","1","","Ji, Bingheng; Chu, Chu; Zhang, Bingbing; Wang, Jian","A one-pot method in water to synthesize a new cyanurate K(H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)·H<sub>2</sub>O with large birefringence.","Dalton transactions (Cambridge, England : 2003)","2025","","","","","10.1039/d5dt02404h","","x-ray","0.71073","MoKα","","0.0634","0.0384","","","0.1005","0.1108","","","","","","1.03","","","","has coordinates","304136","2025-12-09","00:29:03",""